#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/23/4332321.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332321
loop_
_publ_author_name
'Zhao, Shu-Bin'
'Wang, Rui-Yao'
'Wang, Suning'
_publ_section_title
;
 Dinuclear Cu(I) Complexes of 1,2,4,5-Tetra(7-azaindolyl)benzene: 
 Persistent 3-Coordinate Geometry, Luminescence, and Reactivity
;
_journal_issue                   15
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5830
_journal_page_last               5840
_journal_paper_doi               10.1021/ic060237h
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C20.8 H18.4 B0.4 Cu0.8 F1.6 I0.4 N3.2 O0.4'
_chemical_formula_weight         455.90
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.475(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            10
_cell_length_a                   24.954(5)
_cell_length_b                   14.712(3)
_cell_length_c                   14.377(3)
_cell_measurement_temperature    180(2)
_cell_volume                     4877.2(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1993
_diffrn_reflns_av_sigmaI/netI    0.4469
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17687
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    1.568
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.737
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            'light yello'
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2296
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.142
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.811
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         6077
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.811
_refine_ls_R_factor_all          0.3546
_refine_ls_R_factor_gt           0.1055
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2516
_refine_ls_wR_factor_ref         0.3296
_reflns_number_gt                1356
_reflns_number_total             6077
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060237hsup4.cif
_cod_data_source_block           sbcu3b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        4877.1(16)
_cod_original_sg_symbol_H-M      C2/m
_cod_original_formula_sum
'C20.80 H18.40 B0.40 Cu0.80 F1.60 I0.40 N3.20 O0.40'
_cod_database_code               4332321
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
I1 I 0.75822(7) 0.5000 0.55842(11) 0.0793(7) Uani 1 2 d S
Cu1 Cu 0.79693(9) 0.62899(13) 0.68344(13) 0.0706(7) Uani 1 1 d .
N1 N 0.8800(5) 0.6523(8) 0.7217(10) 0.065(4) Uani 1 1 d .
N2 N 0.8686(8) 0.7419(9) 0.5747(10) 0.078(4) Uani 1 1 d .
N3 N 0.7472(5) 0.6757(9) 0.7536(8) 0.066(4) Uani 1 1 d .
N4 N 0.7007(6) 0.7939(8) 0.6392(9) 0.073(4) Uani 1 1 d .
B1 B 1.1338(14) 0.5000 0.948(3) 0.079(11) Uani 1 2 d S
F1 F 1.1883(6) 0.5000 0.9698(10) 0.100(4) Uani 1 2 d S
F2 F 1.0970(7) 0.5000 0.8510(11) 0.127(6) Uani 1 2 d S
F3 F 1.1216(9) 0.3971(15) 0.950(2) 0.122(8) Uani 0.50 1 d P
F4 F 1.120(2) 0.5000 1.033(3) 0.15(2) Uani 0.50 2 d SP
F4A F 1.119(2) 0.459(5) 0.998(4) 0.097(17) Uiso 0.25 1 d P
C1 C 0.9213(8) 0.6191(9) 0.8070(11) 0.069(5) Uani 1 1 d .
H1A H 0.9082 0.5873 0.8519 0.082 Uiso 1 1 calc R
C2 C 0.9795(9) 0.6266(11) 0.8345(13) 0.087(6) Uani 1 1 d .
H2A H 1.0053 0.5995 0.8950 0.105 Uiso 1 1 calc R
C3 C 1.0005(7) 0.6746(13) 0.7728(13) 0.088(6) Uani 1 1 d .
H3A H 1.0411 0.6817 0.7908 0.105 Uiso 1 1 calc R
C4 C 0.9619(9) 0.7119(11) 0.6848(14) 0.078(5) Uani 1 1 d .
C5 C 0.9630(9) 0.7674(13) 0.6047(15) 0.100(6) Uani 1 1 d .
H5A H 0.9964 0.7910 0.5967 0.120 Uiso 1 1 calc R
C6 C 0.9066(10) 0.7799(12) 0.5418(13) 0.093(6) Uani 1 1 d .
H6A H 0.8955 0.8126 0.4802 0.111 Uiso 1 1 calc R
C7 C 0.9031(8) 0.6954(11) 0.6654(12) 0.068(5) Uani 1 1 d .
C8 C 0.7497(7) 0.6392(11) 0.8433(11) 0.079(5) Uani 1 1 d .
H8A H 0.7727 0.5866 0.8688 0.095 Uiso 1 1 calc R
C9 C 0.7203(9) 0.6760(17) 0.8969(13) 0.108(7) Uani 1 1 d .
H9A H 0.7252 0.6499 0.9601 0.129 Uiso 1 1 calc R
C10 C 0.6842(8) 0.7485(15) 0.8635(15) 0.096(6) Uani 1 1 d .
H10A H 0.6633 0.7724 0.9011 0.115 Uiso 1 1 calc R
C11 C 0.6796(8) 0.7837(12) 0.7774(12) 0.077(5) Uani 1 1 d .
C12 C 0.6474(8) 0.8615(14) 0.7169(13) 0.097(6) Uani 1 1 d .
H12A H 0.6223 0.9017 0.7325 0.117 Uiso 1 1 calc R
C13 C 0.6611(7) 0.8639(11) 0.6356(13) 0.087(6) Uani 1 1 d .
H13A H 0.6461 0.9069 0.5826 0.104 Uiso 1 1 calc R
C14 C 0.7128(7) 0.7446(12) 0.7250(11) 0.071(5) Uani 1 1 d .
C15 C 0.7257(8) 0.7761(11) 0.5675(10) 0.067(5) Uani 1 1 d .
C16 C 0.7833(7) 0.7727(9) 0.6020(9) 0.052(4) Uani 1 1 d .
H16A H 0.8072 0.7889 0.6691 0.063 Uiso 1 1 calc R
C17 C 0.8063(7) 0.7432(9) 0.5319(12) 0.060(4) Uani 1 1 d .
C18 C 0.887(2) 1.0000 0.682(3) 0.22(2) Uiso 1 2 d S
C19 C 0.8736(11) 0.9278(15) 0.7591(16) 0.142(16) Uiso 0.50 1 d PG
C20 C 0.8200(11) 0.9648(12) 0.7461(15) 0.109(13) Uiso 0.50 1 d PG
C21 C 0.7905(8) 0.9346(16) 0.8050(19) 0.100(11) Uiso 0.50 1 d PG
C22 C 0.8147(9) 0.8673(16) 0.8768(17) 0.126(15) Uiso 0.50 1 d PG
H22A H 0.7945 0.8466 0.9170 0.152 Uiso 0.50 1 calc PR
C23 C 0.8683(9) 0.8303(11) 0.8897(13) 0.058(8) Uiso 0.50 1 d PG
H23A H 0.8848 0.7843 0.9388 0.070 Uiso 0.50 1 calc PR
C24 C 0.8978(7) 0.8606(14) 0.8308(16) 0.070(9) Uiso 0.50 1 d PG
H24A H 0.9344 0.8353 0.8397 0.084 Uiso 0.50 1 calc PR
C25 C 1.1341(14) 1.0000 0.653(2) 0.120(10) Uiso 1 2 d S
O1 O 1.0825(15) 1.080(3) 0.660(3) 0.180(13) Uiso 0.50 1 d P
C26 C 1.100(4) 1.0000 0.757(6) 0.15(3) Uiso 0.50 2 d SP
C27 C 1.0644(15) 1.042(2) 0.735(3) 0.087(12) Uiso 0.50 1 d P
C28 C 0.945(3) 0.5000 0.574(5) 0.27(3) Uiso 1 2 d S
C29 C 1.010(3) 0.5000 0.575(4) 0.26(2) Uiso 1 2 d S
C30 C 0.949(3) 0.5000 0.482(5) 0.23(2) Uiso 1 2 d S
C31 C 1.090(3) 1.0000 0.582(5) 0.12(2) Uiso 0.50 2 d SP
C32 C 1.047(4) 1.0000 0.615(7) 0.21(4) Uiso 0.50 2 d SP
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
F F 0.0171 0.0103 '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'
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
Cu1 I1 Cu1 96.82(9) . 6_565
N1 Cu1 N3 126.3(5) . .
N1 Cu1 C16 85.4(5) . .
N3 Cu1 C16 86.8(5) . .
N1 Cu1 I1 113.9(4) . .
N3 Cu1 I1 118.3(4) . .
C16 Cu1 I1 111.8(3) . .
C7 N1 C1 111.6(14) . .
C7 N1 Cu1 125.0(11) . .
C1 N1 Cu1 123.2(12) . .
C6 N2 C7 105.2(17) . .
C6 N2 C17 130.0(15) . .
C7 N2 C17 124.8(15) . .
C14 N3 C8 113.0(14) . .
C14 N3 Cu1 125.2(11) . .
C8 N3 Cu1 121.7(12) . .
C14 N4 C13 109.2(13) . .
C14 N4 C15 123.6(13) . .
C13 N4 C15 127.2(14) . .
F4A B1 F4A 67(7) . 6_565
F4A B1 F1 115(4) . .
F4A B1 F1 115(4) 6_565 .
F4A B1 F2 114(4) . .
F4A B1 F2 114(4) 6_565 .
F1 B1 F2 120(3) . .
F4A B1 F4 34(3) . .
F4A B1 F4 34(3) 6_565 .
F1 B1 F4 112(3) . .
F2 B1 F4 128(3) . .
F4A B1 F3 114(5) . 6_565
F4A B1 F3 49(3) 6_565 6_565
F1 B1 F3 101.2(15) . 6_565
F2 B1 F3 87.4(17) . 6_565
F4 B1 F3 82.6(19) . 6_565
F4A B1 F3 49(3) . .
F4A B1 F3 114(5) 6_565 .
F1 B1 F3 101.2(15) . .
F2 B1 F3 87.4(17) . .
F4 B1 F3 82.6(19) . .
F3 B1 F3 157(3) 6_565 .
F4A F3 B1 46(3) . .
F4A F4 F4A 101(10) 6_565 .
F4A F4 B1 52(6) 6_565 .
F4A F4 B1 52(6) . .
F4 F4A B1 93(9) . .
F4 F4A F3 176(10) . .
B1 F4A F3 86(4) . .
F4 F4A F4A 39(6) . 6_565
B1 F4A F4A 57(3) . 6_565
F3 F4A F4A 141(4) . 6_565
C2 C1 N1 126.4(17) . .
C1 C2 C3 118.8(17) . .
C4 C3 C2 119.1(17) . .
C3 C4 C7 115.1(17) . .
C3 C4 C5 138(2) . .
C7 C4 C5 106.4(18) . .
C6 C5 C4 106.3(18) . .
N2 C6 C5 113.6(18) . .
N1 C7 C4 129.0(16) . .
N1 C7 N2 122.4(17) . .
C4 C7 N2 108.4(18) . .
C9 C8 N3 122.3(17) . .
C10 C9 C8 122.6(19) . .
C11 C10 C9 116.9(18) . .
C10 C11 C14 118.6(17) . .
C10 C11 C12 134.3(18) . .
C14 C11 C12 107.1(14) . .
C13 C12 C11 105.9(16) . .
C12 C13 N4 111.0(16) . .
N3 C14 N4 126.7(15) . .
N3 C14 C11 126.5(15) . .
N4 C14 C11 106.8(14) . .
C16 C15 C17 119.7(14) . 7_666
C16 C15 N4 116.7(14) . .
C17 C15 N4 123.5(16) 7_666 .
C15 C16 C17 115.0(13) . .
C15 C16 Cu1 98.5(10) . .
C17 C16 Cu1 93.4(9) . .
C15 C17 C16 125.2(15) 7_666 .
C15 C17 N2 123.1(15) 7_666 .
C16 C17 N2 111.6(15) . .
C19 C18 C19 80(3) . 6_575
C20 C19 C24 120.0 . .
C20 C19 C18 95(2) . .
C24 C19 C18 144(2) . .
C20 C19 C20 27.9(7) . 6_575
C24 C19 C20 134.8(2) . 6_575
C18 C19 C20 75(2) . 6_575
C20 C20 C21 108.7 6_575 .
C20 C20 C19 113.1 6_575 .
C21 C20 C19 120.0 . .
C20 C20 C21 41.7(9) 6_575 6_575
C21 C20 C21 67.0(9) . 6_575
C19 C20 C21 137.0(3) . 6_575
C20 C20 C19 39.0(13) 6_575 6_575
C21 C20 C19 132.6(11) . 6_575
C19 C20 C19 74.1(13) . 6_575
C21 C20 C19 73.7(12) 6_575 6_575
C20 C21 C22 120.0 . .
C20 C21 C21 71.3 . 6_575
C22 C21 C21 135.4 . 6_575
C20 C21 C20 29.7(7) . 6_575
C22 C21 C20 136.3(3) . 6_575
C21 C21 C20 41.7(7) 6_575 6_575
C23 C22 C21 120.0 . .
C24 C23 C22 120.0 . .
C23 C24 C19 120.0 . .
C31 C25 O1 66(3) . .
C31 C25 O1 66(3) . 6_575
O1 C25 O1 83(3) . 6_575
C31 C25 C26 97(5) . .
O1 C25 C26 55.3(19) . .
O1 C25 C26 55.3(19) 6_575 .
C31 C25 C32 39(4) . .
O1 C25 C32 44.5(16) . .
O1 C25 C32 44.5(16) 6_575 .
C26 C25 C32 59(4) . .
C27 O1 C32 73(4) . .
C27 O1 C31 112(3) . .
C32 O1 C31 50(4) . .
C27 O1 C26 36(3) . .
C32 O1 C26 75(4) . .
C31 O1 C26 90(3) . .
C27 O1 C25 103(3) . .
C32 O1 C25 77(4) . .
C31 O1 C25 40(2) . .
C26 O1 C25 68(3) . .
C27 C26 C27 73(7) . 6_575
C27 C26 O1 103(6) . 6_575
C27 C26 O1 55(4) 6_575 6_575
C27 C26 O1 55(4) . .
C27 C26 O1 103(6) 6_575 .
O1 C26 O1 84(4) 6_575 .
C27 C26 C32 61(5) . .
C27 C26 C32 61(5) 6_575 .
O1 C26 C32 46(2) 6_575 .
O1 C26 C32 46(2) . .
C27 C26 C25 110(6) . .
C27 C26 C25 110(6) 6_575 .
O1 C26 C25 57(3) 6_575 .
O1 C26 C25 57(3) . .
C32 C26 C25 62(4) . .
C26 C27 C27 53(4) . 6_575
C26 C27 O1 88(5) . .
C27 C27 O1 113(2) 6_575 .
C26 C27 C32 87(6) . .
C27 C27 C32 68.9(16) 6_575 .
O1 C27 C32 55(3) . .
C30 C28 C29 65(4) . .
C30 C29 C30 100(5) 5_766 .
C30 C29 C28 150(6) 5_766 .
C30 C29 C28 50(4) . .
C30 C29 C29 52(4) 5_766 5_766
C30 C29 C29 49(3) . 5_766
C28 C29 C29 99(5) . 5_766
C28 C30 C29 145(7) . 5_766
C28 C30 C29 65(4) . .
C29 C30 C29 80(5) 5_766 .
C25 C31 C32 108(7) . .
C25 C31 O1 74(3) . .
C32 C31 O1 57(3) . .
C25 C31 O1 74(3) . 6_575
C32 C31 O1 57(3) . 6_575
O1 C31 O1 89(4) . 6_575
C31 C32 O1 73(5) . .
C31 C32 O1 73(5) . 6_575
O1 C32 O1 106(7) . 6_575
C31 C32 C27 115(7) . .
O1 C32 C27 53(3) . .
O1 C32 C27 88(5) 6_575 .
C31 C32 C27 115(7) . 6_575
O1 C32 C27 88(5) . 6_575
O1 C32 C27 53(3) 6_575 6_575
C27 C32 C27 42(3) . 6_575
C31 C32 C26 93(6) . .
O1 C32 C26 59(4) . .
O1 C32 C26 59(4) 6_575 .
C27 C32 C26 32(2) . .
C27 C32 C26 32(2) 6_575 .
C31 C32 C25 34(4) . .
O1 C32 C25 58(4) . .
O1 C32 C25 58(4) 6_575 .
C27 C32 C25 84(4) . .
C27 C32 C25 84(4) 6_575 .
C26 C32 C25 59(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Cu1 2.537(2) .
I1 Cu1 2.537(2) 6_565
Cu1 N1 1.960(13) .
Cu1 N3 1.996(13) .
Cu1 C16 2.377(12) .
N1 C7 1.321(19) .
N1 C1 1.357(17) .
N2 C6 1.33(2) .
N2 C7 1.433(18) .
N2 C17 1.437(19) .
N3 C14 1.290(17) .
N3 C8 1.376(18) .
N4 C14 1.363(17) .
N4 C13 1.416(17) .
N4 C15 1.418(17) .
B1 F4A 1.11(6) .
B1 F4A 1.11(6) 6_565
B1 F1 1.27(3) .
B1 F2 1.34(3) .
B1 F4 1.39(5) .
B1 F3 1.55(2) 6_565
B1 F3 1.55(2) .
F3 F4A 1.16(5) .
F4 F4A 0.78(5) 6_565
F4 F4A 0.78(5) .
F4A F4A 1.21(14) 6_565
C1 C2 1.36(2) .
C2 C3 1.39(2) .
C3 C4 1.38(2) .
C4 C7 1.41(2) .
C4 C5 1.42(2) .
C5 C6 1.36(2) .
C8 C9 1.36(2) .
C9 C10 1.36(2) .
C10 C11 1.31(2) .
C11 C14 1.44(2) .
C11 C12 1.48(2) .
C12 C13 1.34(2) .
C15 C16 1.330(19) .
C15 C17 1.374(19) 7_666
C16 C17 1.404(18) .
C17 C15 1.374(19) 7_666
C18 C19 1.65(4) .
C18 C19 1.65(4) 6_575
C19 C20 1.3900 .
C19 C24 1.3900 .
C19 C20 2.03(3) 6_575
C20 C20 1.03(4) 6_575
C20 C21 1.3900 .
C20 C21 1.98(3) 6_575
C20 C19 2.03(3) 6_575
C21 C22 1.3900 .
C21 C21 1.92(5) 6_575
C21 C20 1.98(3) 6_575
C22 C23 1.3900 .
C23 C24 1.3900 .
C25 C31 1.19(6) .
C25 O1 1.77(4) .
C25 O1 1.77(4) 6_575
C25 C26 1.97(8) .
C25 C32 2.03(10) .
O1 C27 1.43(4) .
O1 C32 1.46(6) .
O1 C31 1.67(5) .
O1 C26 1.74(6) .
C26 C27 1.04(6) .
C26 C27 1.04(6) 6_575
C26 O1 1.74(6) 6_575
C26 C32 1.96(12) .
C27 C27 1.23(7) 6_575
C27 C32 1.71(9) .
C28 C30 1.35(7) .
C28 C29 1.61(8) .
C29 C30 1.54(6) 5_766
C29 C30 1.61(6) .
C29 C29 2.02(11) 5_766
C30 C29 1.54(6) 5_766
C31 C32 1.33(10) .
C31 O1 1.67(5) 6_575
C32 O1 1.46(6) 6_575
C32 C27 1.71(9) 6_575
