data_global
_audit_creation_date                               2018-11-23
_audit_creation_method                            'by CrystalStructure 4.2.4'
_audit_update_record                               ?
_publ_section_references
;
    ENTER OTHER REFERENCES

    Rigaku (2016). CrystalStructure. Version 4.2.4. 
    Rigaku Corporation, Tokyo, Japan.

    Altomare, A., Cascarano, G., Giacovazzo, C. and Guagliardi, A. 
    (1993). J. Appl. Cryst. 26, 343-350.
    SIR92

    Sheldrick, G.M. (2008) SHELXL Version 2016/4, Acta Cryst. A64, 112-122.

    Rigaku (1998). REQAB. 
    Rigaku Corporation, Tokyo, Japan.

;
#==============================================================================
data_complex7

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum                             'C18 H28 Cl N2 P2 V'
_chemical_formula_moiety                          'C18 H28 Cl N2 P2 V'
_chemical_formula_weight                           420.77

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system                        monoclinic
_space_group_name_H-M_alt                         'C 1 2 1'
_space_group_name_Hall                            'C 2y'
_space_group_IT_number                             5
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1   '+X,+Y,+Z'
2   '-X,+Y,-Z'
3   '1/2+X,1/2+Y,+Z'
4   '1/2-X,1/2+Y,-Z'
#------------------------------------------------------------------------------
_cell_length_a                                     17.735(10)
_cell_length_b                                     12.563(6)
_cell_length_c                                     13.175(8)
_cell_angle_alpha                                  90.0000
_cell_angle_beta                                   131.204(9)
_cell_angle_gamma                                  90.0000
_cell_volume                                       2209(2)
_cell_formula_units_Z                              4
_cell_measurement_reflns_used                      1756
_cell_measurement_theta_min                        3.10
_cell_measurement_theta_max                        27.40
_cell_measurement_temperature                      113
#------------------------------------------------------------------------------
_exptl_crystal_description                         block
_exptl_crystal_colour                              orange
_exptl_crystal_size_max                            0.110
_exptl_crystal_size_mid                            0.070
_exptl_crystal_size_min                            0.020
_exptl_crystal_density_diffrn                      1.265
_exptl_crystal_density_meas                        ?
_exptl_crystal_density_method                     'not measured'
_exptl_crystal_F_000                               880.00
_exptl_absorpt_coefficient_mu                      0.717
_exptl_absorpt_correction_type                     multi-scan
_exptl_absorpt_process_details                    'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min                    0.906
_exptl_absorpt_correction_T_max                    0.986

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature                        113
_diffrn_radiation_type                            'Mo K\a'
_diffrn_radiation_wavelength                       0.71075
_diffrn_measurement_device_type                   'Rigaku XtaLAB P200'
_diffrn_measurement_method                         ω
_diffrn_detector_area_resol_mean                   5.814
_diffrn_reflns_number                              25134
_diffrn_reflns_av_R_equivalents                    0.0559
_diffrn_reflns_theta_max                           27.538
_diffrn_reflns_theta_min                           3.053
_diffrn_reflns_theta_full                          25.242
_diffrn_measured_fraction_theta_max                0.997
_diffrn_measured_fraction_theta_full               0.998
_diffrn_reflns_Laue_measured_fraction_max          0.997
_diffrn_reflns_Laue_measured_fraction_full         0.998
_diffrn_reflns_point_group_measured_fraction_max   0.993
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_limit_h_min                        -22
_diffrn_reflns_limit_h_max                         22
_diffrn_reflns_limit_k_min                        -16
_diffrn_reflns_limit_k_max                         16
_diffrn_reflns_limit_l_min                        -17
_diffrn_reflns_limit_l_max                         16
_diffrn_standards_number                           0
_diffrn_standards_interval_count                   .
_diffrn_standards_decay_%                          ?
_reflns_number_total                               5071
_reflns_number_gt                                  4298
_reflns_threshold_expression                       F²>2.0σ(F²)
_reflns_Friedel_coverage          0.905
_reflns_Friedel_fraction_max      0.989
_reflns_Friedel_fraction_full     0.999

#==============================================================================
# REFINEMENT DATA

_refine_special_details
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef                   Fsqd
_refine_ls_R_factor_all                            0.0507
_refine_ls_R_factor_gt                             0.0346
_refine_ls_wR_factor_ref                           0.0592
_refine_ls_wR_factor_gt                            0.0548
_refine_ls_number_restraints                       1
_refine_ls_hydrogen_treatment                      constr
_refine_ls_number_reflns                           5071
_refine_ls_number_parameters                       219
_refine_ls_goodness_of_fit_ref                     1.054
_refine_ls_weighting_scheme                        calc
_refine_ls_weighting_details
           'w = 1/[σ²(Fo²)+(0.0181P)²+1.1960P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens                     geom
_atom_sites_solution_primary                       direct
_atom_sites_solution_secondary                     difmap
_refine_ls_shift/su_max                            0.000
_refine_diff_density_max                           0.26
_refine_diff_density_min                          -0.25
_refine_ls_extinction_method                       none
_refine_ls_extinction_coef                         ?
_refine_ls_abs_structure_details
;
 Flack x determined using 1719 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack                     0.027(12)

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'H' 'H'  0.0000 0.0000 
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
  'Cl' 'Cl'  0.1484 0.1585 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'N' 'N'  0.0061 0.0033 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'P' 'P'  0.1023 0.0942 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
  'V' 'V'  0.3005 0.5294 
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
V1 V 0.500000 0.72148(5) 0.500000 0.01318(19) Uani 1 2 d S T P . .
V2 V 0.500000 0.47230(5) 0.000000 0.01380(18) Uani 1 2 d S T P . .
CL1 Cl 0.500000 0.91463(8) 0.500000 0.0169(3) Uani 1 2 d S T P . .
CL2 Cl 0.500000 0.66486(8) 0.000000 0.0164(3) Uani 1 2 d S T P . .
P1 P 0.55515(7) 0.74706(7) 0.37295(9) 0.01827(19) Uani 1 1 d . . . . .
P2 P 0.32066(6) 0.49428(7) -0.11944(8) 0.01806(19) Uani 1 1 d . . . . .
N1 N 0.6021(2) 0.6455(2) 0.6182(3) 0.0182(6) Uani 1 1 d . . . . .
N2 N 0.5171(2) 0.3963(2) 0.1205(3) 0.0197(6) Uani 1 1 d . . . . .
C1 C 0.6630(2) 0.5572(3) 0.6852(3) 0.0195(7) Uani 1 1 d . . . . .
C2 C 0.6243(3) 0.4603(3) 0.6858(4) 0.0255(8) Uani 1 1 d . . . . .
H2 H 0.554620 0.453992 0.637406 0.031 Uiso 1 1 calc R U . . .
C3 C 0.6867(3) 0.3734(3) 0.7562(4) 0.0330(10) Uani 1 1 d . . . . .
H3 H 0.659631 0.308370 0.756666 0.040 Uiso 1 1 calc R U . . .
C4 C 0.7886(3) 0.3812(3) 0.8260(4) 0.0354(10) Uani 1 1 d . . . . .
H4 H 0.831374 0.321839 0.874831 0.043 Uiso 1 1 calc R U . . .
C5 C 0.8271(3) 0.4755(3) 0.8239(4) 0.0388(10) Uani 1 1 d . . . . .
H5 H 0.896468 0.480427 0.869995 0.047 Uiso 1 1 calc R U . . .
C6 C 0.7662(3) 0.5631(3) 0.7557(4) 0.0316(9) Uani 1 1 d . . . . .
H6 H 0.794165 0.627888 0.756444 0.038 Uiso 1 1 calc R U . . .
C7 C 0.6705(3) 0.8215(4) 0.4582(4) 0.0372(10) Uani 1 1 d . . . . .
H7A H 0.663460 0.892096 0.482731 0.045 Uiso 1 1 calc R U . . .
H7B H 0.725906 0.783357 0.539929 0.045 Uiso 1 1 calc R U . . .
H7C H 0.684502 0.829206 0.397931 0.045 Uiso 1 1 calc R U . . .
C8 C 0.4687(3) 0.8141(3) 0.2110(3) 0.0288(8) Uani 1 1 d . . . . .
H8A H 0.403000 0.779462 0.156263 0.035 Uiso 1 1 calc R U . . .
H8B H 0.462221 0.888857 0.225382 0.035 Uiso 1 1 calc R U . . .
H8C H 0.494350 0.810047 0.164160 0.035 Uiso 1 1 calc R U . . .
C9 C 0.5809(3) 0.6202(3) 0.3351(4) 0.0282(9) Uani 1 1 d . . . . .
H9A H 0.521817 0.574132 0.288364 0.034 Uiso 1 1 calc R U . . .
H9B H 0.596603 0.631867 0.277304 0.034 Uiso 1 1 calc R U . . .
H9C H 0.638007 0.586018 0.419302 0.034 Uiso 1 1 calc R U . . .
C10 C 0.5204(2) 0.3090(3) 0.1874(3) 0.0190(7) Uani 1 1 d . . . . .
C11 C 0.5653(2) 0.3163(3) 0.3235(3) 0.0244(7) Uani 1 1 d . . . . .
H11 H 0.594855 0.381382 0.370929 0.029 Uiso 1 1 calc R U . . .
C12 C 0.5665(3) 0.2289(3) 0.3886(4) 0.0353(10) Uani 1 1 d . . . . .
H12 H 0.596852 0.234929 0.480481 0.042 Uiso 1 1 calc R U . . .
C13 C 0.5246(3) 0.1330(3) 0.3226(4) 0.0346(10) Uani 1 1 d . . . . .
H13 H 0.526234 0.073440 0.368447 0.042 Uiso 1 1 calc R U . . .
C14 C 0.4799(3) 0.1251(3) 0.1880(5) 0.0332(10) Uani 1 1 d . . . . .
H14 H 0.450703 0.059662 0.141264 0.040 Uiso 1 1 calc R U . . .
C15 C 0.4778(3) 0.2116(3) 0.1219(4) 0.0259(8) Uani 1 1 d . . . . .
H15 H 0.446639 0.204859 0.029785 0.031 Uiso 1 1 calc R U . . .
C16 C 0.2431(2) 0.5684(3) -0.2766(3) 0.0280(8) Uani 1 1 d . . . . .
H16A H 0.251897 0.539669 -0.337349 0.034 Uiso 1 1 calc R U . . .
H16B H 0.172580 0.562113 -0.319119 0.034 Uiso 1 1 calc R U . . .
H16C H 0.262841 0.643557 -0.258232 0.034 Uiso 1 1 calc R U . . .
C17 C 0.2944(3) 0.5582(4) -0.0226(4) 0.0386(10) Uani 1 1 d . . . . .
H17A H 0.333196 0.523615 0.065694 0.046 Uiso 1 1 calc R U . . .
H17B H 0.312959 0.633599 -0.010005 0.046 Uiso 1 1 calc R U . . .
H17C H 0.222698 0.552155 -0.070892 0.046 Uiso 1 1 calc R U . . .
C18 C 0.2580(3) 0.3662(3) -0.1664(4) 0.0350(10) Uani 1 1 d . . . . .
H18A H 0.268783 0.326226 -0.219788 0.042 Uiso 1 1 calc R U . . .
H18B H 0.285371 0.325948 -0.084779 0.042 Uiso 1 1 calc R U . . .
H18C H 0.185992 0.377327 -0.220062 0.042 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection
                                'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_cell_refinement
                                               'CrystalClear-SM Expert 2.1 b45'
_computing_data_reduction
                                               'CrystalClear-SM Expert 2.1 b45'
_computing_structure_solution
                                               'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement
                                      'SHELXL Version 2016/4 (Sheldrick, 2008)'
_computing_publication_material
                                        'CrystalStructure 4.2.4 (Rigaku, 2016)'
_computing_molecular_graphics                     'CrystalStructure 4.2.4'

#==============================================================================
# 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
V1 N1 1.702(3) 2_656 ?
V1 N1 1.702(3) . ?
V1 CL1 2.4265(17) . ?
V1 P1 2.4533(14) . ?
V1 P1 2.4534(14) 2_656 ?
V2 N2 1.700(3) 2_655 ?
V2 N2 1.700(3) . ?
V2 CL2 2.4191(17) . ?
V2 P2 2.4646(18) 2_655 ?
V2 P2 2.4646(18) . ?
P1 C7 1.815(4) . ?
P1 C9 1.816(4) . ?
P1 C8 1.817(4) . ?
P2 C17 1.810(4) . ?
P2 C16 1.815(4) . ?
P2 C18 1.817(4) . ?
N1 C1 1.387(4) . ?
N2 C10 1.383(4) . ?
C1 C2 1.399(5) . ?
C1 C6 1.406(5) . ?
C2 C3 1.387(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.377(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.381(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C15 1.398(5) . ?
C10 C11 1.406(5) . ?
C11 C12 1.385(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.381(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.390(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.376(5) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?

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
N1 V1 N1 111.81(19) 2_656 . ?
N1 V1 CL1 124.09(10) 2_656 . ?
N1 V1 CL1 124.09(10) . . ?
N1 V1 P1 96.37(11) 2_656 . ?
N1 V1 P1 92.06(11) . . ?
CL1 V1 P1 82.47(3) . . ?
N1 V1 P1 92.06(11) 2_656 2_656 ?
N1 V1 P1 96.37(11) . 2_656 ?
CL1 V1 P1 82.47(3) . 2_656 ?
P1 V1 P1 164.94(5) . 2_656 ?
N2 V2 N2 111.7(2) 2_655 . ?
N2 V2 CL2 124.17(10) 2_655 . ?
N2 V2 CL2 124.17(10) . . ?
N2 V2 P2 91.17(10) 2_655 2_655 ?
N2 V2 P2 96.06(10) . 2_655 ?
CL2 V2 P2 83.57(3) . 2_655 ?
N2 V2 P2 96.06(10) 2_655 . ?
N2 V2 P2 91.17(10) . . ?
CL2 V2 P2 83.57(3) . . ?
P2 V2 P2 167.14(5) 2_655 . ?
C7 P1 C9 103.7(2) . . ?
C7 P1 C8 102.89(19) . . ?
C9 P1 C8 104.76(18) . . ?
C7 P1 V1 116.04(13) . . ?
C9 P1 V1 110.93(13) . . ?
C8 P1 V1 117.04(13) . . ?
C17 P2 C16 102.9(2) . . ?
C17 P2 C18 104.4(2) . . ?
C16 P2 C18 103.41(18) . . ?
C17 P2 V2 115.03(13) . . ?
C16 P2 V2 118.40(12) . . ?
C18 P2 V2 111.15(14) . . ?
C1 N1 V1 160.8(2) . . ?
C10 N2 V2 161.2(3) . . ?
N1 C1 C2 121.4(3) . . ?
N1 C1 C6 120.5(3) . . ?
C2 C1 C6 118.2(3) . . ?
C3 C2 C1 120.7(3) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 120.3(4) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 119.5(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 120.9(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 120.5(3) . . ?
C5 C6 H6 119.8 . . ?
C1 C6 H6 119.8 . . ?
P1 C7 H7A 109.5 . . ?
P1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
P1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P1 C8 H8A 109.5 . . ?
P1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
P1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P1 C9 H9A 109.5 . . ?
P1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
P1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C15 121.5(3) . . ?
N2 C10 C11 120.8(3) . . ?
C15 C10 C11 117.7(3) . . ?
C12 C11 C10 120.2(4) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C13 C12 C11 121.3(4) . . ?
C13 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C12 C13 C14 118.9(4) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
C15 C14 C13 120.3(4) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C10 121.5(4) . . ?
C14 C15 H15 119.2 . . ?
C10 C15 H15 119.2 . . ?
P2 C16 H16A 109.5 . . ?
P2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
P2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
P2 C17 H17A 109.5 . . ?
P2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
P2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P2 C18 H18A 109.5 . . ?
P2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
P2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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
N1 V1 N1 C1 5.6(7) 2_656 . . . ?
CL1 V1 N1 C1 -174.4(7) . . . . ?
P1 V1 N1 C1 -92.1(7) . . . . ?
P1 V1 N1 C1 100.4(7) 2_656 . . . ?
N2 V2 N2 C10 -12.0(7) 2_655 . . . ?
CL2 V2 N2 C10 168.0(7) . . . . ?
P2 V2 N2 C10 -105.7(7) 2_655 . . . ?
P2 V2 N2 C10 85.0(7) . . . . ?
V1 N1 C1 C2 -35.5(9) . . . . ?
V1 N1 C1 C6 145.0(6) . . . . ?
N1 C1 C2 C3 -178.3(3) . . . . ?
C6 C1 C2 C3 1.2(5) . . . . ?
C1 C2 C3 C4 -0.8(6) . . . . ?
C2 C3 C4 C5 -0.5(6) . . . . ?
C3 C4 C5 C6 1.4(6) . . . . ?
C4 C5 C6 C1 -0.9(6) . . . . ?
N1 C1 C6 C5 179.2(3) . . . . ?
C2 C1 C6 C5 -0.4(5) . . . . ?
V2 N2 C10 C15 -11.0(9) . . . . ?
V2 N2 C10 C11 170.3(6) . . . . ?
N2 C10 C11 C12 178.8(3) . . . . ?
C15 C10 C11 C12 0.1(5) . . . . ?
C10 C11 C12 C13 0.3(5) . . . . ?
C11 C12 C13 C14 -0.4(6) . . . . ?
C12 C13 C14 C15 0.1(6) . . . . ?
C13 C14 C15 C10 0.3(6) . . . . ?
N2 C10 C15 C14 -179.1(3) . . . . ?
C11 C10 C15 C14 -0.4(5) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
