################################################################################
#                                                                              #
#------------------------------------------------------------------------------#
#                                                                              #
#         CIF file created and formatted by CRYSCALC (ver. Jan. 2018)          #
#                                                                              #
# Date of archive creation: 26-01-2018 at 16:39:58                             #
#                                                                              #
#------------------------------------------------------------------------------#
#                                                                              #
# Input CIF files:                                                             #
#  1. job.cif                                                                  #
#  2. import.cif                                                               #
#                                                                              #
#------------------------------------------------------------------------------#
#                                                                              #
# Date of experiment: ?                                                        #
# Experimenter      : Thierry ROISNEL [CDIFX/ISCR]                             #
#                                                                              #
# Instrument        : APEXII, Bruker-AXS                                       #
# Laboratory        : CDIFX/ISCR (UMR6226 Rennes)                              #
# Sample ID         : job                                                      #
#                                                                              #
#------------------------------------------------------------------------------#
#                                                                              #
################################################################################


data_JOB


#------------------------------------------------------------------------------#
#                             CHEMICAL INFORMATION                             #
#------------------------------------------------------------------------------#


_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety              'C24 H18 Si'
_chemical_formula_sum                 'C24 H18 Si'
_chemical_formula_weight               334.47
_chemical_compound_source             'synthesis as described'
_chemical_absolute_configuration      'ad'

#------------------------------------------------------------------------------#
#                            UNIT CELL INFORMATION                             #
#------------------------------------------------------------------------------#


_space_group_crystal_system              orthorhombic
_space_group_name_H-M_alt                'P 21 21 21'
_space_group_name_Hall                   'P 2ac 2ab'
_space_group_IT_number                    19
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, y+1/2, -z+1/2'

_cell_length_a                         9.0297(3)
_cell_length_b                         10.1542(3)
_cell_length_c                         19.3621(6)
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      90
_cell_volume                           1775.30(10)
_cell_formula_units_Z                 4
_cell_measurement_temperature         150
_cell_measurement_reflns_used            9907
_cell_measurement_theta_min              2.26
_cell_measurement_theta_max             27.50
_cell_measurement_wavelength           0.71073

#------------------------------------------------------------------------------#
#                             CRYSTAL INFORMATION                              #
#------------------------------------------------------------------------------#

_exptl_crystal_description             prism
_exptl_crystal_colour                  colourless
_exptl_crystal_size_max                 0.570
_exptl_crystal_size_mid                 0.480
_exptl_crystal_size_min                 0.350
_exptl_crystal_density_meas           ?
_exptl_crystal_density_diffrn         1.251
_exptl_crystal_density_method         ?
_exptl_crystal_F_000                  704
_exptl_special_details
;
 ?
;

#------------------------------------------------------------------------------#
#                            ABSORPTION CORRECTION                             #
#------------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu                         0.135
_exptl_absorpt_correction_type                       multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min                         0.895
_exptl_absorpt_correction_T_max                         0.954

#------------------------------------------------------------------------------#
#                               DATA COLLECTION                                #
#------------------------------------------------------------------------------#

_diffrn_measurement_device_type        'APEXII, Bruker-AXS'
_diffrn_measurement_method             'CCD rotation images, thin slices'
_diffrn_detector                       'CCD plate'
_diffrn_ambient_temperature             150
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_probe                 x-ray
_diffrn_radiation_source                'fine-focus sealed tube'
_diffrn_radiation_monochromator         graphite
_diffrn_reflns_av_r_equivalents         0.0277
_diffrn_reflns_av_uneti/neti            0.0165
_diffrn_reflns_number                   27809
_diffrn_reflns_limit_h_min              -11
_diffrn_reflns_limit_h_max              11
_diffrn_reflns_limit_k_min              -13
_diffrn_reflns_limit_k_max              13
_diffrn_reflns_limit_l_min              -24
_diffrn_reflns_limit_l_max              25
_diffrn_reflns_theta_min                3.019
_diffrn_reflns_theta_max                27.522
_diffrn_reflns_theta_full               25.242
_diffrn_measured_fraction_theta_full    0.998
_diffrn_measured_fraction_theta_max     0.998
_reflns_number_total                    4086
_reflns_number_gt                       3883
_reflns_threshold_expression            >2sigma(I)
_reflns_Friedel_coverage                0.749
_reflns_Friedel_fraction_max            0.999
_reflns_Friedel_fraction_full           1.000

_reflns_special_details
;
Reflections were merged by SHELXL according to the crystal
class for the calculation of statistics and refinement.

_reflns_Friedel_fraction is defined as the number of unique
Friedel pairs measured divided by the number that would be
possible theoretically, ignoring centric projections and
systematic absences.
;

#------------------------------------------------------------------------------#
#                            COMPUTER PROGRAMS USED                            #
#------------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'SXGRAPH (Farrugia, 1999), Mercury (CSD, 2016)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2018)'

#------------------------------------------------------------------------------#
#                            REFINEMENT INFORMATION                            #
#------------------------------------------------------------------------------#

_refine_special_details
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
        'w=1/[σ²(Fo²)+(0.0484P)²+0.3190P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary            ?
_atom_sites_solution_secondary          ?
_atom_sites_solution_hydrogens          geom
_refine_ls_hydrogen_treatment           constr
_refine_ls_extinction_method            none
_refine_ls_extinction_coef              .
_refine_ls_number_reflns                4086
_refine_ls_number_parameters            228
_refine_ls_number_restraints            0
_refine_ls_R_factor_all                 0.0325
_refine_ls_R_factor_gt                  0.0303
_refine_ls_wR_factor_ref                0.0830
_refine_ls_wR_factor_gt                 0.0812
_refine_ls_goodness_of_fit_ref          1.047
_refine_ls_restrained_S_all             1.047
_refine_ls_shift/su_max                 0.006
_refine_ls_shift/su_mean                0.001
_refine_diff_density_max                0.240
_refine_diff_density_min                -0.183
_refine_diff_density_rms                0.037
_refine_ls_abs_structure_details
;
Flack x determined using 1623 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack          -0.04(3)

#...............................................................................
# .RES SHELXL file: job.res
#...............................................................................



# ............... End of .RES file ........................................... #
#------------------------------------------------------------------------------#

#...............................................................................
# .HKL SHELXL file: job.hkl
#...............................................................................



# ............... End of .HKL file ........................................... #
#------------------------------------------------------------------------------#
#------------------------------------------------------------------------------#

#------------------------------------------------------------------------------#
#               ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS               #
#------------------------------------------------------------------------------#

loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
C   C    0.0033  0.0016  'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H   H    0.0000  0.0000  'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si  Si   0.0817  0.0704  'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_occupancy
    _atom_site_site_symmetry_order
    _atom_site_calc_flag
    _atom_site_refinement_flags_posn
    _atom_site_refinement_flags_adp
    _atom_site_refinement_flags_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
C1   C   0.6188(2)    0.7873(2)    0.86659(11)  0.0411(5)   Uani 1 1 d    .     . . . .
H1A  H   0.607153     0.706228     0.839668     0.062       Uiso 1 1 calc R     U . . .
H1B  H   0.588917     0.862976     0.838431     0.062       Uiso 1 1 calc R     U . . .
H1C  H   0.556416     0.782751     0.907940     0.062       Uiso 1 1 calc R     U . . .
C2   C   0.8574(3)    0.9777(2)    0.92023(12)  0.0431(5)   Uani 1 1 d    .     . . . .
H2A  H   0.790270     1.003046     0.957689     0.065       Uiso 1 1 calc R     U . . .
H2B  H   0.844041     1.037584     0.881044     0.065       Uiso 1 1 calc R     U . . .
H2C  H   0.960044     0.982693     0.936506     0.065       Uiso 1 1 calc R     U . . .
C11  C   0.9565(2)    0.73914(19)  0.83145(9)   0.0272(4)   Uani 1 1 d    .     . . . .
C12  C   1.0049(2)    0.7871(2)    0.76798(10)  0.0324(4)   Uani 1 1 d    .     . . . .
H12  H   0.951403     0.855685     0.745844     0.039       Uiso 1 1 calc R     U . . .
C13  C   1.1312(2)    0.7354(2)    0.73654(10)  0.0357(5)   Uani 1 1 d    .     . . . .
H13  H   1.161061     0.765695     0.692248     0.043       Uiso 1 1 calc R     U . . .
C14  C   1.2122(2)    0.6403(2)    0.77019(11)  0.0353(5)   Uani 1 1 d    .     . . . .
H14  H   1.301456     0.608999     0.750044     0.042       Uiso 1 1 calc R     U . . .
C15  C   1.1657(2)    0.58908(19)  0.83316(10)  0.0299(4)   Uani 1 1 d    .     . . . .
H15  H   1.223610     0.524025     0.855843     0.036       Uiso 1 1 calc R     U . . .
C16  C   1.0337(2)    0.63327(18)  0.86320(9)   0.0246(4)   Uani 1 1 d    .     . . . .
C17  C   0.96860(19)  0.58855(17)  0.93056(9)   0.0230(3)   Uani 1 1 d    .     . . . .
C18  C   0.99892(19)  0.47014(17)  0.96616(9)   0.0234(3)   Uani 1 1 d    .     . . . .
C19  C   1.0827(2)    0.36204(19)  0.93804(10)  0.0280(4)   Uani 1 1 d    .     . . . .
H19  H   1.121274     0.369075     0.892539     0.034       Uiso 1 1 calc R     U . . .
C20  C   1.1081(2)    0.2510(2)    0.97451(10)  0.0318(4)   Uani 1 1 d    .     . . . .
H20  H   1.160922     0.180965     0.953253     0.038       Uiso 1 1 calc R     U . . .
C21  C   1.0579(2)    0.23527(18)  1.04420(10)  0.0284(4)   Uani 1 1 d    .     . . . .
C22  C   1.0892(2)    0.1228(2)    1.08292(12)  0.0354(5)   Uani 1 1 d    .     . . . .
H22  H   1.149580     0.055270     1.063949     0.042       Uiso 1 1 calc R     U . . .
C23  C   1.0322(3)    0.1094(2)    1.14906(12)  0.0409(5)   Uani 1 1 d    .     . . . .
H23  H   1.055380     0.033210     1.175429     0.049       Uiso 1 1 calc R     U . . .
C24  C   0.9420(3)    0.2059(2)    1.17708(10)  0.0382(5)   Uani 1 1 d    .     . . . .
H24  H   0.902331     0.194067     1.222099     0.046       Uiso 1 1 calc R     U . . .
C25  C   0.9082(2)    0.3203(2)    1.14024(9)   0.0303(4)   Uani 1 1 d    .     . . . .
C26  C   0.8126(2)    0.4202(2)    1.16718(10)  0.0331(4)   Uani 1 1 d    .     . . . .
H26  H   0.772922     0.410848     1.212349     0.040       Uiso 1 1 calc R     U . . .
C27  C   0.7780(2)    0.5275(2)    1.12941(10)  0.0301(4)   Uani 1 1 d    .     . . . .
H27  H   0.713368     0.591876     1.148353     0.036       Uiso 1 1 calc R     U . . .
C28  C   0.8364(2)    0.54645(18)  1.06142(9)   0.0247(4)   Uani 1 1 d    .     . . . .
C29  C   0.93543(19)  0.45208(17)  1.03335(9)   0.0228(4)   Uani 1 1 d    .     . . . .
C30  C   0.9686(2)    0.33647(17)  1.07256(9)   0.0255(4)   Uani 1 1 d    .     . . . .
C31  C   0.7979(2)    0.65582(18)  1.02134(9)   0.0265(4)   Uani 1 1 d    .     . . . .
H31  H   0.726354     0.716384     1.038268     0.032       Uiso 1 1 calc R     U . . .
C32  C   0.86216(19)  0.67727(17)  0.95742(9)   0.0246(4)   Uani 1 1 d    .     . . . .
Si1  Si  0.81558(6)   0.80615(5)   0.89258(3)   0.02801(13) Uani 1 1 d    .     . . . .



#------------------------------------------------------------------------------#
#                              MOLECULAR GEOMETRY                              #
#------------------------------------------------------------------------------#

_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_distance
    _geom_bond_site_symmetry_2
    _geom_bond_publ_flag
C1   Si1  1.857(2)    .           ?
C1   H1A  0.9800      .           ?
C1   H1B  0.9800      .           ?
C1   H1C  0.9800      .           ?
C2   Si1  1.861(2)    .           ?
C2   H2A  0.9800      .           ?
C2   H2B  0.9800      .           ?
C2   H2C  0.9800      .           ?
C11  C12  1.392(3)    .           ?
C11  C16  1.421(3)    .           ?
C11  Si1  1.8662(19)  .           ?
C12  C13  1.395(3)    .           ?
C12  H12  0.9500      .           ?
C13  C14  1.376(3)    .           ?
C13  H13  0.9500      .           ?
C14  C15  1.390(3)    .           ?
C14  H14  0.9500      .           ?
C15  C16  1.400(3)    .           ?
C15  H15  0.9500      .           ?
C16  C17  1.501(2)    .           ?
C17  C18  1.413(2)    .           ?
C17  C32  1.416(2)    .           ?
C18  C29  1.433(2)    .           ?
C18  C19  1.440(2)    .           ?
C19  C20  1.350(3)    .           ?
C19  H19  0.9500      .           ?
C20  C21  1.432(3)    .           ?
C20  H20  0.9500      .           ?
C21  C22  1.395(3)    .           ?
C21  C30  1.417(3)    .           ?
C22  C23  1.386(3)    .           ?
C22  H22  0.9500      .           ?
C23  C24  1.385(3)    .           ?
C23  H23  0.9500      .           ?
C24  C25  1.397(3)    .           ?
C24  H24  0.9500      .           ?
C25  C30  1.429(3)    .           ?
C25  C26  1.430(3)    .           ?
C26  C27  1.349(3)    .           ?
C26  H26  0.9500      .           ?
C27  C28  1.431(3)    .           ?
C27  H27  0.9500      .           ?
C28  C31  1.399(3)    .           ?
C28  C29  1.419(2)    .           ?
C29  C30  1.430(2)    .           ?
C31  C32  1.384(3)    .           ?
C31  H31  0.9500      .           ?
C32  Si1  1.8616(19)  .           ?

loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle_publ_flag
Si1  C1   H1A  109.5        .       .       ?
Si1  C1   H1B  109.5        .       .       ?
H1A  C1   H1B  109.5        .       .       ?
Si1  C1   H1C  109.5        .       .       ?
H1A  C1   H1C  109.5        .       .       ?
H1B  C1   H1C  109.5        .       .       ?
Si1  C2   H2A  109.5        .       .       ?
Si1  C2   H2B  109.5        .       .       ?
H2A  C2   H2B  109.5        .       .       ?
Si1  C2   H2C  109.5        .       .       ?
H2A  C2   H2C  109.5        .       .       ?
H2B  C2   H2C  109.5        .       .       ?
C12  C11  C16  119.49(17)   .       .       ?
C12  C11  Si1  130.28(15)   .       .       ?
C16  C11  Si1  109.62(13)   .       .       ?
C11  C12  C13  120.70(19)   .       .       ?
C11  C12  H12  119.7        .       .       ?
C13  C12  H12  119.7        .       .       ?
C14  C13  C12  119.47(18)   .       .       ?
C14  C13  H13  120.3        .       .       ?
C12  C13  H13  120.3        .       .       ?
C13  C14  C15  121.16(19)   .       .       ?
C13  C14  H14  119.4        .       .       ?
C15  C14  H14  119.4        .       .       ?
C14  C15  C16  120.10(19)   .       .       ?
C14  C15  H15  120.0        .       .       ?
C16  C15  H15  120.0        .       .       ?
C15  C16  C11  118.71(17)   .       .       ?
C15  C16  C17  126.68(17)   .       .       ?
C11  C16  C17  114.38(16)   .       .       ?
C18  C17  C32  119.58(16)   .       .       ?
C18  C17  C16  127.28(16)   .       .       ?
C32  C17  C16  113.10(16)   .       .       ?
C17  C18  C29  118.31(16)   .       .       ?
C17  C18  C19  124.48(16)   .       .       ?
C29  C18  C19  117.11(16)   .       .       ?
C20  C19  C18  121.88(17)   .       .       ?
C20  C19  H19  119.1        .       .       ?
C18  C19  H19  119.1        .       .       ?
C19  C20  C21  122.15(18)   .       .       ?
C19  C20  H20  118.9        .       .       ?
C21  C20  H20  118.9        .       .       ?
C22  C21  C30  120.04(18)   .       .       ?
C22  C21  C20  122.24(19)   .       .       ?
C30  C21  C20  117.67(17)   .       .       ?
C23  C22  C21  120.1(2)     .       .       ?
C23  C22  H22  119.9        .       .       ?
C21  C22  H22  119.9        .       .       ?
C22  C23  C24  120.68(19)   .       .       ?
C22  C23  H23  119.7        .       .       ?
C24  C23  H23  119.7        .       .       ?
C23  C24  C25  121.12(19)   .       .       ?
C23  C24  H24  119.4        .       .       ?
C25  C24  H24  119.4        .       .       ?
C24  C25  C30  118.72(19)   .       .       ?
C24  C25  C26  122.36(18)   .       .       ?
C30  C25  C26  118.90(17)   .       .       ?
C27  C26  C25  121.00(18)   .       .       ?
C27  C26  H26  119.5        .       .       ?
C25  C26  H26  119.5        .       .       ?
C26  C27  C28  121.46(18)   .       .       ?
C26  C27  H27  119.3        .       .       ?
C28  C27  H27  119.3        .       .       ?
C31  C28  C29  118.72(16)   .       .       ?
C31  C28  C27  121.69(17)   .       .       ?
C29  C28  C27  119.59(17)   .       .       ?
C28  C29  C30  118.90(16)   .       .       ?
C28  C29  C18  120.88(16)   .       .       ?
C30  C29  C18  120.20(16)   .       .       ?
C21  C30  C25  119.30(17)   .       .       ?
C21  C30  C29  120.60(16)   .       .       ?
C25  C30  C29  120.07(17)   .       .       ?
C32  C31  C28  121.10(16)   .       .       ?
C32  C31  H31  119.5        .       .       ?
C28  C31  H31  119.5        .       .       ?
C31  C32  C17  120.85(16)   .       .       ?
C31  C32  Si1  128.22(14)   .       .       ?
C17  C32  Si1  110.66(13)   .       .       ?
C1   Si1  C2   111.65(11)   .       .       ?
C1   Si1  C32  109.06(10)   .       .       ?
C2   Si1  C32  114.71(10)   .       .       ?
C1   Si1  C11  116.29(9)    .       .       ?
C2   Si1  C11  112.66(10)   .       .       ?
C32  Si1  C11   90.99(8)    .       .       ?

loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion_publ_flag
C16  C11  C12  C13    -2.3(3)     .       .       .       .       ?
Si1  C11  C12  C13   167.76(16)   .       .       .       .       ?
C11  C12  C13  C14    -2.9(3)     .       .       .       .       ?
C12  C13  C14  C15     3.8(3)     .       .       .       .       ?
C13  C14  C15  C16     0.6(3)     .       .       .       .       ?
C14  C15  C16  C11    -5.8(3)     .       .       .       .       ?
C14  C15  C16  C17  -179.84(18)   .       .       .       .       ?
C12  C11  C16  C15     6.6(3)     .       .       .       .       ?
Si1  C11  C16  C15  -165.37(14)   .       .       .       .       ?
C12  C11  C16  C17  -178.64(17)   .       .       .       .       ?
Si1  C11  C16  C17     9.41(19)   .       .       .       .       ?
C15  C16  C17  C18   -20.7(3)     .       .       .       .       ?
C11  C16  C17  C18   164.97(17)   .       .       .       .       ?
C15  C16  C17  C32   161.54(18)   .       .       .       .       ?
C11  C16  C17  C32   -12.7(2)     .       .       .       .       ?
C32  C17  C18  C29    -8.4(2)     .       .       .       .       ?
C16  C17  C18  C29   174.02(16)   .       .       .       .       ?
C32  C17  C18  C19   167.84(17)   .       .       .       .       ?
C16  C17  C18  C19    -9.7(3)     .       .       .       .       ?
C17  C18  C19  C20  -179.91(18)   .       .       .       .       ?
C29  C18  C19  C20    -3.6(3)     .       .       .       .       ?
C18  C19  C20  C21    -2.2(3)     .       .       .       .       ?
C19  C20  C21  C22  -177.32(19)   .       .       .       .       ?
C19  C20  C21  C30     5.3(3)     .       .       .       .       ?
C30  C21  C22  C23     0.4(3)     .       .       .       .       ?
C20  C21  C22  C23  -176.9(2)     .       .       .       .       ?
C21  C22  C23  C24     1.1(3)     .       .       .       .       ?
C22  C23  C24  C25    -1.3(3)     .       .       .       .       ?
C23  C24  C25  C30     0.1(3)     .       .       .       .       ?
C23  C24  C25  C26   178.50(19)   .       .       .       .       ?
C24  C25  C26  C27  -177.65(19)   .       .       .       .       ?
C30  C25  C26  C27     0.8(3)     .       .       .       .       ?
C25  C26  C27  C28    -0.7(3)     .       .       .       .       ?
C26  C27  C28  C31   178.33(18)   .       .       .       .       ?
C26  C27  C28  C29    -1.3(3)     .       .       .       .       ?
C31  C28  C29  C30  -176.52(16)   .       .       .       .       ?
C27  C28  C29  C30     3.2(2)     .       .       .       .       ?
C31  C28  C29  C18     2.0(3)     .       .       .       .       ?
C27  C28  C29  C18  -178.29(16)   .       .       .       .       ?
C17  C18  C29  C28     4.3(2)     .       .       .       .       ?
C19  C18  C29  C28  -172.18(16)   .       .       .       .       ?
C17  C18  C29  C30  -177.13(16)   .       .       .       .       ?
C19  C18  C29  C30     6.4(2)     .       .       .       .       ?
C22  C21  C30  C25    -1.6(3)     .       .       .       .       ?
C20  C21  C30  C25   175.84(17)   .       .       .       .       ?
C22  C21  C30  C29  -179.84(17)   .       .       .       .       ?
C20  C21  C30  C29    -2.4(3)     .       .       .       .       ?
C24  C25  C30  C21     1.4(3)     .       .       .       .       ?
C26  C25  C30  C21  -177.10(17)   .       .       .       .       ?
C24  C25  C30  C29   179.60(18)   .       .       .       .       ?
C26  C25  C30  C29     1.1(3)     .       .       .       .       ?
C28  C29  C30  C21   175.15(16)   .       .       .       .       ?
C18  C29  C30  C21    -3.4(3)     .       .       .       .       ?
C28  C29  C30  C25    -3.1(2)     .       .       .       .       ?
C18  C29  C30  C25   178.38(16)   .       .       .       .       ?
C29  C28  C31  C32    -4.4(3)     .       .       .       .       ?
C27  C28  C31  C32   175.94(17)   .       .       .       .       ?
C28  C31  C32  C17     0.3(3)     .       .       .       .       ?
C28  C31  C32  Si1   173.89(14)   .       .       .       .       ?
C18  C17  C32  C31     6.3(3)     .       .       .       .       ?
C16  C17  C32  C31  -175.82(16)   .       .       .       .       ?
C18  C17  C32  Si1  -168.35(13)   .       .       .       .       ?
C16  C17  C32  Si1     9.56(18)   .       .       .       .       ?
C31  C32  Si1  C1    -59.5(2)     .       .       .       .       ?
C17  C32  Si1  C1    114.67(13)   .       .       .       .       ?
C31  C32  Si1  C2     66.6(2)     .       .       .       .       ?
C17  C32  Si1  C2   -119.27(14)   .       .       .       .       ?
C31  C32  Si1  C11  -177.79(18)   .       .       .       .       ?
C17  C32  Si1  C11    -3.67(13)   .       .       .       .       ?
C12  C11  Si1  C1     74.0(2)     .       .       .       .       ?
C16  C11  Si1  C1   -115.23(15)   .       .       .       .       ?
C12  C11  Si1  C2    -56.7(2)     .       .       .       .       ?
C16  C11  Si1  C2    114.07(15)   .       .       .       .       ?
C12  C11  Si1  C32  -174.14(19)   .       .       .       .       ?
C16  C11  Si1  C32    -3.34(14)   .       .       .       .       ?

#------------------------------------------------------------------------------#
#===END OF CIF FILE FOR JOB                                                    #
#------------------------------------------------------------------------------#
#                                                                              #
################################################################################
