#------------------------------------------------------------------------------
#$Date: 2022-04-20 02:12:45 +0300 (Wed, 20 Apr 2022) $
#$Revision: 274589 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/00/7710071.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_7710071
loop_
_publ_author_name
'Estrada, Alexander Louis'
'Wititsuwannakul, Taveechai'
'Kromm, Klemenz'
'Hampel, Frank'
'Hall, Michael B.'
'Gladysz, John'
_publ_section_title
;
 Syntheses, Rearrangements, and Structural Analyses of Unsaturated
 Nitrogen Donor Ligands Derived from Diphenyldiazomethane and the Chiral
 Rhenium Lewis Acid [(η5-C5H5)Re(NO)(PPh3)]+
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00890D
_journal_year                    2022
_chemical_formula_sum            'C36.5 H31 B Cl F4 N3 O P Re'
_chemical_formula_weight         867.07
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc66xq0
_audit_creation_method           SHELXL-97
_audit_update_record
;
2002-05-08 deposited with the CCDC.	2022-04-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.620(3)
_cell_length_b                   12.110(2)
_cell_length_c                   21.411(4)
_cell_measurement_reflns_used    15163
_cell_measurement_temperature    173(2)
_cell_volume                     3414.5(12)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_publication_material  'SHELX-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           Mo-Ka
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            13210
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    3.741
_exptl_absorpt_correction_T_max  0.3999
_exptl_absorpt_correction_T_min  0.3543
_exptl_absorpt_correction_type   Scalepack
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1708
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.975
_refine_diff_density_min         -1.210
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7810
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0206P)²+4.6237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0588
_refine_ls_wR_factor_ref         0.0622
_reflns_number_gt                6635
_reflns_number_total             7810
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d2dt00890d3.cif
_cod_data_source_block           klk07
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        3414.6(12)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C36.50 H31 B Cl F4 N3 O P Re'
_cod_database_code               7710071
_ccdc_temp_data_collection       173
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Re1 Re 0.663312(9) 0.223260(10) 0.557481(6) 0.02286(5) Uani 1 1 d . . .
P1 P 0.79833(6) 0.12844(6) 0.52642(4) 0.02218(16) Uani 1 1 d . . .
N1 N 0.66838(18) 0.0302(2) 0.64471(12) 0.0242(5) Uani 1 1 d . . .
C1 C 0.6205(2) -0.0404(3) 0.67130(14) 0.0251(6) Uani 1 1 d . . .
F1 F 0.7004(2) 0.5484(3) 0.31898(16) 0.0979(12) Uani 1 1 d . . .
B1 B 0.6177(4) 0.5474(4) 0.3423(2) 0.0478(11) Uani 1 1 d . . .
N2 N 0.68175(18) 0.1234(2) 0.62884(12) 0.0252(5) Uani 1 1 d . . .
F2 F 0.6257(3) 0.6105(3) 0.39434(19) 0.1193(14) Uani 1 1 d . . .
N3 N 0.5718(2) 0.1535(2) 0.49748(13) 0.0314(6) Uani 1 1 d . . .
O3 O 0.50717(19) 0.1137(2) 0.45559(13) 0.0494(7) Uani 1 1 d . . .
F3 F 0.5353(2) 0.5874(3) 0.29518(18) 0.1042(12) Uani 1 1 d . . .
F4 F 0.5942(2) 0.4410(2) 0.35779(14) 0.0695(7) Uani 1 1 d . . .
C11 C 0.6664(2) -0.1518(3) 0.68471(14) 0.0284(7) Uani 1 1 d . . .
C12 C 0.6068(3) -0.2468(3) 0.67431(18) 0.0375(8) Uani 1 1 d . . .
H12A H 0.5350 -0.2406 0.6601 0.045 Uiso 1 1 calc R . .
C13 C 0.6514(3) -0.3499(3) 0.68454(19) 0.0478(10) Uani 1 1 d . . .
H13A H 0.6102 -0.4143 0.6776 0.057 Uiso 1 1 calc R . .
C14 C 0.7561(3) -0.3594(3) 0.70489(18) 0.0467(10) Uani 1 1 d . . .
H14A H 0.7866 -0.4305 0.7108 0.056 Uiso 1 1 calc R . .
C15 C 0.8159(3) -0.2667(3) 0.71655(18) 0.0424(9) Uani 1 1 d . . .
H15A H 0.8876 -0.2738 0.7316 0.051 Uiso 1 1 calc R . .
C16 C 0.7718(3) -0.1623(3) 0.70629(15) 0.0335(7) Uani 1 1 d . . .
H16A H 0.8134 -0.0983 0.7140 0.040 Uiso 1 1 calc R . .
C21 C 0.5255(2) -0.0056(3) 0.68732(15) 0.0267(6) Uani 1 1 d . . .
C22 C 0.4893(3) -0.0627(3) 0.73318(19) 0.0417(9) Uani 1 1 d . . .
H22A H 0.5252 -0.1255 0.7539 0.050 Uiso 1 1 calc R . .
C23 C 0.4012(3) -0.0288(4) 0.7491(2) 0.0515(11) Uani 1 1 d . . .
H23A H 0.3775 -0.0684 0.7806 0.062 Uiso 1 1 calc R . .
C24 C 0.3481(3) 0.0619(3) 0.71935(19) 0.0422(9) Uani 1 1 d . . .
H24A H 0.2869 0.0837 0.7294 0.051 Uiso 1 1 calc R . .
C25 C 0.3845(3) 0.1202(3) 0.67524(18) 0.0403(8) Uani 1 1 d . . .
H25A H 0.3493 0.1842 0.6556 0.048 Uiso 1 1 calc R . .
C26 C 0.4722(2) 0.0869(3) 0.65898(17) 0.0347(8) Uani 1 1 d . . .
H26A H 0.4960 0.1279 0.6280 0.042 Uiso 1 1 calc R . .
C41 C 0.6492(3) 0.4048(3) 0.5197(2) 0.0465(10) Uani 1 1 d . . .
H41A H 0.6318 0.4286 0.4735 0.056 Uiso 1 1 calc R . .
C42 C 0.7473(3) 0.3904(3) 0.5599(2) 0.0508(11) Uani 1 1 d . . .
H42A H 0.8121 0.4020 0.5470 0.061 Uiso 1 1 calc R . .
C43 C 0.7394(3) 0.3667(3) 0.6233(2) 0.0438(9) Uani 1 1 d . . .
H43A H 0.7971 0.3601 0.6627 0.053 Uiso 1 1 calc R . .
C44 C 0.6349(3) 0.3662(3) 0.62164(18) 0.0374(8) Uani 1 1 d . . .
H44A H 0.6059 0.3590 0.6599 0.045 Uiso 1 1 calc R . .
C45 C 0.5799(3) 0.3889(3) 0.55849(18) 0.0378(8) Uani 1 1 d . . .
H45A H 0.5048 0.4000 0.5440 0.045 Uiso 1 1 calc R . .
C51 C 0.7907(2) -0.0211(2) 0.53339(15) 0.0258(6) Uani 1 1 d . . .
C52 C 0.8697(3) -0.0832(3) 0.57075(16) 0.0335(7) Uani 1 1 d . . .
H52A H 0.9294 -0.0474 0.5950 0.040 Uiso 1 1 calc R . .
C53 C 0.8620(3) -0.1973(3) 0.57297(19) 0.0415(9) Uani 1 1 d . . .
H53A H 0.9166 -0.2393 0.5985 0.050 Uiso 1 1 calc R . .
C54 C 0.7760(3) -0.2495(3) 0.5384(2) 0.0444(10) Uani 1 1 d . . .
H54A H 0.7708 -0.3276 0.5402 0.053 Uiso 1 1 calc R . .
C55 C 0.6973(3) -0.1890(3) 0.5010(2) 0.0488(10) Uani 1 1 d . . .
H55A H 0.6377 -0.2254 0.4773 0.059 Uiso 1 1 calc R . .
C56 C 0.7043(3) -0.0747(3) 0.4979(2) 0.0423(9) Uani 1 1 d . . .
H56A H 0.6501 -0.0334 0.4715 0.051 Uiso 1 1 calc R . .
C61 C 0.9213(2) 0.1671(3) 0.57865(14) 0.0245(6) Uani 1 1 d . . .
C62 C 0.9377(3) 0.1549(3) 0.64569(16) 0.0327(7) Uani 1 1 d . . .
H62A H 0.8848 0.1281 0.6632 0.039 Uiso 1 1 calc R . .
C63 C 1.0314(3) 0.1820(3) 0.68634(17) 0.0387(8) Uani 1 1 d . . .
H63A H 1.0430 0.1725 0.7317 0.046 Uiso 1 1 calc R . .
C64 C 1.1080(3) 0.2228(3) 0.66101(19) 0.0421(9) Uani 1 1 d . . .
H64A H 1.1718 0.2418 0.6891 0.051 Uiso 1 1 calc R . .
C65 C 1.0921(3) 0.2359(3) 0.5955(2) 0.0428(9) Uani 1 1 d . . .
H65A H 1.1448 0.2643 0.5784 0.051 Uiso 1 1 calc R . .
C66 C 0.9986(3) 0.2076(3) 0.55386(17) 0.0339(8) Uani 1 1 d . . .
H66A H 0.9881 0.2162 0.5085 0.041 Uiso 1 1 calc R . .
C71 C 0.8061(2) 0.1515(3) 0.44388(14) 0.0244(6) Uani 1 1 d . . .
C72 C 0.7665(3) 0.2454(3) 0.41065(18) 0.0438(9) Uani 1 1 d . . .
H72A H 0.7301 0.2964 0.4299 0.053 Uiso 1 1 calc R . .
C73 C 0.7789(4) 0.2666(4) 0.3497(2) 0.0564(12) Uani 1 1 d . . .
H73A H 0.7519 0.3323 0.3276 0.068 Uiso 1 1 calc R . .
C74 C 0.8304(3) 0.1922(3) 0.32094(16) 0.0401(9) Uani 1 1 d . . .
H74A H 0.8410 0.2076 0.2796 0.048 Uiso 1 1 calc R . .
C75 C 0.8661(3) 0.0966(3) 0.35213(16) 0.0347(8) Uani 1 1 d . . .
H75A H 0.8992 0.0441 0.3316 0.042 Uiso 1 1 calc R . .
C76 C 0.8547(3) 0.0750(3) 0.41371(16) 0.0327(7) Uani 1 1 d . . .
H76A H 0.8799 0.0081 0.4350 0.039 Uiso 1 1 calc R . .
C100 C 1.0713(8) 0.5158(10) 0.5499(5) 0.107(6) Uani 0.50 1 d PD . .
H10A H 1.1234 0.4645 0.5703 0.129 Uiso 0.50 1 d PR . .
H10B H 1.1027 0.5859 0.5471 0.129 Uiso 0.50 1 d PR . .
Cl1 Cl 0.9828(3) 0.5299(3) 0.5978(2) 0.1045(11) Uani 0.50 1 d PD . .
Cl2 Cl 1.0133(4) 0.4694(3) 0.4731(2) 0.1241(14) Uani 0.50 1 d PD . .
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1021/om020431l 2002
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
N3 Re1 N2 101.76(12) . . ?
N3 Re1 C44 126.90(13) . . ?
N2 Re1 C44 90.35(12) . . ?
N3 Re1 C45 99.52(13) . . ?
N2 Re1 C45 120.41(12) . . ?
C44 Re1 C45 35.24(13) . . ?
N3 Re1 C43 158.44(13) . . ?
N2 Re1 C43 92.36(13) . . ?
C44 Re1 C43 35.73(13) . . ?
C45 Re1 C43 59.04(14) . . ?
N3 Re1 C42 133.50(15) . . ?
N2 Re1 C42 124.74(15) . . ?
C44 Re1 C42 59.18(13) . . ?
C45 Re1 C42 58.81(14) . . ?
C43 Re1 C42 35.66(15) . . ?
N3 Re1 C41 102.64(15) . . ?
N2 Re1 C41 148.67(12) . . ?
C44 Re1 C41 59.15(13) . . ?
C45 Re1 C41 35.63(12) . . ?
C43 Re1 C41 59.13(15) . . ?
C42 Re1 C41 35.10(15) . . ?
N3 Re1 P1 91.03(9) . . ?
N2 Re1 P1 88.02(8) . . ?
C44 Re1 P1 141.42(10) . . ?
C45 Re1 P1 146.26(9) . . ?
C43 Re1 P1 105.82(10) . . ?
C42 Re1 P1 90.89(9) . . ?
C41 Re1 P1 110.83(10) . . ?
C71 P1 C51 104.52(14) . . ?
C71 P1 C61 106.51(14) . . ?
C51 P1 C61 105.51(14) . . ?
C71 P1 Re1 115.76(10) . . ?
C51 P1 Re1 112.89(10) . . ?
C61 P1 Re1 110.88(10) . . ?
N2 N1 C1 150.8(3) . . ?
N1 C1 C21 118.9(3) . . ?
N1 C1 C11 116.9(3) . . ?
C21 C1 C11 124.3(3) . . ?
F2 B1 F1 114.1(5) . . ?
F2 B1 F4 107.9(4) . . ?
F1 B1 F4 111.3(4) . . ?
F2 B1 F3 106.6(4) . . ?
F1 B1 F3 108.9(4) . . ?
F4 B1 F3 107.7(4) . . ?
N1 N2 Re1 144.8(2) . . ?
O3 N3 Re1 175.3(3) . . ?
C12 C11 C16 119.1(3) . . ?
C12 C11 C1 121.3(3) . . ?
C16 C11 C1 119.6(3) . . ?
C13 C12 C11 120.4(4) . . ?
C12 C13 C14 120.1(4) . . ?
C15 C14 C13 120.3(3) . . ?
C14 C15 C16 120.1(3) . . ?
C15 C16 C11 120.0(3) . . ?
C26 C21 C22 118.0(3) . . ?
C26 C21 C1 121.3(3) . . ?
C22 C21 C1 120.7(3) . . ?
C23 C22 C21 120.6(3) . . ?
C24 C23 C22 120.4(3) . . ?
C25 C24 C23 119.3(3) . . ?
C24 C25 C26 120.6(3) . . ?
C21 C26 C25 120.9(3) . . ?
C42 C41 C45 107.2(3) . . ?
C42 C41 Re1 71.9(2) . . ?
C45 C41 Re1 71.21(19) . . ?
C41 C42 C43 108.6(3) . . ?
C41 C42 Re1 73.0(2) . . ?
C43 C42 Re1 71.8(2) . . ?
C44 C43 C42 107.4(4) . . ?
C44 C43 Re1 71.9(2) . . ?
C42 C43 Re1 72.6(2) . . ?
C45 C44 C43 108.1(3) . . ?
C45 C44 Re1 72.59(19) . . ?
C43 C44 Re1 72.36(19) . . ?
C44 C45 C41 108.7(3) . . ?
C44 C45 Re1 72.17(19) . . ?
C41 C45 Re1 73.16(19) . . ?
C52 C51 C56 119.1(3) . . ?
C52 C51 P1 122.3(2) . . ?
C56 C51 P1 118.6(3) . . ?
C51 C52 C53 120.4(3) . . ?
C54 C53 C52 120.2(4) . . ?
C53 C54 C55 120.0(4) . . ?
C54 C55 C56 120.4(4) . . ?
C51 C56 C55 119.9(3) . . ?
C66 C61 C62 119.5(3) . . ?
C66 C61 P1 121.7(2) . . ?
C62 C61 P1 118.8(2) . . ?
C63 C62 C61 119.8(3) . . ?
C64 C63 C62 120.2(3) . . ?
C65 C64 C63 120.3(3) . . ?
C64 C65 C66 120.2(4) . . ?
C61 C66 C65 120.1(3) . . ?
C72 C71 C76 118.7(3) . . ?
C72 C71 P1 121.1(2) . . ?
C76 C71 P1 120.1(2) . . ?
C71 C72 C73 121.0(3) . . ?
C74 C73 C72 119.9(4) . . ?
C75 C74 C73 119.7(3) . . ?
C74 C75 C76 120.8(3) . . ?
C71 C76 C75 119.8(3) . . ?
Cl2 C100 Cl2 58.4(7) 3_766 . ?
Cl2 C100 Cl1 58.5(5) 3_766 . ?
Cl2 C100 Cl1 111.6(7) . . ?
Cl2 Cl1 C100 39.6(4) 3_766 . ?
C100 Cl2 Cl2 80.7(7) 3_766 3_766 ?
C100 Cl2 Cl1 81.9(7) 3_766 3_766 ?
Cl2 Cl2 Cl1 147.2(5) 3_766 3_766 ?
C100 Cl2 C100 121.6(7) 3_766 . ?
Cl2 Cl2 C100 40.9(4) 3_766 . ?
Cl1 Cl2 C100 144.9(5) 3_766 . ?
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
Re1 N3 1.761(3) . ?
Re1 N2 1.914(3) . ?
Re1 C44 2.303(3) . ?
Re1 C45 2.308(3) . ?
Re1 C43 2.309(4) . ?
Re1 C42 2.319(4) . ?
Re1 C41 2.334(3) . ?
Re1 P1 2.4015(9) . ?
P1 C71 1.819(3) . ?
P1 C51 1.822(3) . ?
P1 C61 1.822(3) . ?
N1 N2 1.206(4) . ?
N1 C1 1.292(4) . ?
C1 C21 1.482(4) . ?
C1 C11 1.485(4) . ?
F1 B1 1.344(5) . ?
B1 F2 1.332(6) . ?
B1 F4 1.388(5) . ?
B1 F3 1.391(6) . ?
N3 O3 1.187(4) . ?
C11 C12 1.392(5) . ?
C11 C16 1.396(5) . ?
C12 C13 1.381(5) . ?
C13 C14 1.386(6) . ?
C14 C15 1.372(6) . ?
C15 C16 1.393(5) . ?
C21 C26 1.388(5) . ?
C21 C22 1.390(4) . ?
C22 C23 1.390(5) . ?
C23 C24 1.378(6) . ?
C24 C25 1.370(5) . ?
C25 C26 1.386(5) . ?
C41 C42 1.403(6) . ?
C41 C45 1.420(5) . ?
C42 C43 1.417(6) . ?
C43 C44 1.415(5) . ?
C44 C45 1.396(5) . ?
C51 C52 1.387(5) . ?
C51 C56 1.389(5) . ?
C52 C53 1.387(5) . ?
C53 C54 1.371(6) . ?
C54 C55 1.374(6) . ?
C55 C56 1.390(5) . ?
C61 C66 1.384(4) . ?
C61 C62 1.403(4) . ?
C62 C63 1.389(5) . ?
C63 C64 1.384(6) . ?
C64 C65 1.374(6) . ?
C65 C66 1.397(5) . ?
C71 C72 1.377(5) . ?
C71 C76 1.390(4) . ?
C72 C73 1.383(5) . ?
C73 C74 1.379(5) . ?
C74 C75 1.363(5) . ?
C75 C76 1.392(4) . ?
C100 Cl2 1.145(11) 3_766 ?
C100 Cl2 1.727(11) . ?
C100 Cl1 1.780(10) . ?
Cl1 Cl2 1.533(6) 3_766 ?
Cl2 C100 1.145(11) 3_766 ?
Cl2 Cl2 1.491(9) 3_766 ?
Cl2 Cl1 1.533(6) 3_766 ?
