#------------------------------------------------------------------------------
#$Date: 2021-03-05 04:00:24 +0200 (Fri, 05 Mar 2021) $
#$Revision: 262628 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/62/7706220.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_7706220
loop_
_publ_author_name
'Zhan, Shun-Ze'
'Chen, Wei'
'Zheng, Ji'
'Ng, Seik Weng'
'Li, Dan'
_publ_section_title
;
 Luminescent polymorphic aggregates of trinuclear Cu(I)-pyrazolate tuned
 by intertrimeric CuNPy weak coordination bonds.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1733
_journal_page_last               1739
_journal_paper_doi               10.1039/d0dt03661g
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C30 H30 Cu3 N9 S3, C8 H10'
_chemical_formula_sum            'C38 H40 Cu3 N9 S3'
_chemical_formula_weight         909.59
_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
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-11-20 deposited with the CCDC.	2020-12-24 downloaded from the CCDC.
;
_cell_angle_alpha                117.989(8)
_cell_angle_beta                 93.212(6)
_cell_angle_gamma                111.492(7)
_cell_formula_units_Z            2
_cell_length_a                   11.7467(8)
_cell_length_b                   14.2967(11)
_cell_length_c                   14.4607(11)
_cell_measurement_reflns_used    4331
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.0780
_cell_measurement_theta_min      3.7710
_cell_volume                     1917.0(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.67a (Rigaku OD, 2020)'
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        'CrysAlisPro 1.171.41.67a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4098
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_unetI/netI     0.1118
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17904
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.598
_diffrn_reflns_theta_min         3.321
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.854
_exptl_absorpt_correction_T_max  0.860
_exptl_absorpt_correction_T_min  0.774
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.67a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             932
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.724
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         8561
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.1159
_refine_ls_R_factor_gt           0.0757
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0910P)²+3.2560P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1881
_refine_ls_wR_factor_ref         0.2101
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5764
_reflns_number_total             8561
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03661g2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7706219--7706223.cif.'
_cod_database_code               7706220
_shelx_shelxl_version_number     2018/3
_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_min   0.708
_shelx_estimated_absorpt_t_max   0.836
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
Cu1 Cu 0.96550(7) 0.61477(7) 0.72423(6) 0.0193(2) Uani 1 1 d . . . . .
Cu2 Cu 0.73107(8) 0.35967(7) 0.66096(6) 0.0211(2) Uani 1 1 d . . . . .
Cu3 Cu 0.89157(7) 0.55853(8) 0.91649(7) 0.0219(2) Uani 1 1 d . . . . .
S1 S 0.68948(16) 0.38410(16) 0.28045(13) 0.0214(4) Uani 1 1 d . . . . .
S2 S 0.51387(16) 0.16892(17) 0.91311(16) 0.0258(4) Uani 1 1 d . . . . .
S3 S 1.32574(15) 1.00793(15) 1.12723(14) 0.0215(4) Uani 1 1 d . . . . .
N1 N 0.8636(5) 0.5006(5) 0.5796(4) 0.0174(11) Uani 1 1 d . . . . .
N2 N 0.7733(5) 0.3895(5) 0.5503(4) 0.0163(11) Uani 1 1 d . . . . .
N3 N 0.4573(6) 0.5949(6) 0.3448(5) 0.0278(14) Uani 1 1 d . . . . .
N4 N 0.7033(5) 0.3232(5) 0.7694(4) 0.0186(12) Uani 1 1 d . . . . .
N5 N 0.7726(5) 0.4071(5) 0.8775(4) 0.0162(11) Uani 1 1 d . . . . .
N6 N 0.2303(5) 0.3271(6) 0.9896(5) 0.0276(14) Uani 1 1 d . . . . .
N7 N 1.0341(5) 0.6960(5) 0.9482(4) 0.0179(12) Uani 1 1 d . . . . .
N8 N 1.0763(5) 0.7130(5) 0.8661(4) 0.0190(12) Uani 1 1 d . . . . .
N9 N 1.1210(5) 1.2436(5) 1.2464(5) 0.0251(13) Uani 1 1 d . . . . .
C1 C 0.9344(6) 0.6223(6) 0.4974(6) 0.0234(15) Uani 1 1 d . . . . .
H1A H 1.019714 0.656941 0.544864 0.035 Uiso 1 1 calc R U . . .
H1B H 0.899003 0.679330 0.525758 0.035 Uiso 1 1 calc R U . . .
H1C H 0.939710 0.602360 0.423591 0.035 Uiso 1 1 calc R U . . .
C2 C 0.8508(6) 0.5135(6) 0.4945(5) 0.0168(13) Uani 1 1 d . . . . .
C3 C 0.7490(6) 0.4090(6) 0.4079(5) 0.0190(14) Uani 1 1 d . . . . .
C4 C 0.7051(6) 0.3351(6) 0.4476(5) 0.0198(14) Uani 1 1 d . . . . .
C5 C 0.6029(6) 0.2100(6) 0.3915(6) 0.0239(15) Uani 1 1 d . . . . .
H5A H 0.556305 0.199431 0.442639 0.036 Uiso 1 1 calc R U . . .
H5B H 0.641826 0.155597 0.366131 0.036 Uiso 1 1 calc R U . . .
H5C H 0.543991 0.193445 0.328998 0.036 Uiso 1 1 calc R U . . .
C6 C 0.6016(6) 0.4662(6) 0.3096(5) 0.0191(14) Uani 1 1 d . . . . .
C7 C 0.5925(6) 0.5351(6) 0.4133(6) 0.0226(15) Uani 1 1 d . . . . .
H7 H 0.635773 0.540659 0.474549 0.027 Uiso 1 1 calc R U . . .
C8 C 0.5192(6) 0.5955(6) 0.4260(6) 0.0244(15) Uani 1 1 d . . . . .
H8 H 0.512590 0.640390 0.497127 0.029 Uiso 1 1 calc R U . . .
C9 C 0.4675(6) 0.5278(6) 0.2452(6) 0.0226(15) Uani 1 1 d . . . . .
H9 H 0.424740 0.525296 0.185713 0.027 Uiso 1 1 calc R U . . .
C10 C 0.5343(6) 0.4634(6) 0.2234(5) 0.0214(14) Uani 1 1 d . . . . .
H10 H 0.535796 0.416789 0.150701 0.026 Uiso 1 1 calc R U . . .
C11 C 0.5145(7) 0.1301(7) 0.6617(6) 0.0327(18) Uani 1 1 d . . . . .
H11A H 0.556787 0.088011 0.613315 0.049 Uiso 1 1 calc R U . . .
H11B H 0.474254 0.158887 0.626675 0.049 Uiso 1 1 calc R U . . .
H11C H 0.449443 0.076164 0.676165 0.049 Uiso 1 1 calc R U . . .
C12 C 0.6101(6) 0.2320(6) 0.7661(6) 0.0209(14) Uani 1 1 d . . . . .
C13 C 0.6198(6) 0.2527(6) 0.8709(5) 0.0209(14) Uani 1 1 d . . . . .
C14 C 0.7241(6) 0.3638(6) 0.9384(5) 0.0171(13) Uani 1 1 d . . . . .
C15 C 0.7808(7) 0.4308(6) 1.0597(6) 0.0236(15) Uani 1 1 d . . . . .
H15A H 0.857617 0.503333 1.081998 0.035 Uiso 1 1 calc R U . . .
H15B H 0.803136 0.381465 1.079213 0.035 Uiso 1 1 calc R U . . .
H15C H 0.718758 0.451375 1.096922 0.035 Uiso 1 1 calc R U . . .
C16 C 0.4039(6) 0.2293(6) 0.9381(5) 0.0188(14) Uani 1 1 d . . . . .
C17 C 0.4092(6) 0.3168(6) 0.9191(6) 0.0249(15) Uani 1 1 d . . . . .
H17 H 0.472183 0.346011 0.888378 0.030 Uiso 1 1 calc R U . . .
C18 C 0.3219(7) 0.3606(7) 0.9453(7) 0.0302(17) Uani 1 1 d . . . . .
H18 H 0.326914 0.419984 0.930671 0.036 Uiso 1 1 calc R U . . .
C19 C 0.2253(6) 0.2415(6) 1.0059(5) 0.0238(15) Uani 1 1 d . . . . .
H19 H 0.160271 0.213398 1.035506 0.029 Uiso 1 1 calc R U . . .
C20 C 0.3079(6) 0.1906(6) 0.9827(5) 0.0215(14) Uani 1 1 d . . . . .
H20 H 0.299549 0.130193 0.996898 0.026 Uiso 1 1 calc R U . . .
C21 C 1.0948(6) 0.7965(7) 1.1490(5) 0.0245(15) Uani 1 1 d . . . . .
H21A H 1.022503 0.723843 1.133241 0.037 Uiso 1 1 calc R U . . .
H21B H 1.078408 0.864564 1.193303 0.037 Uiso 1 1 calc R U . . .
H21C H 1.172227 0.805823 1.189074 0.037 Uiso 1 1 calc R U . . .
C22 C 1.1115(6) 0.7891(6) 1.0455(5) 0.0186(14) Uani 1 1 d . . . . .
C23 C 1.2067(6) 0.8686(6) 1.0273(5) 0.0172(13) Uani 1 1 d . . . . .
C24 C 1.1791(6) 0.8180(6) 0.9156(5) 0.0193(14) Uani 1 1 d . . . . .
C25 C 1.2509(6) 0.8599(6) 0.8481(6) 0.0228(15) Uani 1 1 d . . . . .
H25A H 1.211445 0.798882 0.770542 0.034 Uiso 1 1 calc R U . . .
H25B H 1.339726 0.875091 0.867973 0.034 Uiso 1 1 calc R U . . .
H25C H 1.248041 0.932951 0.862004 0.034 Uiso 1 1 calc R U . . .
C26 C 1.2425(6) 1.0956(6) 1.1710(5) 0.0173(13) Uani 1 1 d . . . . .
C27 C 1.1097(6) 1.0494(6) 1.1360(5) 0.0228(15) Uani 1 1 d . . . . .
H27 H 1.057837 0.967104 1.086885 0.027 Uiso 1 1 calc R U . . .
C28 C 1.0576(7) 1.1262(7) 1.1745(6) 0.0253(15) Uani 1 1 d . . . . .
H28 H 0.967859 1.093944 1.148101 0.030 Uiso 1 1 calc R U . . .
C29 C 1.2493(6) 1.2863(6) 1.2792(5) 0.0228(15) Uani 1 1 d . . . . .
H29 H 1.298701 1.368905 1.329065 0.027 Uiso 1 1 calc R U . . .
C30 C 1.3120(6) 1.2159(6) 1.2439(5) 0.0212(14) Uani 1 1 d . . . . .
H30 H 1.402042 1.250098 1.269691 0.025 Uiso 1 1 calc R U . . .
C31 C 0.1479(4) 0.0518(4) 0.6672(3) 0.0380(19) Uani 1 1 d G . . . .
H31 H 0.131982 0.090800 0.735509 0.046 Uiso 1 1 calc R U . . .
C32 C 0.1504(5) -0.0562(4) 0.6299(4) 0.039(2) Uani 1 1 d G . . . .
H32 H 0.136136 -0.091163 0.672742 0.047 Uiso 1 1 calc R U . . .
C33 C 0.1737(5) -0.1132(3) 0.5299(4) 0.0362(19) Uani 1 1 d G . . . .
H33 H 0.175340 -0.187118 0.504372 0.043 Uiso 1 1 calc R U . . .
C34 C 0.1945(4) -0.0622(4) 0.4671(3) 0.0358(19) Uani 1 1 d G . . . .
H34 H 0.210389 -0.101111 0.398767 0.043 Uiso 1 1 calc R U . . .
C35 C 0.1920(4) 0.0459(4) 0.5044(4) 0.0357(19) Uani 1 1 d DG . . . .
C36 C 0.1687(4) 0.1029(3) 0.6044(4) 0.0312(17) Uani 1 1 d DG . . . .
C37 C 0.1644(6) 0.2211(6) 0.6481(7) 0.043(2) Uani 1 1 d D . . . .
H37A H 0.245139 0.279398 0.652587 0.065 Uiso 1 1 calc R U . . .
H37B H 0.151079 0.248578 0.720794 0.065 Uiso 1 1 calc R U . . .
H37C H 0.094335 0.211448 0.598967 0.065 Uiso 1 1 calc R U . . .
C38 C 0.2146(7) 0.1005(8) 0.4353(7) 0.055(3) Uani 1 1 d D . . . .
H38A H 0.247845 0.058633 0.376775 0.082 Uiso 1 1 calc R U . . .
H38B H 0.276418 0.184024 0.480825 0.082 Uiso 1 1 calc R U . . .
H38C H 0.134153 0.094098 0.403650 0.082 Uiso 1 1 calc R U . . .
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'
S S 0.1246 0.1234 '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'
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
N8 Cu1 N1 171.8(2) . . ?
N8 Cu1 N9 92.4(2) . 2_777 ?
N1 Cu1 N9 95.8(2) . 2_777 ?
N4 Cu2 N2 173.3(2) . . ?
N5 Cu3 N7 168.1(2) . . ?
C3 S1 C6 102.9(3) . . ?
C13 S2 C16 102.1(3) . . ?
C23 S3 C26 103.1(3) . . ?
C2 N1 N2 108.5(5) . . ?
C2 N1 Cu1 129.0(5) . . ?
N2 N1 Cu1 122.0(4) . . ?
C4 N2 N1 108.2(5) . . ?
C4 N2 Cu2 129.3(4) . . ?
N1 N2 Cu2 118.9(4) . . ?
C8 N3 C9 115.3(6) . . ?
C12 N4 N5 108.1(5) . . ?
C12 N4 Cu2 130.7(5) . . ?
N5 N4 Cu2 120.3(4) . . ?
C14 N5 N4 108.0(5) . . ?
C14 N5 Cu3 131.3(5) . . ?
N4 N5 Cu3 120.0(4) . . ?
C19 N6 C18 114.7(6) . . ?
C22 N7 N8 109.2(5) . . ?
C22 N7 Cu3 128.7(5) . . ?
N8 N7 Cu3 122.1(4) . . ?
C24 N8 N7 107.0(5) . . ?
C24 N8 Cu1 132.6(5) . . ?
N7 N8 Cu1 118.1(4) . . ?
C28 N9 C29 114.8(6) . . ?
C28 N9 Cu1 124.5(4) . 2_777 ?
C29 N9 Cu1 117.9(5) . 2_777 ?
N1 C2 C3 108.5(6) . . ?
N1 C2 C1 122.7(6) . . ?
C3 C2 C1 128.9(6) . . ?
C4 C3 C2 105.2(6) . . ?
C4 C3 S1 128.5(5) . . ?
C2 C3 S1 126.3(5) . . ?
N2 C4 C3 109.6(6) . . ?
N2 C4 C5 120.4(6) . . ?
C3 C4 C5 129.9(6) . . ?
C7 C6 C10 116.5(6) . . ?
C7 C6 S1 124.4(5) . . ?
C10 C6 S1 119.1(5) . . ?
C8 C7 C6 119.1(6) . . ?
N3 C8 C7 124.6(6) . . ?
N3 C9 C10 124.9(6) . . ?
C9 C10 C6 119.6(6) . . ?
N4 C12 C13 109.4(6) . . ?
N4 C12 C11 121.1(6) . . ?
C13 C12 C11 129.4(7) . . ?
C12 C13 C14 105.3(6) . . ?
C12 C13 S2 127.8(6) . . ?
C14 C13 S2 126.5(5) . . ?
N5 C14 C13 109.2(6) . . ?
N5 C14 C15 121.7(6) . . ?
C13 C14 C15 129.1(6) . . ?
C17 C16 C20 117.1(6) . . ?
C17 C16 S2 123.5(5) . . ?
C20 C16 S2 119.3(5) . . ?
C18 C17 C16 118.7(6) . . ?
N6 C18 C17 125.7(7) . . ?
N6 C19 C20 124.8(6) . . ?
C19 C20 C16 118.9(6) . . ?
N7 C22 C23 107.7(6) . . ?
N7 C22 C21 122.5(6) . . ?
C23 C22 C21 129.8(6) . . ?
C24 C23 C22 106.1(6) . . ?
C24 C23 S3 127.5(5) . . ?
C22 C23 S3 126.2(5) . . ?
N8 C24 C23 110.0(6) . . ?
N8 C24 C25 119.9(6) . . ?
C23 C24 C25 130.0(6) . . ?
C30 C26 C27 118.0(6) . . ?
C30 C26 S3 118.3(5) . . ?
C27 C26 S3 123.6(5) . . ?
C28 C27 C26 117.9(7) . . ?
N9 C28 C27 126.2(7) . . ?
N9 C29 C30 123.5(7) . . ?
C26 C30 C29 119.4(6) . . ?
C32 C31 C36 120.0 . . ?
C31 C32 C33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C33 C34 C35 120.0 . . ?
C34 C35 C36 120.0 . . ?
C34 C35 C38 119.5(5) . . ?
C36 C35 C38 120.5(5) . . ?
C35 C36 C31 120.0 . . ?
C35 C36 C37 121.7(5) . . ?
C31 C36 C37 118.3(5) . . ?
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
Cu1 N8 1.879(5) . ?
Cu1 N1 1.886(5) . ?
Cu1 N9 2.461(6) 2_777 ?
Cu2 N4 1.880(5) . ?
Cu2 N2 1.888(5) . ?
Cu3 N5 1.873(6) . ?
Cu3 N7 1.880(6) . ?
S1 C3 1.752(6) . ?
S1 C6 1.760(7) . ?
S2 C13 1.742(7) . ?
S2 C16 1.767(6) . ?
S3 C23 1.744(7) . ?
S3 C26 1.775(6) . ?
N1 C2 1.334(8) . ?
N1 N2 1.383(7) . ?
N2 C4 1.333(8) . ?
N3 C8 1.341(9) . ?
N3 C9 1.348(9) . ?
N4 C12 1.338(8) . ?
N4 N5 1.389(7) . ?
N5 C14 1.338(8) . ?
N6 C19 1.333(9) . ?
N6 C18 1.336(9) . ?
N7 C22 1.339(8) . ?
N7 N8 1.400(7) . ?
N8 C24 1.338(8) . ?
N9 C28 1.347(9) . ?
N9 C29 1.358(9) . ?
C1 C2 1.483(9) . ?
C2 C3 1.413(9) . ?
C3 C4 1.384(9) . ?
C4 C5 1.501(9) . ?
C6 C7 1.392(9) . ?
C6 C10 1.413(9) . ?
C7 C8 1.392(9) . ?
C9 C10 1.360(9) . ?
C11 C12 1.487(10) . ?
C12 C13 1.391(9) . ?
C13 C14 1.400(10) . ?
C14 C15 1.505(9) . ?
C16 C17 1.383(9) . ?
C16 C20 1.398(9) . ?
C17 C18 1.371(9) . ?
C19 C20 1.381(9) . ?
C21 C22 1.480(9) . ?
C22 C23 1.412(9) . ?
C23 C24 1.382(9) . ?
C24 C25 1.515(9) . ?
C26 C30 1.382(9) . ?
C26 C27 1.403(9) . ?
C27 C28 1.359(10) . ?
C29 C30 1.386(9) . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C35 C38 1.511(7) . ?
C36 C37 1.524(7) . ?
