data_fcpdi
_audit_creation_date               2019-06-12
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C29 H27 Fe2 N3'
_chemical_formula_sum              'C29 H27 Fe2 N3'
_chemical_formula_weight           529.23
_chemical_melting_point            ?
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'
 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/n 1'
_space_group_name_Hall             '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                     7.2758(3)
_cell_length_b                     16.0172(6)
_cell_length_c                     18.8537(8)
_cell_angle_alpha                  90
_cell_angle_beta                   92.993(2)
_cell_angle_gamma                  90
_cell_volume                       2194.18(15)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9982
_cell_measurement_temperature      100(2)
_cell_measurement_theta_max        30.517
_cell_measurement_theta_min        2.510
_shelx_estimated_absorpt_T_max     0.933
_shelx_estimated_absorpt_T_min     0.705
_exptl_absorpt_coefficient_mu      1.347
_exptl_absorpt_correction_T_max    ?
_exptl_absorpt_correction_T_min    ?
_exptl_absorpt_correction_type     'none'
_exptl_absorpt_process_details     ?
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              red
_exptl_crystal_colour_primary      red
_exptl_crystal_density_diffrn      1.602
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         'needle'
_exptl_crystal_F_000               1096
_exptl_crystal_size_max            0.279
_exptl_crystal_size_mid            0.098
_exptl_crystal_size_min            0.052
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0638
_diffrn_reflns_av_unetI/netI       0.0394
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  0.997
_diffrn_reflns_limit_h_max         10
_diffrn_reflns_limit_h_min         -10
_diffrn_reflns_limit_k_max         22
_diffrn_reflns_limit_k_min         -22
_diffrn_reflns_limit_l_max         26
_diffrn_reflns_limit_l_min         -26
_diffrn_reflns_number              45585
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  0.997
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           30.549
_diffrn_reflns_theta_min           1.669
_diffrn_ambient_temperature        99.99
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  0.997
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  5729
_reflns_number_total               6708
_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.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.38A (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'XS (Sheldrick, 2008)'
_refine_diff_density_max           0.588
_refine_diff_density_min           -0.410
_refine_diff_density_rms           0.078
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.048
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       309
_refine_ls_number_reflns           6708
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0386
_refine_ls_R_factor_gt             0.0309
_refine_ls_restrained_S_all        1.048
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0358P)²+1.0536P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0779
_refine_ls_wR_factor_ref           0.0819
_refine_special_details            ?
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H2B(0.015) H5AA(0.02) H5AB(0.02) H5AC(0.02) H2A(0.015)
 H10A(0.013) H13B(0.017) H9A(0.014) H14B(0.017) H13A(0.015) H12A(0.017)
 H7B(0.014) H14A(0.015) H15B(0.017) H8A(0.014) H11A(0.018) H8B(0.015)
 H11B(0.016) H9B(0.015) H12B(0.016) H1(0.016) H7A(0.013) H10B(0.014)
 H15A(0.017) H5BA(0.032) H5BB(0.032) H5BC(0.032)
 Fixed X: H2B(-0.204029) H5AA(0.33044) H5AB(0.377295) H5AC(0.401691) H2A(-
 0.211699) H10A(-0.046385) H13B(0.68341) H9A(0.095743) H14B(0.452062)
 H13A(0.650902) H12A(0.6565) H7B(0.334032) H14A(0.418852) H15B(0.287185)
 H8A(0.318979) H11A(0.425726) H8B(0.356669) H11B(0.416304) H9B(0.136442)
 H12B(0.661617) H1(-0.35768) H7A(0.323594) H10B(-0.027756) H15A(0.277527)
 H5BA(0.405817) H5BB(0.371543) H5BC(0.316273)
 Fixed Y: H2B(0.51742) H5AA(0.575949) H5AB(0.602634) H5AC(0.668446)
 H2A(0.679845) H10A(0.851354) H13B(0.309907) H9A(0.879371) H14B(0.360512)
 H13A(0.867788) H12A(0.782552) H7B(0.286338) H14A(0.984484) H15B(0.487149)
 H8A(0.762399) H11A(0.846522) H8B(0.187182) H11B(0.513731) H9B(0.236976)
 H12B(0.404364) H1(0.621293) H7A(0.663114) H10B(0.36588) H15A(0.971263)
 H5BA(0.419391) H5BB(0.480456) H5BC(0.383964)
 Fixed Z: H2B(0.189523) H5AA(-0.058876) H5AB(0.021848) H5AC(-0.040831)
 H2A(0.023928) H10A(-0.125162) H13B(0.398079) H9A(-0.242767) H14B(0.484797)
 H13A(-0.186471) H12A(-0.072239) H7B(0.211339) H14A(-0.175791) H15B(0.430029)
 H8A(-0.265936) H11A(0.008119) H8B(0.316393) H11B(0.309344) H9B(0.407676)
 H12B(0.28947) H1(0.120709) H7A(-0.160727) H10B(0.358601) H15A(-0.055838)
 H5BA(0.190839) H5BB(0.124277) H5BC(0.117564)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       direct
_atom_sites_solution_secondary     ?
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
 Fe1B Fe 0.34152(3) 0.35406(2) 0.34383(2) 0.00863(6) Uani 1 1 d . . . . .
 Fe1A Fe 0.32288(3) 0.82945(2) -0.13286(2) 0.00864(6) Uani 1 1 d . . . . .
 N2B N 0.05490(17) 0.41891(7) 0.22570(6) 0.0098(2) Uani 1 1 d . . . . .
 N2A N 0.04575(17) 0.70468(8) -0.05748(7) 0.0106(2) Uani 1 1 d . . . . .
 C2B C -0.1469(2) 0.54245(9) 0.15065(8) 0.0125(3) Uani 1 1 d . . . . .
 H2B H -0.204029 0.517420 0.189523 0.015 Uiso 1 1 calc R . . . .
 C5A C 0.3273(2) 0.62186(10) -0.02460(8) 0.0134(3) Uani 1 1 d . . . . .
 H5AA H 0.330440 0.575949 -0.058876 0.020 Uiso 1 1 calc GR . . . .
 H5AB H 0.377295 0.602634 0.021848 0.020 Uiso 1 1 calc GR . . . .
 H5AC H 0.401691 0.668446 -0.040831 0.020 Uiso 1 1 calc GR . . . .
 C2A C -0.1510(2) 0.63900(9) 0.05321(8) 0.0126(3) Uani 1 1 d . . . . .
 H2A H -0.211699 0.679845 0.023928 0.015 Uiso 1 1 calc R . . . .
 C3B C 0.0296(2) 0.51851(9) 0.13330(8) 0.0102(3) Uani 1 1 d . . . . .
 C10A C 0.0423(2) 0.81730(9) -0.14648(8) 0.0106(3) Uani 1 1 d . . . . .
 H10A H -0.046385 0.851354 -0.125162 0.013 Uiso 1 1 calc R . . . .
 C13B C 0.6027(2) 0.35617(10) 0.39117(9) 0.0144(3) Uani 1 1 d . . . . .
 H13B H 0.683410 0.309907 0.398079 0.017 Uiso 1 1 calc R . . . .
 N1 N 0.11538(18) 0.55391(8) 0.07924(7) 0.0109(2) Uani 1 1 d . . . . .
 C9A C 0.1222(2) 0.83305(9) -0.21246(8) 0.0113(3) Uani 1 1 d . . . . .
 H9A H 0.095743 0.879371 -0.242767 0.014 Uiso 1 1 calc R . . . .
 C6B C 0.1302(2) 0.35272(9) 0.26690(8) 0.0103(3) Uani 1 1 d . . . . .
 C6A C 0.1184(2) 0.74150(9) -0.11776(8) 0.0102(3) Uani 1 1 d . . . . .
 C14B C 0.4732(2) 0.38451(10) 0.43987(8) 0.0139(3) Uani 1 1 d . . . . .
 H14B H 0.452062 0.360512 0.484797 0.017 Uiso 1 1 calc R . . . .
 C13A C 0.5784(2) 0.87787(10) -0.14688(8) 0.0127(3) Uani 1 1 d . . . . .
 H13A H 0.650902 0.867788 -0.186471 0.015 Uiso 1 1 calc R . . . .
 C12A C 0.5815(2) 0.82993(10) -0.08282(9) 0.0145(3) Uani 1 1 d . . . . .
 H12A H 0.656500 0.782552 -0.072239 0.017 Uiso 1 1 calc R . . . .
 C3A C 0.0270(2) 0.61310(9) 0.04028(7) 0.0100(3) Uani 1 1 d . . . . .
 C7B C 0.2656(2) 0.29003(9) 0.25277(8) 0.0116(3) Uani 1 1 d . . . . .
 H7B H 0.334032 0.286338 0.211339 0.014 Uiso 1 1 calc R . . . .
 C14A C 0.4482(2) 0.94310(9) -0.14092(8) 0.0123(3) Uani 1 1 d . . . . .
 H14A H 0.418852 0.984484 -0.175791 0.015 Uiso 1 1 calc R . . . .
 C15B C 0.3806(2) 0.45549(10) 0.40911(8) 0.0140(3) Uani 1 1 d . . . . .
 H15B H 0.287185 0.487149 0.430029 0.017 Uiso 1 1 calc R . . . .
 C8A C 0.2480(2) 0.76777(9) -0.22530(8) 0.0115(3) Uani 1 1 d . . . . .
 H8A H 0.318979 0.762399 -0.265936 0.014 Uiso 1 1 calc R . . . .
 C11A C 0.4523(2) 0.86581(10) -0.03788(8) 0.0146(3) Uani 1 1 d . . . . .
 H11A H 0.425726 0.846522 0.008119 0.018 Uiso 1 1 calc R . . . .
 C8B C 0.2786(2) 0.23462(9) 0.31184(8) 0.0125(3) Uani 1 1 d . . . . .
 H8B H 0.356669 0.187182 0.316393 0.015 Uiso 1 1 calc R . . . .
 C11B C 0.4532(2) 0.47040(9) 0.34142(8) 0.0132(3) Uani 1 1 d . . . . .
 H11B H 0.416304 0.513731 0.309344 0.016 Uiso 1 1 calc R . . . .
 C9B C 0.1546(2) 0.26237(9) 0.36304(8) 0.0122(3) Uani 1 1 d . . . . .
 H9B H 0.136442 0.236976 0.407676 0.015 Uiso 1 1 calc R . . . .
 C12B C 0.5907(2) 0.40912(9) 0.33019(8) 0.0132(3) Uani 1 1 d . . . . .
 H12B H 0.661617 0.404364 0.289470 0.016 Uiso 1 1 calc R . . . .
 C1 C -0.2376(2) 0.60375(10) 0.10987(8) 0.0133(3) Uani 1 1 d . . . . .
 H1 H -0.357680 0.621293 0.120709 0.016 Uiso 1 1 calc R . . . .
 C7A C 0.2494(2) 0.71166(9) -0.16661(8) 0.0112(3) Uani 1 1 d . . . . .
 H7A H 0.323594 0.663114 -0.160727 0.013 Uiso 1 1 calc R . . . .
 C10B C 0.0628(2) 0.33472(9) 0.33552(8) 0.0114(3) Uani 1 1 d . . . . .
 H10B H -0.027756 0.365880 0.358601 0.014 Uiso 1 1 calc R . . . .
 C15A C 0.3691(2) 0.93585(10) -0.07367(8) 0.0138(3) Uani 1 1 d . . . . .
 H15A H 0.277527 0.971263 -0.055838 0.017 Uiso 1 1 calc R . . . .
 C4B C 0.1350(2) 0.45226(9) 0.17361(8) 0.0111(3) Uani 1 1 d . . . . .
 C4A C 0.1322(2) 0.65027(9) -0.01836(8) 0.0103(3) Uani 1 1 d . . . . .
 C5B C 0.3235(2) 0.43228(11) 0.14948(9) 0.0213(4) Uani 1 1 d . . . . .
 H5BA H 0.405817 0.419391 0.190839 0.032 Uiso 1 1 calc GR . . . .
 H5BB H 0.371543 0.480456 0.124277 0.032 Uiso 1 1 calc GR . . . .
 H5BC H 0.316273 0.383964 0.117564 0.032 Uiso 1 1 calc GR . . . .


_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
 Fe1B C13B 2.0574(16) . ?
 Fe1B C6B 2.0577(15) . ?
 Fe1B C14B 2.0622(15) . ?
 Fe1B C7B 2.0507(15) . ?
 Fe1B C15B 2.0490(15) . ?
 Fe1B C8B 2.0504(15) . ?
 Fe1B C11B 2.0345(15) . ?
 Fe1B C9B 2.0469(15) . ?
 Fe1B C12B 2.0446(15) . ?
 Fe1B C10B 2.0493(15) . ?
 Fe1A C10A 2.0534(15) . ?
 Fe1A C9A 2.0395(15) . ?
 Fe1A C6A 2.0793(14) . ?
 Fe1A C13A 2.0444(15) . ?
 Fe1A C12A 2.0601(16) . ?
 Fe1A C14A 2.0453(15) . ?
 Fe1A C8A 2.0521(15) . ?
 Fe1A C11A 2.0630(15) . ?
 Fe1A C7A 2.0530(15) . ?
 Fe1A C15A 2.0552(15) . ?
 N2B C6B 1.4083(18) . ?
 N2B C4B 1.2843(19) . ?
 N2A C6A 1.4075(18) . ?
 N2A C4A 1.2848(19) . ?
 C2B C3B 1.395(2) . ?
 C2B C1 1.392(2) . ?
 C5A C4A 1.502(2) . ?
 C2A C3A 1.394(2) . ?
 C2A C1 1.388(2) . ?
 C3B N1 1.3477(19) . ?
 C3B C4B 1.494(2) . ?
 C10A C9A 1.423(2) . ?
 C10A C6A 1.429(2) . ?
 C13B C14B 1.424(2) . ?
 C13B C12B 1.428(2) . ?
 N1 C3A 1.3426(19) . ?
 C9A C8A 1.419(2) . ?
 C6B C7B 1.441(2) . ?
 C6B C10B 1.437(2) . ?
 C6A C7A 1.441(2) . ?
 C14B C15B 1.429(2) . ?
 C13A C12A 1.430(2) . ?
 C13A C14A 1.419(2) . ?
 C12A C11A 1.419(2) . ?
 C3A C4A 1.500(2) . ?
 C7B C8B 1.423(2) . ?
 C14A C15A 1.424(2) . ?
 C15B C11B 1.427(2) . ?
 C8A C7A 1.425(2) . ?
 C11A C15A 1.427(2) . ?
 C8B C9B 1.426(2) . ?
 C11B C12B 1.425(2) . ?
 C9B C10B 1.422(2) . ?
 C4B C5B 1.502(2) . ?

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
 C13B Fe1B C6B 160.93(6) . . ?
 C13B Fe1B C14B 40.45(6) . . ?
 C6B Fe1B C14B 156.49(6) . . ?
 C7B Fe1B C13B 125.02(6) . . ?
 C7B Fe1B C6B 41.06(6) . . ?
 C7B Fe1B C14B 161.06(6) . . ?
 C15B Fe1B C13B 68.31(6) . . ?
 C15B Fe1B C6B 120.45(6) . . ?
 C15B Fe1B C14B 40.67(6) . . ?
 C15B Fe1B C7B 157.25(6) . . ?
 C15B Fe1B C8B 159.77(6) . . ?
 C15B Fe1B C10B 105.75(6) . . ?
 C8B Fe1B C13B 109.27(6) . . ?
 C8B Fe1B C6B 68.64(6) . . ?
 C8B Fe1B C14B 124.42(6) . . ?
 C8B Fe1B C7B 40.61(6) . . ?
 C11B Fe1B C13B 68.51(6) . . ?
 C11B Fe1B C6B 106.16(6) . . ?
 C11B Fe1B C14B 68.60(6) . . ?
 C11B Fe1B C7B 121.99(6) . . ?
 C11B Fe1B C15B 40.90(6) . . ?
 C11B Fe1B C8B 158.64(6) . . ?
 C11B Fe1B C9B 158.61(6) . . ?
 C11B Fe1B C12B 40.90(6) . . ?
 C11B Fe1B C10B 122.12(6) . . ?
 C9B Fe1B C13B 122.85(6) . . ?
 C9B Fe1B C6B 68.80(6) . . ?
 C9B Fe1B C14B 107.27(6) . . ?
 C9B Fe1B C7B 68.70(6) . . ?
 C9B Fe1B C15B 122.36(6) . . ?
 C9B Fe1B C8B 40.75(6) . . ?
 C9B Fe1B C10B 40.62(6) . . ?
 C12B Fe1B C13B 40.73(6) . . ?
 C12B Fe1B C6B 123.41(6) . . ?
 C12B Fe1B C14B 68.54(6) . . ?
 C12B Fe1B C7B 108.20(6) . . ?
 C12B Fe1B C15B 68.74(6) . . ?
 C12B Fe1B C8B 123.46(6) . . ?
 C12B Fe1B C9B 159.01(6) . . ?
 C12B Fe1B C10B 159.41(6) . . ?
 C10B Fe1B C13B 157.47(6) . . ?
 C10B Fe1B C6B 40.95(6) . . ?
 C10B Fe1B C14B 121.02(6) . . ?
 C10B Fe1B C7B 68.78(6) . . ?
 C10B Fe1B C8B 68.38(6) . . ?
 C10A Fe1A C6A 40.46(6) . . ?
 C10A Fe1A C12A 159.35(6) . . ?
 C10A Fe1A C11A 122.75(6) . . ?
 C10A Fe1A C15A 106.26(6) . . ?
 C9A Fe1A C10A 40.68(6) . . ?
 C9A Fe1A C6A 68.28(6) . . ?
 C9A Fe1A C13A 121.01(6) . . ?
 C9A Fe1A C12A 159.81(6) . . ?
 C9A Fe1A C14A 103.01(6) . . ?
 C9A Fe1A C8A 40.58(6) . . ?
 C9A Fe1A C11A 155.17(6) . . ?
 C9A Fe1A C7A 68.46(6) . . ?
 C9A Fe1A C15A 117.83(6) . . ?
 C13A Fe1A C10A 157.62(6) . . ?
 C13A Fe1A C6A 159.52(6) . . ?
 C13A Fe1A C12A 40.79(6) . . ?
 C13A Fe1A C14A 40.60(6) . . ?
 C13A Fe1A C8A 106.01(6) . . ?
 C13A Fe1A C11A 68.17(6) . . ?
 C13A Fe1A C7A 122.18(6) . . ?
 C13A Fe1A C15A 68.37(6) . . ?
 C12A Fe1A C6A 125.64(6) . . ?
 C12A Fe1A C11A 40.27(6) . . ?
 C14A Fe1A C10A 121.28(6) . . ?
 C14A Fe1A C6A 159.75(6) . . ?
 C14A Fe1A C12A 68.32(6) . . ?
 C14A Fe1A C8A 117.71(6) . . ?
 C14A Fe1A C11A 68.17(6) . . ?
 C14A Fe1A C7A 154.80(6) . . ?
 C14A Fe1A C15A 40.65(6) . . ?
 C8A Fe1A C10A 68.29(6) . . ?
 C8A Fe1A C6A 68.28(6) . . ?
 C8A Fe1A C12A 125.90(6) . . ?
 C8A Fe1A C11A 164.15(6) . . ?
 C8A Fe1A C7A 40.63(6) . . ?
 C8A Fe1A C15A 152.75(6) . . ?
 C11A Fe1A C6A 111.71(6) . . ?
 C7A Fe1A C10A 68.47(6) . . ?
 C7A Fe1A C6A 40.81(6) . . ?
 C7A Fe1A C12A 111.25(6) . . ?
 C7A Fe1A C11A 128.92(6) . . ?
 C7A Fe1A C15A 164.36(6) . . ?
 C15A Fe1A C6A 125.84(6) . . ?
 C15A Fe1A C12A 68.19(6) . . ?
 C15A Fe1A C11A 40.55(6) . . ?
 C4B N2B C6B 123.76(13) . . ?
 C4A N2A C6A 123.69(13) . . ?
 C1 C2B C3B 118.69(14) . . ?
 C1 C2A C3A 118.49(14) . . ?
 C2B C3B C4B 122.04(13) . . ?
 N1 C3B C2B 121.99(13) . . ?
 N1 C3B C4B 115.97(13) . . ?
 C9A C10A Fe1A 69.14(8) . . ?
 C9A C10A C6A 108.31(13) . . ?
 C6A C10A Fe1A 70.75(8) . . ?
 C14B C13B Fe1B 69.96(9) . . ?
 C14B C13B C12B 108.36(14) . . ?
 C12B C13B Fe1B 69.15(9) . . ?
 C3A N1 C3B 118.91(13) . . ?
 C10A C9A Fe1A 70.18(8) . . ?
 C8A C9A Fe1A 70.19(9) . . ?
 C8A C9A C10A 108.37(13) . . ?
 N2B C6B Fe1B 129.49(10) . . ?
 N2B C6B C7B 132.27(13) . . ?
 N2B C6B C10B 120.42(13) . . ?
 C7B C6B Fe1B 69.21(8) . . ?
 C10B C6B Fe1B 69.21(8) . . ?
 C10B C6B C7B 107.19(13) . . ?
 N2A C6A Fe1A 134.09(11) . . ?
 N2A C6A C10A 120.50(13) . . ?
 N2A C6A C7A 131.74(13) . . ?
 C10A C6A Fe1A 68.79(8) . . ?
 C10A C6A C7A 107.19(12) . . ?
 C7A C6A Fe1A 68.61(8) . . ?
 C13B C14B Fe1B 69.59(9) . . ?
 C13B C14B C15B 107.81(14) . . ?
 C15B C14B Fe1B 69.16(9) . . ?
 C12A C13A Fe1A 70.20(9) . . ?
 C14A C13A Fe1A 69.73(8) . . ?
 C14A C13A C12A 108.03(13) . . ?
 C13A C12A Fe1A 69.02(9) . . ?
 C11A C12A Fe1A 69.98(9) . . ?
 C11A C12A C13A 107.77(14) . . ?
 C2A C3A C4A 121.69(13) . . ?
 N1 C3A C2A 122.50(13) . . ?
 N1 C3A C4A 115.82(13) . . ?
 C6B C7B Fe1B 69.73(8) . . ?
 C8B C7B Fe1B 69.68(8) . . ?
 C8B C7B C6B 107.94(13) . . ?
 C13A C14A Fe1A 69.67(8) . . ?
 C13A C14A C15A 108.23(13) . . ?
 C15A C14A Fe1A 70.05(8) . . ?
 C14B C15B Fe1B 70.16(9) . . ?
 C11B C15B Fe1B 69.01(9) . . ?
 C11B C15B C14B 107.90(14) . . ?
 C9A C8A Fe1A 69.24(8) . . ?
 C9A C8A C7A 108.10(13) . . ?
 C7A C8A Fe1A 69.72(8) . . ?
 C12A C11A Fe1A 69.76(9) . . ?
 C12A C11A C15A 108.28(14) . . ?
 C15A C11A Fe1A 69.43(9) . . ?
 C7B C8B Fe1B 69.70(8) . . ?
 C7B C8B C9B 108.46(13) . . ?
 C9B C8B Fe1B 69.49(8) . . ?
 C15B C11B Fe1B 70.10(9) . . ?
 C12B C11B Fe1B 69.93(9) . . ?
 C12B C11B C15B 108.25(13) . . ?
 C8B C9B Fe1B 69.76(8) . . ?
 C10B C9B Fe1B 69.78(8) . . ?
 C10B C9B C8B 107.97(13) . . ?
 C13B C12B Fe1B 70.11(9) . . ?
 C11B C12B Fe1B 69.17(8) . . ?
 C11B C12B C13B 107.67(13) . . ?
 C2A C1 C2B 119.38(14) . . ?
 C6A C7A Fe1A 70.58(8) . . ?
 C8A C7A Fe1A 69.65(8) . . ?
 C8A C7A C6A 108.01(13) . . ?
 C6B C10B Fe1B 69.84(8) . . ?
 C9B C10B Fe1B 69.60(9) . . ?
 C9B C10B C6B 108.44(13) . . ?
 C14A C15A Fe1A 69.30(8) . . ?
 C14A C15A C11A 107.70(14) . . ?
 C11A C15A Fe1A 70.02(9) . . ?
 N2B C4B C3B 116.29(13) . . ?
 N2B C4B C5B 126.96(14) . . ?
 C3B C4B C5B 116.75(13) . . ?
 N2A C4A C5A 126.66(14) . . ?
 N2A C4A C3A 116.06(13) . . ?
 C3A C4A C5A 117.27(13) . . ?

_olex2_submission_special_instructions  'No special instructions were received'
