#------------------------------------------------------------------------------
#$Date: 2024-09-24 11:55:37 +0300 (Tue, 24 Sep 2024) $
#$Revision: 294865 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/83/7708304.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7708304
loop_
_publ_author_name
'Damoc, Madalin'
'Stoica, Alexandru-Constantin'
'Dascalu, Mihaela'
'Asandulesa, Mihai'
'Shova, Sergiu'
'Cazacu, Maria'
_publ_section_title
;
 Dual crystalline-amorphous salen-metal complexes behave like nematic
 droplets with AIEgens vistas.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d1dt01980e
_journal_year                    2021
_chemical_formula_moiety         'C24 H30 Cl4 Co N2 O3 Si2, 1/3(C H2 Cl2)'
_chemical_formula_sum            'C24.3333 H30.66667 Cl4.66667 Co N2 O3 Si2'
_chemical_formula_weight         679.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2020-02-06
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-08-01 deposited with the CCDC.	2021-08-20 downloaded from the CCDC.
;
_cell_angle_alpha                99.440(4)
_cell_angle_beta                 104.592(4)
_cell_angle_gamma                109.205(5)
_cell_formula_units_Z            6
_cell_length_a                   15.6932(7)
_cell_length_b                   17.4257(10)
_cell_length_c                   19.5315(9)
_cell_measurement_reflns_used    7839
_cell_measurement_temperature    180.1(2)
_cell_measurement_theta_max      25.6330
_cell_measurement_theta_min      1.5240
_cell_volume                     4699.7(5)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_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    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      180.1(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0797
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -18.00  23.00   1.00  100.00    --  -15.60 -99.00-120.00   41
  2  ω     65.00  90.00   1.00  100.00    --   17.79-178.00   0.00   25
  3  ω    -10.00  52.00   1.00  100.00    --   17.79 -99.00 150.00   62
  4  ω    -19.00   7.00   1.00  100.00    --  -15.60 -99.00  30.00   26
  5  ω    -22.00  56.00   1.00  100.00    --   17.79 -99.00  30.00   78
  6  ω    -20.00  87.00   1.00  100.00    --   17.79   0.00   0.00  107
  7  ω      2.00  84.00   1.00  100.00    --   17.79  38.00-120.00   82
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0248448000
_diffrn_orient_matrix_UB_12      -0.0215476000
_diffrn_orient_matrix_UB_13      -0.0376812000
_diffrn_orient_matrix_UB_21      0.0132813000
_diffrn_orient_matrix_UB_22      -0.0343314000
_diffrn_orient_matrix_UB_23      0.0052262000
_diffrn_orient_matrix_UB_31      -0.0421177000
_diffrn_orient_matrix_UB_32      -0.0190052000
_diffrn_orient_matrix_UB_33      0.0084788000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_av_unetI/netI     0.1649
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            37110
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         1.811
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.051
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_description       prism
_exptl_crystal_F_000             2094
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.570
_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.838
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1012
_refine_ls_number_reflns         16537
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.838
_refine_ls_R_factor_all          0.1127
_refine_ls_R_factor_gt           0.0515
_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)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0659
_refine_ls_wR_factor_ref         0.0845
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9380
_reflns_number_total             16537
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01980e2.cif
_cod_data_source_block           md_4270_mada
_cod_depositor_comments
;

2024-09-23
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C73 H92 Cl14 Co3 N6 O9 Si6'
_cod_original_formula_weight         2039.15
_cod_original_formula_moiety         '3(C24 H30 Cl4 Co N2 O3 Si2), C H2 Cl2'
_cod_original_formula_units_Z            2
_cod_original_cell_volume        4699.7(4)
_cod_database_code               7708304
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C30H30N2O4Cl2Si2Co1
_chemical_oxdiff_usercomment     C105
_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.
;
_shelx_estimated_absorpt_t_max   0.969
_shelx_estimated_absorpt_t_min   0.622
_reflns_odcompleteness_completeness 99.69
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C16A(HE,HF), C17A(HG,HH), C16B(HI,HJ), C17B(HM,HN), C9C(H9CA,H9CB), C8A(HO,
 HP), C8B(HR,HS), C17C(H17A,H17B), C15B(HV,HW), C9B(HY,HZ), C15A(H0AA,H1AA),
 C9A(H2AA,H3AA), C16C(H16A,H16B), C8C(H8CA,H8CB), C10C(H10A,H10B), C10A(H5AA,
 H6AA), C15C(H15A,H15B), C10B(H7AA,H8AA), C1(H5DA,H6DA)
2.b Aromatic/amide H refined with riding coordinates:
 C7A(H), C18A(HA), C3B(HB), C20C(H20C), C3A(HC), C7C(H7C), C5A(HD), C7B(HK),
 C22A(HL), C18C(H18C), C20A(HQ), C22C(H22C), C5C(H5C), C20B(HT), C18B(HU),
 C5B(HX), C3C(H3C), C22B(H4AA)
2.c Idealised Me refined as rotating group:
 C14B(H9AA,H0BA,H1BA), C14A(H2BA,H3BA,H4BA), C12A(H5BA,H6BA,H7BA), C13B(H8BA,
 H9BA,H0CA), C13A(H1CA,H2CA,H3CA), C14C(H14A,H14B,H14C), C11A(H4CA,H5CA,H6CA),
 C11B(H7CA,H0DA,H1DA), C11C(H11A,H11B,H11C), C12C(H12A,H12B,H12C), C13C(H13A,
 H13B,H13C), C12B(H2DA,H3DA,H4DA)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.204
_oxdiff_exptl_absorpt_empirical_full_min 0.795
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Co1C Co 0.59050(4) 0.33916(4) 0.26509(4) 0.02861(16) Uani 1 1 d . . . . .
Co1A Co 0.43788(4) 0.96005(4) 0.24125(3) 0.02632(16) Uani 1 1 d . . . . .
Co1B Co 0.62034(4) 0.69213(4) 0.28492(3) 0.02737(16) Uani 1 1 d . . . . .
Cl4C Cl 0.24694(8) 0.48449(7) 0.07093(7) 0.0376(3) Uani 1 1 d . . . . .
Cl1A Cl 0.55010(8) 0.94081(7) 0.03826(7) 0.0377(3) Uani 1 1 d . . . . .
Cl2A Cl 0.45687(8) 0.60729(7) 0.00257(7) 0.0403(3) Uani 1 1 d . . . . .
Cl1B Cl 0.28917(8) 0.57912(7) 0.26064(7) 0.0417(3) Uani 1 1 d . . . . .
Cl3B Cl 0.70339(9) 0.61236(8) 0.07556(7) 0.0466(4) Uani 1 1 d . . . . .
Cl1C Cl 0.74994(9) 0.49665(8) 0.51557(7) 0.0495(4) Uani 1 1 d . . . . .
Cl2B Cl 0.34719(9) 0.36295(8) 0.41411(8) 0.0508(4) Uani 1 1 d . . . . .
Si2B Si 0.85685(9) 0.97095(8) 0.55006(8) 0.0322(3) Uani 1 1 d . . . . .
Cl3A Cl 0.62467(9) 1.05352(8) 0.49287(7) 0.0518(4) Uani 1 1 d . . . . .
Cl3C Cl 0.25207(8) 0.23888(8) 0.20340(9) 0.0554(4) Uani 1 1 d . . . . .
Si2A Si 0.04652(9) 0.92090(9) 0.14365(8) 0.0377(4) Uani 1 1 d . . . . .
Si1A Si 0.04304(9) 0.74649(8) 0.17617(9) 0.0388(4) Uani 1 1 d . . . . .
Si1B Si 0.91476(10) 0.81880(9) 0.58323(8) 0.0411(4) Uani 1 1 d . . . . .
Si2C Si 0.90235(9) 0.40253(9) 0.11766(9) 0.0413(4) Uani 1 1 d . . . . .
Cl4B Cl 0.76353(9) 0.91841(9) 0.02909(9) 0.0635(5) Uani 1 1 d . . . . .
Si1C Si 0.82494(10) 0.20936(9) 0.11735(8) 0.0381(4) Uani 1 1 d . . . . .
Cl2C Cl 0.87616(10) 0.25586(9) 0.57353(8) 0.0653(4) Uani 1 1 d . . . . .
Cl4A Cl 0.52900(11) 1.32056(9) 0.53133(8) 0.0721(5) Uani 1 1 d . . . . .
Cl1 Cl 0.93694(12) 0.50794(14) 0.40143(12) 0.1095(7) Uani 1 1 d . . . . .
O1B O 0.49238(18) 0.63583(16) 0.28165(16) 0.0278(8) Uani 1 1 d . . . . .
O1C O 0.6621(2) 0.38869(17) 0.36719(17) 0.0336(8) Uani 1 1 d . . . . .
O2A O 0.51661(19) 1.01836(17) 0.34028(17) 0.0329(8) Uani 1 1 d . . . . .
O1A O 0.48258(19) 0.93531(17) 0.16182(16) 0.0304(8) Uani 1 1 d . . . . .
O2B O 0.6643(2) 0.67961(17) 0.20331(17) 0.0348(8) Uani 1 1 d . . . . .
O2C O 0.45549(18) 0.30504(17) 0.22585(17) 0.0311(8) Uani 1 1 d . . . . .
Cl2 Cl 0.9734(2) 0.37414(15) 0.32356(14) 0.1835(12) Uani 1 1 d . . . . .
N1A N 0.3801(2) 0.8415(2) 0.24461(19) 0.0245(9) Uani 1 1 d . . . . .
N2A N 0.3873(2) 1.0492(2) 0.2246(2) 0.0228(9) Uani 1 1 d . . . . .
O3B O 0.9017(2) 0.90035(18) 0.56072(18) 0.0410(9) Uani 1 1 d . . . . .
N1B N 0.6800(2) 0.6347(2) 0.34973(19) 0.0229(9) Uani 1 1 d . . . . .
N2B N 0.6435(2) 0.8137(2) 0.2982(2) 0.0253(9) Uani 1 1 d . . . . .
O3C O 0.8717(2) 0.31171(18) 0.13636(17) 0.0401(9) Uani 1 1 d . . . . .
N1C N 0.6209(2) 0.2361(2) 0.2572(2) 0.0277(9) Uani 1 1 d . . . . .
N2C N 0.6241(2) 0.4290(2) 0.21463(19) 0.0232(9) Uani 1 1 d . . . . .
C1B C 0.4643(3) 0.5748(2) 0.3119(2) 0.0242(11) Uani 1 1 d . . . . .
C7A C 0.3927(3) 0.7808(3) 0.2063(2) 0.0269(11) Uani 1 1 d . . . . .
H H 0.374480 0.729507 0.218082 0.032 Uiso 1 1 calc R . . . .
C18A C 0.4105(3) 1.1157(3) 0.2760(2) 0.0244(11) Uani 1 1 d . . . . .
HA H 0.389775 1.156874 0.262383 0.029 Uiso 1 1 calc R . . . .
C3B C 0.3318(3) 0.4738(3) 0.3352(2) 0.0290(12) Uani 1 1 d . . . . .
HB H 0.267031 0.450990 0.329399 0.035 Uiso 1 1 calc R . . . .
C19A C 0.4642(3) 1.1341(3) 0.3515(2) 0.0239(11) Uani 1 1 d . . . . .
O3A O 0.0608(2) 0.8404(2) 0.1674(2) 0.0623(12) Uani 1 1 d . . . . .
C1A C 0.4716(3) 0.8599(3) 0.1271(2) 0.0255(11) Uani 1 1 d . . . . .
C2A C 0.5016(3) 0.8504(3) 0.0645(2) 0.0242(11) Uani 1 1 d . . . . .
C20C C 0.4067(3) 0.4592(3) 0.1304(2) 0.0272(11) Uani 1 1 d . . . . .
H20C H 0.437962 0.505143 0.115053 0.033 Uiso 1 1 calc R . . . .
C21C C 0.3102(3) 0.4324(3) 0.1163(2) 0.0270(11) Uani 1 1 d . . . . .
C19C C 0.4595(3) 0.4184(3) 0.1678(2) 0.0225(11) Uani 1 1 d . . . . .
C4A C 0.4611(3) 0.7029(3) 0.0495(2) 0.0257(11) Uani 1 1 d . . . . .
C3A C 0.4962(3) 0.7748(3) 0.0265(2) 0.0275(11) Uani 1 1 d . . . . .
HC H 0.516029 0.771457 -0.014541 0.033 Uiso 1 1 calc R . . . .
C24C C 0.4128(3) 0.3471(3) 0.1918(3) 0.0268(11) Uani 1 1 d . . . . .
C24A C 0.5137(3) 1.0849(3) 0.3801(3) 0.0262(11) Uani 1 1 d . . . . .
C6A C 0.4325(3) 0.7844(3) 0.1468(2) 0.0221(11) Uani 1 1 d . . . . .
C7C C 0.6669(3) 0.2206(3) 0.3141(3) 0.0290(12) Uani 1 1 d . . . . .
H7C H 0.670535 0.167806 0.306974 0.035 Uiso 1 1 calc R . . . .
C5A C 0.4294(3) 0.7075(3) 0.1082(2) 0.0257(11) Uani 1 1 d . . . . .
HD H 0.405278 0.658977 0.122956 0.031 Uiso 1 1 calc R . . . .
C4B C 0.3927(3) 0.4427(2) 0.3738(3) 0.0295(12) Uani 1 1 d . . . . .
C16A C 0.2295(3) 0.9783(2) 0.1270(2) 0.0290(11) Uani 1 1 d . . . . .
HE H 0.199708 0.968429 0.074690 0.035 Uiso 1 1 calc R . . . .
HF H 0.231687 0.925452 0.135257 0.035 Uiso 1 1 calc R . . . .
C17A C 0.3317(3) 1.0433(3) 0.1502(2) 0.0283(11) Uani 1 1 d . . . . .
HG H 0.362583 1.027871 0.116094 0.034 Uiso 1 1 calc R . . . .
HH H 0.330261 1.098122 0.147973 0.034 Uiso 1 1 calc R . . . .
C24B C 0.6879(3) 0.7358(3) 0.1680(2) 0.0270(11) Uani 1 1 d . . . . .
C2B C 0.3663(3) 0.5382(3) 0.3055(2) 0.0254(11) Uani 1 1 d . . . . .
C16B C 0.6811(3) 0.8718(3) 0.4326(2) 0.0283(11) Uani 1 1 d . . . . .
HI H 0.689724 0.820197 0.437749 0.034 Uiso 1 1 calc R . . . .
HJ H 0.650411 0.885787 0.467390 0.034 Uiso 1 1 calc R . . . .
C7B C 0.6272(3) 0.5711(3) 0.3668(2) 0.0266(11) Uani 1 1 d . . . . .
HK H 0.658377 0.541274 0.391054 0.032 Uiso 1 1 calc R . . . .
C1C C 0.7072(3) 0.3555(3) 0.4098(3) 0.0282(12) Uani 1 1 d . . . . .
C22A C 0.5683(3) 1.1824(3) 0.5013(3) 0.0343(12) Uani 1 1 d . . . . .
HL H 0.602793 1.198461 0.551168 0.041 Uiso 1 1 calc R . . . .
C18C C 0.5614(3) 0.4537(3) 0.1812(2) 0.0254(11) Uani 1 1 d . . . . .
H18C H 0.583882 0.500052 0.163336 0.030 Uiso 1 1 calc R . . . .
C17B C 0.6152(3) 0.8555(3) 0.3557(2) 0.0321(12) Uani 1 1 d . . . . .
HM H 0.550738 0.820276 0.351655 0.038 Uiso 1 1 calc R . . . .
HN H 0.614698 0.908717 0.347367 0.038 Uiso 1 1 calc R . . . .
C23B C 0.7091(3) 0.7137(3) 0.1033(3) 0.0311(12) Uani 1 1 d . . . . .
C9C C 0.6458(3) 0.1855(3) 0.1399(2) 0.0330(12) Uani 1 1 d . . . . .
H9CA H 0.656875 0.241194 0.132488 0.040 Uiso 1 1 calc R . . . .
H9CB H 0.612397 0.144749 0.092167 0.040 Uiso 1 1 calc R . . . .
C8A C 0.3354(3) 0.8233(3) 0.3008(2) 0.0300(12) Uani 1 1 d . . . . .
HO H 0.372822 0.866840 0.346655 0.036 Uiso 1 1 calc R . . . .
HP H 0.334563 0.769758 0.309070 0.036 Uiso 1 1 calc R . . . .
C20A C 0.4710(3) 1.2080(3) 0.3993(3) 0.0326(12) Uani 1 1 d . . . . .
HQ H 0.441029 1.241770 0.380703 0.039 Uiso 1 1 calc R . . . .
C6B C 0.5244(3) 0.5412(3) 0.3523(2) 0.0240(11) Uani 1 1 d . . . . .
C19B C 0.6931(3) 0.8203(3) 0.1893(2) 0.0264(11) Uani 1 1 d . . . . .
C6C C 0.7137(3) 0.2757(3) 0.3879(3) 0.0286(12) Uani 1 1 d . . . . .
C22C C 0.2626(3) 0.3637(3) 0.1385(3) 0.0347(13) Uani 1 1 d . . . . .
H22C H 0.196926 0.345275 0.128777 0.042 Uiso 1 1 calc R . . . .
C5C C 0.7654(3) 0.2458(3) 0.4395(3) 0.0332(12) Uani 1 1 d . . . . .
H5C H 0.768821 0.193641 0.424876 0.040 Uiso 1 1 calc R . . . .
C8B C 0.7826(3) 0.6519(3) 0.3685(3) 0.0349(13) Uani 1 1 d . . . . .
HR H 0.801275 0.657234 0.325232 0.042 Uiso 1 1 calc R . . . .
HS H 0.793689 0.604202 0.382540 0.042 Uiso 1 1 calc R . . . .
C20B C 0.7180(3) 0.8753(3) 0.1457(3) 0.0364(13) Uani 1 1 d . . . . .
HT H 0.722914 0.930603 0.160237 0.044 Uiso 1 1 calc R . . . .
C18B C 0.6699(3) 0.8525(3) 0.2523(3) 0.0313(12) Uani 1 1 d . . . . .
HU H 0.674801 0.908134 0.260399 0.038 Uiso 1 1 calc R . . . .
C23A C 0.5642(3) 1.1114(3) 0.4562(3) 0.0317(12) Uani 1 1 d . . . . .
C17C C 0.7248(3) 0.4766(3) 0.2206(2) 0.0297(12) Uani 1 1 d . . . . .
H17A H 0.765363 0.493290 0.271407 0.036 Uiso 1 1 calc R . . . .
H17B H 0.729617 0.527344 0.204761 0.036 Uiso 1 1 calc R . . . .
C15B C 0.7796(3) 0.9426(3) 0.4530(2) 0.0341(12) Uani 1 1 d . . . . .
HV H 0.770737 0.992549 0.442714 0.041 Uiso 1 1 calc R . . . .
HW H 0.812797 0.925797 0.421403 0.041 Uiso 1 1 calc R . . . .
C23C C 0.3128(3) 0.3233(3) 0.1747(3) 0.0284(12) Uani 1 1 d . . . . .
C5B C 0.4880(3) 0.4749(3) 0.3828(2) 0.0291(11) Uani 1 1 d . . . . .
HX H 0.528444 0.453176 0.408872 0.035 Uiso 1 1 calc R . . . .
C3C C 0.8048(3) 0.3700(3) 0.5342(3) 0.0392(13) Uani 1 1 d . . . . .
H3C H 0.834736 0.401268 0.583140 0.047 Uiso 1 1 calc R . . . .
C21A C 0.5210(3) 1.2300(3) 0.4722(3) 0.0403(13) Uani 1 1 d . . . . .
C2C C 0.7547(3) 0.3990(3) 0.4846(3) 0.0339(12) Uani 1 1 d . . . . .
C9B C 0.8452(3) 0.7314(3) 0.4306(3) 0.0434(14) Uani 1 1 d . . . . .
HY H 0.911599 0.743763 0.434908 0.052 Uiso 1 1 calc R . . . .
HZ H 0.830340 0.778323 0.418275 0.052 Uiso 1 1 calc R . . . .
C15A C 0.1675(3) 1.0036(3) 0.1673(3) 0.0357(13) Uani 1 1 d . . . . .
H0AA H 0.161192 1.054081 0.155988 0.043 Uiso 1 1 calc R . . . .
H1AA H 0.199536 1.017574 0.219766 0.043 Uiso 1 1 calc R . . . .
C9A C 0.2338(3) 0.8198(3) 0.2775(3) 0.0363(13) Uani 1 1 d . . . . .
H2AA H 0.234813 0.871838 0.265465 0.044 Uiso 1 1 calc R . . . .
H3AA H 0.210200 0.816421 0.318748 0.044 Uiso 1 1 calc R . . . .
C16C C 0.7588(3) 0.4231(3) 0.1737(3) 0.0362(13) Uani 1 1 d . . . . .
H16A H 0.715546 0.403830 0.123471 0.043 Uiso 1 1 calc R . . . .
H16B H 0.756266 0.373687 0.191161 0.043 Uiso 1 1 calc R . . . .
C8C C 0.5816(3) 0.1697(3) 0.1873(2) 0.0331(12) Uani 1 1 d . . . . .
H8CA H 0.519158 0.166970 0.160282 0.040 Uiso 1 1 calc R . . . .
H8CB H 0.573347 0.115582 0.197609 0.040 Uiso 1 1 calc R . . . .
C10C C 0.7427(3) 0.1800(3) 0.1717(3) 0.0363(12) Uani 1 1 d . . . . .
H10A H 0.731914 0.122707 0.174664 0.044 Uiso 1 1 calc R . . . .
H10B H 0.773671 0.216828 0.221306 0.044 Uiso 1 1 calc R . . . .
C21B C 0.7349(3) 0.8493(3) 0.0829(3) 0.0401(14) Uani 1 1 d . . . . .
C22B C 0.7305(3) 0.7677(3) 0.0607(3) 0.0430(14) Uani 1 1 d . . . . .
H4AA H 0.741809 0.750003 0.017492 0.052 Uiso 1 1 calc R . . . .
C10A C 0.1644(3) 0.7456(3) 0.2118(3) 0.0425(14) Uani 1 1 d . . . . .
H5AA H 0.158182 0.693615 0.225706 0.051 Uiso 1 1 calc R . . . .
H6AA H 0.191593 0.745418 0.172334 0.051 Uiso 1 1 calc R . . . .
C15C C 0.8597(3) 0.4697(3) 0.1742(3) 0.0377(13) Uani 1 1 d . . . . .
H15A H 0.902823 0.489944 0.224516 0.045 Uiso 1 1 calc R . . . .
H15B H 0.861971 0.518400 0.155726 0.045 Uiso 1 1 calc R . . . .
C4C C 0.8103(3) 0.2926(3) 0.5104(3) 0.0383(13) Uani 1 1 d . . . . .
C10B C 0.8329(3) 0.7248(3) 0.5023(3) 0.0460(15) Uani 1 1 d . . . . .
H7AA H 0.842952 0.675135 0.512370 0.055 Uiso 1 1 calc R . . . .
H8AA H 0.767350 0.716016 0.498395 0.055 Uiso 1 1 calc R . . . .
C14B C 0.9596(3) 1.0733(3) 0.5738(3) 0.0496(15) Uani 1 1 d . . . . .
H9AA H 0.999598 1.085715 0.623584 0.074 Uiso 1 1 calc GR . . . .
H0BA H 0.936401 1.117314 0.568575 0.074 Uiso 1 1 calc GR . . . .
H1BA H 0.995943 1.069772 0.541339 0.074 Uiso 1 1 calc GR . . . .
C14A C -0.0225(3) 0.9577(3) 0.1961(3) 0.0576(17) Uani 1 1 d . . . . .
H2BA H -0.080087 0.911179 0.190262 0.086 Uiso 1 1 calc GR . . . .
H3BA H -0.038460 1.000951 0.178120 0.086 Uiso 1 1 calc GR . . . .
H4BA H 0.015233 0.979990 0.247252 0.086 Uiso 1 1 calc GR . . . .
C12A C -0.0245(3) 0.7272(3) 0.2414(3) 0.0524(16) Uani 1 1 d . . . . .
H5BA H 0.007600 0.772257 0.285963 0.079 Uiso 1 1 calc GR . . . .
H6BA H -0.028301 0.674671 0.252310 0.079 Uiso 1 1 calc GR . . . .
H7BA H -0.087811 0.724757 0.219741 0.079 Uiso 1 1 calc GR . . . .
C13B C 0.7858(3) 0.9763(3) 0.6120(3) 0.0559(16) Uani 1 1 d . . . . .
H8BA H 0.742282 0.920396 0.607040 0.084 Uiso 1 1 calc GR . . . .
H9BA H 0.750448 1.010457 0.599293 0.084 Uiso 1 1 calc GR . . . .
H0CA H 0.827872 1.000698 0.661943 0.084 Uiso 1 1 calc GR . . . .
C13A C -0.0139(3) 0.8897(3) 0.0439(3) 0.0605(17) Uani 1 1 d . . . . .
H1CA H 0.023786 0.870264 0.019131 0.091 Uiso 1 1 calc GR . . . .
H2CA H -0.021730 0.937369 0.028696 0.091 Uiso 1 1 calc GR . . . .
H3CA H -0.075495 0.845216 0.031658 0.091 Uiso 1 1 calc GR . . . .
C14C C 0.8451(3) 0.3881(3) 0.0181(3) 0.0626(17) Uani 1 1 d . . . . .
H14A H 0.859802 0.346810 -0.010308 0.094 Uiso 1 1 calc GR . . . .
H14B H 0.868821 0.440793 0.006419 0.094 Uiso 1 1 calc GR . . . .
H14C H 0.777136 0.369173 0.006919 0.094 Uiso 1 1 calc GR . . . .
C11A C -0.0237(3) 0.6686(3) 0.0861(3) 0.0599(17) Uani 1 1 d . . . . .
H4CA H -0.088561 0.664542 0.071002 0.090 Uiso 1 1 calc GR . . . .
H5CA H -0.022970 0.614558 0.089828 0.090 Uiso 1 1 calc GR . . . .
H6CA H 0.005488 0.686083 0.050642 0.090 Uiso 1 1 calc GR . . . .
C11B C 0.8824(3) 0.8068(3) 0.6660(3) 0.0688(18) Uani 1 1 d . . . . .
H7CA H 0.923427 0.855784 0.706086 0.103 Uiso 1 1 calc GR . . . .
H0DA H 0.889710 0.757609 0.678077 0.103 Uiso 1 1 calc GR . . . .
H1DA H 0.817228 0.800779 0.657022 0.103 Uiso 1 1 calc GR . . . .
C11C C 0.9223(3) 0.1713(3) 0.1446(3) 0.070(2) Uani 1 1 d . . . . .
H11A H 0.964583 0.186724 0.116738 0.105 Uiso 1 1 calc GR . . . .
H11B H 0.895506 0.110951 0.135126 0.105 Uiso 1 1 calc GR . . . .
H11C H 0.957211 0.196337 0.196027 0.105 Uiso 1 1 calc GR . . . .
C12C C 0.7567(3) 0.1652(3) 0.0182(3) 0.0644(18) Uani 1 1 d . . . . .
H12A H 0.713071 0.192126 0.004446 0.097 Uiso 1 1 calc GR . . . .
H12B H 0.721543 0.105599 0.008005 0.097 Uiso 1 1 calc GR . . . .
H12C H 0.800008 0.174806 -0.009489 0.097 Uiso 1 1 calc GR . . . .
C13C C 1.0342(3) 0.4502(3) 0.1431(3) 0.071(2) Uani 1 1 d . . . . .
H13A H 1.062726 0.454127 0.193810 0.106 Uiso 1 1 calc GR . . . .
H13B H 1.053367 0.505622 0.135581 0.106 Uiso 1 1 calc GR . . . .
H13C H 1.054773 0.415585 0.112966 0.106 Uiso 1 1 calc GR . . . .
C12B C 1.0408(3) 0.8349(3) 0.6022(3) 0.0734(19) Uani 1 1 d . . . . .
H2DA H 1.058211 0.841424 0.559129 0.110 Uiso 1 1 calc GR . . . .
H3DA H 1.050457 0.786934 0.615392 0.110 Uiso 1 1 calc GR . . . .
H4DA H 1.079784 0.884704 0.641980 0.110 Uiso 1 1 calc GR . . . .
C1 C 0.9672(5) 0.4203(4) 0.4037(4) 0.112(3) Uani 1 1 d . . . . .
H5DA H 1.028602 0.437711 0.441570 0.134 Uiso 1 1 calc R . . . .
H6DA H 0.920195 0.379082 0.417224 0.134 Uiso 1 1 calc R . . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
O O 0.0106 0.0060 '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_
_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
O1C Co1C N1C 95.69(14) . . ?
O1C Co1C N2C 107.02(13) . . ?
O2C Co1C O1C 123.62(12) . . ?
O2C Co1C N1C 108.62(13) . . ?
O2C Co1C N2C 96.41(13) . . ?
N2C Co1C N1C 128.35(13) . . ?
O2A Co1A N1A 103.54(13) . . ?
O2A Co1A N2A 95.25(14) . . ?
O1A Co1A O2A 125.37(12) . . ?
O1A Co1A N1A 95.87(13) . . ?
O1A Co1A N2A 106.42(13) . . ?
N1A Co1A N2A 134.40(13) . . ?
O1B Co1B N1B 97.47(13) . . ?
O1B Co1B N2B 107.02(12) . . ?
O2B Co1B O1B 124.51(13) . . ?
O2B Co1B N1B 104.16(13) . . ?
O2B Co1B N2B 96.34(13) . . ?
N1B Co1B N2B 130.57(14) . . ?
O3B Si2B C15B 109.02(19) . . ?
O3B Si2B C14B 106.52(19) . . ?
O3B Si2B C13B 110.1(2) . . ?
C15B Si2B C14B 111.0(2) . . ?
C13B Si2B C15B 109.9(2) . . ?
C13B Si2B C14B 110.2(2) . . ?
O3A Si2A C15A 106.81(19) . . ?
O3A Si2A C14A 108.7(2) . . ?
O3A Si2A C13A 108.5(2) . . ?
C15A Si2A C14A 110.5(2) . . ?
C13A Si2A C15A 109.8(2) . . ?
C13A Si2A C14A 112.5(2) . . ?
O3A Si1A C10A 105.27(19) . . ?
O3A Si1A C12A 108.5(2) . . ?
O3A Si1A C11A 109.9(2) . . ?
C12A Si1A C10A 112.2(2) . . ?
C11A Si1A C10A 110.1(2) . . ?
C11A Si1A C12A 110.7(2) . . ?
O3B Si1B C10B 106.3(2) . . ?
O3B Si1B C11B 110.7(2) . . ?
O3B Si1B C12B 107.8(2) . . ?
C11B Si1B C10B 110.6(2) . . ?
C12B Si1B C10B 112.4(2) . . ?
C12B Si1B C11B 109.1(3) . . ?
O3C Si2C C15C 106.75(18) . . ?
O3C Si2C C14C 109.9(2) . . ?
O3C Si2C C13C 108.8(2) . . ?
C14C Si2C C15C 110.4(2) . . ?
C13C Si2C C15C 110.5(2) . . ?
C13C Si2C C14C 110.5(2) . . ?
O3C Si1C C10C 108.04(18) . . ?
O3C Si1C C11C 108.6(2) . . ?
O3C Si1C C12C 109.3(2) . . ?
C11C Si1C C10C 109.7(2) . . ?
C12C Si1C C10C 109.6(2) . . ?
C12C Si1C C11C 111.5(3) . . ?
C1B O1B Co1B 124.9(3) . . ?
C1C O1C Co1C 126.1(3) . . ?
C24A O2A Co1A 125.7(3) . . ?
C1A O1A Co1A 125.5(3) . . ?
C24B O2B Co1B 125.9(3) . . ?
C24C O2C Co1C 124.9(3) . . ?
C7A N1A Co1A 122.0(3) . . ?
C7A N1A C8A 117.8(4) . . ?
C8A N1A Co1A 119.4(3) . . ?
C18A N2A Co1A 121.5(3) . . ?
C18A N2A C17A 118.9(4) . . ?
C17A N2A Co1A 119.3(3) . . ?
Si1B O3B Si2B 159.0(2) . . ?
C7B N1B Co1B 120.3(3) . . ?
C7B N1B C8B 117.6(4) . . ?
C8B N1B Co1B 121.2(3) . . ?
C17B N2B Co1B 118.5(3) . . ?
C18B N2B Co1B 121.2(3) . . ?
C18B N2B C17B 119.6(4) . . ?
Si1C O3C Si2C 155.6(2) . . ?
C7C N1C Co1C 121.5(3) . . ?
C7C N1C C8C 117.0(4) . . ?
C8C N1C Co1C 121.0(3) . . ?
C18C N2C Co1C 121.3(3) . . ?
C18C N2C C17C 116.9(3) . . ?
C17C N2C Co1C 121.5(3) . . ?
O1B C1B C2B 119.3(4) . . ?
O1B C1B C6B 125.1(4) . . ?
C6B C1B C2B 115.6(4) . . ?
N1A C7A C6A 126.6(4) . . ?
N2A C18A C19A 127.9(4) . . ?
C2B C3B C4B 120.0(4) . . ?
C18A C19A C24A 123.8(4) . . ?
C20A C19A C18A 117.0(4) . . ?
C20A C19A C24A 119.1(4) . . ?
Si2A O3A Si1A 163.3(2) . . ?
O1A C1A C2A 119.1(4) . . ?
O1A C1A C6A 125.7(4) . . ?
C6A C1A C2A 115.2(4) . . ?
C1A C2A Cl1A 117.1(3) . . ?
C3A C2A Cl1A 119.7(3) . . ?
C3A C2A C1A 123.2(4) . . ?
C21C C20C C19C 120.9(4) . . ?
C20C C21C Cl4C 120.1(3) . . ?
C20C C21C C22C 120.2(4) . . ?
C22C C21C Cl4C 119.7(3) . . ?
C20C C19C C24C 120.6(4) . . ?
C20C C19C C18C 115.9(4) . . ?
C24C C19C C18C 123.5(4) . . ?
C3A C4A Cl2A 119.8(3) . . ?
C5A C4A Cl2A 120.3(3) . . ?
C5A C4A C3A 120.0(4) . . ?
C2A C3A C4A 119.7(4) . . ?
O2C C24C C19C 124.7(4) . . ?
O2C C24C C23C 120.5(4) . . ?
C23C C24C C19C 114.8(4) . . ?
O2A C24A C19A 124.2(4) . . ?
O2A C24A C23A 118.5(4) . . ?
C23A C24A C19A 117.3(4) . . ?
C1A C6A C7A 123.1(4) . . ?
C5A C6A C7A 116.0(4) . . ?
C5A C6A C1A 120.9(4) . . ?
N1C C7C C6C 127.5(4) . . ?
C4A C5A C6A 120.9(4) . . ?
C3B C4B Cl2B 118.9(3) . . ?
C5B C4B Cl2B 120.0(4) . . ?
C5B C4B C3B 121.1(4) . . ?
C15A C16A C17A 114.4(3) . . ?
N2A C17A C16A 111.8(3) . . ?
O2B C24B C23B 119.1(4) . . ?
O2B C24B C19B 124.6(4) . . ?
C23B C24B C19B 116.2(4) . . ?
C1B C2B Cl1B 118.4(3) . . ?
C3B C2B Cl1B 119.1(3) . . ?
C3B C2B C1B 122.5(4) . . ?
C17B C16B C15B 114.8(4) . . ?
N1B C7B C6B 127.2(4) . . ?
O1C C1C C6C 125.4(4) . . ?
O1C C1C C2C 119.4(4) . . ?
C2C C1C C6C 115.2(4) . . ?
C23A C22A C21A 119.5(5) . . ?
N2C C18C C19C 127.7(4) . . ?
N2B C17B C16B 112.9(3) . . ?
C24B C23B Cl3B 117.7(3) . . ?
C22B C23B Cl3B 119.1(4) . . ?
C22B C23B C24B 123.2(4) . . ?
C8C C9C C10C 114.8(4) . . ?
N1A C8A C9A 111.2(4) . . ?
C21A C20A C19A 120.5(4) . . ?
C1B C6B C7B 124.3(4) . . ?
C5B C6B C1B 121.4(4) . . ?
C5B C6B C7B 114.3(4) . . ?
C24B C19B C18B 123.6(4) . . ?
C20B C19B C24B 119.4(4) . . ?
C20B C19B C18B 116.9(4) . . ?
C1C C6C C7C 123.3(4) . . ?
C5C C6C C7C 116.2(4) . . ?
C5C C6C C1C 120.4(4) . . ?
C23C C22C C21C 119.5(4) . . ?
C4C C5C C6C 120.4(4) . . ?
N1B C8B C9B 113.3(4) . . ?
C21B C20B C19B 121.4(5) . . ?
N2B C18B C19B 127.8(4) . . ?
C24A C23A Cl3A 118.7(4) . . ?
C22A C23A Cl3A 119.0(4) . . ?
C22A C23A C24A 122.3(4) . . ?
N2C C17C C16C 110.7(3) . . ?
C16B C15B Si2B 115.4(3) . . ?
C24C C23C Cl3C 117.3(4) . . ?
C22C C23C Cl3C 118.7(3) . . ?
C22C C23C C24C 124.0(4) . . ?
C4B C5B C6B 119.5(4) . . ?
C2C C3C C4C 118.7(5) . . ?
C22A C21A Cl4A 118.1(4) . . ?
C20A C21A Cl4A 120.7(4) . . ?
C20A C21A C22A 121.2(4) . . ?
C1C C2C Cl1C 118.0(4) . . ?
C3C C2C Cl1C 117.8(4) . . ?
C3C C2C C1C 124.2(4) . . ?
C10B C9B C8B 113.3(4) . . ?
C16A C15A Si2A 113.9(3) . . ?
C8A C9A C10A 114.2(4) . . ?
C17C C16C C15C 113.3(3) . . ?
N1C C8C C9C 112.3(3) . . ?
C9C C10C Si1C 114.2(3) . . ?
C20B C21B Cl4B 120.4(4) . . ?
C20B C21B C22B 120.6(4) . . ?
C22B C21B Cl4B 119.0(4) . . ?
C23B C22B C21B 119.1(5) . . ?
C9A C10A Si1A 114.8(3) . . ?
C16C C15C Si2C 113.1(3) . . ?
C5C C4C Cl2C 120.0(4) . . ?
C5C C4C C3C 121.1(5) . . ?
C3C C4C Cl2C 118.9(4) . . ?
C9B C10B Si1B 115.5(3) . . ?
Cl2 C1 Cl1 113.7(4) . . ?
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
Co1C O1C 1.911(3) . ?
Co1C O2C 1.906(3) . ?
Co1C N1C 1.998(3) . ?
Co1C N2C 1.981(3) . ?
Co1A O2A 1.904(3) . ?
Co1A O1A 1.901(3) . ?
Co1A N1A 1.984(3) . ?
Co1A N2A 1.999(3) . ?
Co1B O1B 1.902(3) . ?
Co1B O2B 1.899(3) . ?
Co1B N1B 1.979(3) . ?
Co1B N2B 1.988(3) . ?
Cl4C C21C 1.734(4) . ?
Cl1A C2A 1.731(4) . ?
Cl2A C4A 1.737(4) . ?
Cl1B C2B 1.727(4) . ?
Cl3B C23B 1.726(4) . ?
Cl1C C2C 1.742(4) . ?
Cl2B C4B 1.747(4) . ?
Si2B O3B 1.622(3) . ?
Si2B C15B 1.857(5) . ?
Si2B C14B 1.860(4) . ?
Si2B C13B 1.852(4) . ?
Cl3A C23A 1.720(5) . ?
Cl3C C23C 1.733(4) . ?
Si2A O3A 1.612(3) . ?
Si2A C15A 1.853(4) . ?
Si2A C14A 1.854(4) . ?
Si2A C13A 1.837(5) . ?
Si1A O3A 1.613(3) . ?
Si1A C10A 1.862(4) . ?
Si1A C12A 1.857(4) . ?
Si1A C11A 1.840(5) . ?
Si1B O3B 1.614(3) . ?
Si1B C10B 1.891(5) . ?
Si1B C11B 1.835(5) . ?
Si1B C12B 1.833(4) . ?
Si2C O3C 1.627(3) . ?
Si2C C15C 1.870(4) . ?
Si2C C14C 1.860(5) . ?
Si2C C13C 1.853(4) . ?
Cl4B C21B 1.747(5) . ?
Si1C O3C 1.625(3) . ?
Si1C C10C 1.868(4) . ?
Si1C C11C 1.852(4) . ?
Si1C C12C 1.848(5) . ?
Cl2C C4C 1.747(5) . ?
Cl4A C21A 1.743(4) . ?
Cl1 C1 1.747(7) . ?
O1B C1B 1.305(4) . ?
O1C C1C 1.287(5) . ?
O2A C24A 1.307(4) . ?
O1A C1A 1.309(5) . ?
O2B C24B 1.297(5) . ?
O2C C24C 1.298(5) . ?
Cl2 C1 1.680(7) . ?
N1A C7A 1.293(5) . ?
N1A C8A 1.468(4) . ?
N2A C18A 1.280(5) . ?
N2A C17A 1.462(5) . ?
N1B C7B 1.297(4) . ?
N1B C8B 1.472(5) . ?
N2B C17B 1.477(5) . ?
N2B C18B 1.279(5) . ?
N1C C7C 1.284(5) . ?
N1C C8C 1.473(5) . ?
N2C C18C 1.276(5) . ?
N2C C17C 1.488(4) . ?
C1B C2B 1.421(5) . ?
C1B C6B 1.413(6) . ?
C7A C6A 1.452(5) . ?
C18A C19A 1.423(6) . ?
C3B C4B 1.374(6) . ?
C3B C2B 1.364(5) . ?
C19A C24A 1.425(6) . ?
C19A C20A 1.416(5) . ?
C1A C2A 1.421(5) . ?
C1A C6A 1.417(5) . ?
C2A C3A 1.368(5) . ?
C20C C21C 1.368(5) . ?
C20C C19C 1.407(5) . ?
C21C C22C 1.388(5) . ?
C19C C24C 1.437(5) . ?
C19C C18C 1.447(5) . ?
C4A C3A 1.388(5) . ?
C4A C5A 1.361(5) . ?
C24C C23C 1.417(5) . ?
C24A C23A 1.411(6) . ?
C6A C5A 1.406(5) . ?
C7C C6C 1.445(6) . ?
C4B C5B 1.365(5) . ?
C16A C17A 1.527(5) . ?
C16A C15A 1.522(5) . ?
C24B C23B 1.413(5) . ?
C24B C19B 1.432(6) . ?
C16B C17B 1.514(6) . ?
C16B C15B 1.530(5) . ?
C7B C6B 1.456(5) . ?
C1C C6C 1.430(6) . ?
C1C C2C 1.408(6) . ?
C22A C23A 1.367(5) . ?
C22A C21A 1.382(6) . ?
C23B C22B 1.371(6) . ?
C9C C8C 1.524(5) . ?
C9C C10C 1.531(5) . ?
C8A C9A 1.521(5) . ?
C20A C21A 1.361(6) . ?
C6B C5B 1.406(5) . ?
C19B C20B 1.410(6) . ?
C19B C18B 1.448(5) . ?
C6C C5C 1.410(6) . ?
C22C C23C 1.365(6) . ?
C5C C4C 1.357(6) . ?
C8B C9B 1.520(6) . ?
C20B C21B 1.356(6) . ?
C17C C16C 1.511(5) . ?
C3C C2C 1.361(6) . ?
C3C C4C 1.390(6) . ?
C9B C10B 1.480(6) . ?
C9A C10A 1.526(6) . ?
C16C C15C 1.520(5) . ?
C21B C22B 1.390(6) . ?
