#------------------------------------------------------------------------------
#$Date: 2019-11-25 13:02:34 +0200 (Mon, 25 Nov 2019) $
#$Revision: 240915 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/04/4130499.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_4130499
loop_
_publ_author_name
'Tan, Gengwen'
'Li, Shuyu'
'Chen, Sheng'
'Sui, Yunxia'
'Zhao, Yue'
'Wang, Xinping'
_publ_section_title
;
 Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion.
;
_journal_issue                   21
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6735
_journal_page_last               6738
_journal_paper_doi               10.1021/jacs.6b04081
_journal_volume                  138
_journal_year                    2016
_chemical_formula_sum            'C76 H108 K O8 P2'
_chemical_formula_weight         1250.66
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.74(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.392(3)
_cell_length_b                   17.887(4)
_cell_length_c                   15.880(3)
_cell_measurement_reflns_used    6322
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.09
_cell_volume                     3623.1(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.1765
_diffrn_reflns_av_sigmaI/netI    0.2028
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20224
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    0.170
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5447
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1354
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.511
_refine_diff_density_min         -0.680
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6322
_refine_ls_number_restraints     93
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.2061
_refine_ls_R_factor_gt           0.0883
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0948P)²+1.0338P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1865
_refine_ls_wR_factor_ref         0.2356
_reflns_number_gt                2844
_reflns_number_total             6322
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja6b04081_si_001.cif
_cod_data_source_block           1-
_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/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3623.2(13)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4130499
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
K1 K 1.0000 0.0000 1.0000 0.0410(5) Uani 1 2 d S . .
O1 O 1.1247(3) 0.1172(2) 0.9686(3) 0.0544(12) Uani 1 1 d . . .
O2 O 0.9633(3) 0.1497(2) 1.0378(3) 0.0541(12) Uani 1 1 d . . .
O3 O 0.8683(3) 0.0307(3) 1.1006(3) 0.0517(12) Uani 1 1 d . . .
P1 P 0.77003(12) 0.42413(8) 0.12356(10) 0.0329(4) Uani 1 1 d . . .
C1 C 0.8332(4) 0.4276(3) 0.0427(3) 0.0251(12) Uani 1 1 d . . .
C2 C 0.9168(4) 0.4705(3) 0.0287(3) 0.0251(12) Uani 1 1 d . . .
C3 C 0.9458(4) 0.4388(3) -0.0447(3) 0.0247(12) Uani 1 1 d . . .
C4 C 0.8741(4) 0.3777(3) -0.0800(3) 0.0273(13) Uani 1 1 d . . .
C5 C 0.8060(4) 0.3709(3) -0.0278(3) 0.0253(12) Uani 1 1 d . . .
C6 C 0.7258(4) 0.3179(3) -0.0512(4) 0.0386(15) Uani 1 1 d . . .
H6 H 0.6799 0.3118 -0.0163 0.046 Uiso 1 1 calc R . .
C7 C 0.7139(5) 0.2749(3) -0.1250(4) 0.0511(18) Uani 1 1 d . . .
H7 H 0.6574 0.2403 -0.1423 0.061 Uiso 1 1 calc R . .
C8 C 0.7825(5) 0.2805(3) -0.1751(4) 0.0456(16) Uani 1 1 d . . .
H8 H 0.7745 0.2485 -0.2245 0.055 Uiso 1 1 calc R . .
C9 C 0.8627(4) 0.3329(3) -0.1530(4) 0.0337(14) Uani 1 1 d . . .
H9 H 0.9090 0.3379 -0.1876 0.040 Uiso 1 1 calc R . .
C10 C 0.9731(4) 0.5332(3) 0.0719(3) 0.0263(13) Uani 1 1 d . . .
H10 H 0.9554 0.5560 0.1194 0.032 Uiso 1 1 calc R . .
C11 C 0.8262(4) 0.5035(3) 0.1980(3) 0.0266(12) Uani 1 1 d . . .
C12 C 0.9243(4) 0.4954(3) 0.2688(3) 0.0296(13) Uani 1 1 d . . .
C13 C 0.9696(4) 0.5593(3) 0.3142(4) 0.0311(13) Uani 1 1 d . . .
H13 H 1.0346 0.5540 0.3594 0.037 Uiso 1 1 calc R . .
C14 C 0.9266(4) 0.6300(3) 0.2981(3) 0.0284(13) Uani 1 1 d . . .
C15 C 0.8286(4) 0.6350(3) 0.2353(3) 0.0309(14) Uani 1 1 d . . .
H15 H 0.7949 0.6823 0.2256 0.037 Uiso 1 1 calc R . .
C16 C 0.7772(4) 0.5743(3) 0.1857(3) 0.0267(12) Uani 1 1 d . . .
C17 C 0.6640(4) 0.5894(3) 0.1209(4) 0.0380(15) Uani 1 1 d . . .
C18 C 0.5846(4) 0.5341(4) 0.1409(4) 0.0533(18) Uani 1 1 d . . .
H18A H 0.5858 0.5398 0.2026 0.080 Uiso 1 1 calc R . .
H18B H 0.6039 0.4827 0.1309 0.080 Uiso 1 1 calc R . .
H18C H 0.5139 0.5448 0.1017 0.080 Uiso 1 1 calc R . .
C19 C 0.6640(5) 0.5833(4) 0.0242(4) 0.0549(18) Uani 1 1 d . . .
H19A H 0.6810 0.5319 0.0121 0.082 Uiso 1 1 calc R . .
H19B H 0.7165 0.6175 0.0143 0.082 Uiso 1 1 calc R . .
H19C H 0.5945 0.5966 -0.0153 0.082 Uiso 1 1 calc R . .
C20 C 0.6240(5) 0.6671(3) 0.1327(4) 0.0540(18) Uani 1 1 d . . .
H20A H 0.5519 0.6728 0.0939 0.081 Uiso 1 1 calc R . .
H20B H 0.6688 0.7048 0.1174 0.081 Uiso 1 1 calc R . .
H20C H 0.6257 0.6738 0.1944 0.081 Uiso 1 1 calc R . .
C21 C 0.9762(4) 0.6986(3) 0.3509(4) 0.0340(14) Uani 1 1 d . . .
C22 C 0.9186(5) 0.7163(4) 0.4186(4) 0.063(2) Uani 1 1 d . . .
H22A H 0.8447 0.7269 0.3876 0.095 Uiso 1 1 calc R . .
H22B H 0.9508 0.7601 0.4536 0.095 Uiso 1 1 calc R . .
H22C H 0.9235 0.6733 0.4579 0.095 Uiso 1 1 calc R . .
C23 C 1.0918(5) 0.6865(4) 0.4000(4) 0.060(2) Uani 1 1 d . . .
H23A H 1.0990 0.6469 0.4441 0.090 Uiso 1 1 calc R . .
H23B H 1.1221 0.7330 0.4297 0.090 Uiso 1 1 calc R . .
H23C H 1.1287 0.6719 0.3579 0.090 Uiso 1 1 calc R . .
C24 C 0.9663(5) 0.7669(3) 0.2907(4) 0.0564(19) Uani 1 1 d . . .
H24A H 0.9997 0.7562 0.2450 0.085 Uiso 1 1 calc R . .
H24B H 1.0009 0.8099 0.3259 0.085 Uiso 1 1 calc R . .
H24C H 0.8921 0.7784 0.2626 0.085 Uiso 1 1 calc R . .
C25 C 0.9813(4) 0.4196(3) 0.2982(4) 0.0350(14) Uani 1 1 d . . .
C26 C 0.9071(5) 0.3641(3) 0.3218(5) 0.0549(18) Uani 1 1 d . . .
H26A H 0.8860 0.3837 0.3715 0.082 Uiso 1 1 calc R . .
H26B H 0.9429 0.3161 0.3385 0.082 Uiso 1 1 calc R . .
H26C H 0.8448 0.3570 0.2706 0.082 Uiso 1 1 calc R . .
C27 C 1.0247(5) 0.3864(3) 0.2271(4) 0.0409(15) Uani 1 1 d . . .
H27A H 1.0686 0.3429 0.2514 0.061 Uiso 1 1 calc R . .
H27B H 1.0668 0.4241 0.2087 0.061 Uiso 1 1 calc R . .
H27C H 0.9663 0.3709 0.1760 0.061 Uiso 1 1 calc R . .
C28 C 1.0742(5) 0.4282(3) 0.3836(4) 0.0463(16) Uani 1 1 d . . .
H28A H 1.0494 0.4507 0.4299 0.069 Uiso 1 1 calc R . .
H28B H 1.1276 0.4605 0.3720 0.069 Uiso 1 1 calc R . .
H28C H 1.1045 0.3790 0.4032 0.069 Uiso 1 1 calc R . .
C29 C 1.1641(6) 0.0995(4) 0.8979(5) 0.062(2) Uani 1 1 d . . .
H29A H 1.2184 0.1364 0.8959 0.075 Uiso 1 1 calc R . .
H29B H 1.1065 0.1029 0.8414 0.075 Uiso 1 1 calc R . .
C30 C 1.0869(6) 0.1913(4) 0.9675(5) 0.065(2) Uani 1 1 d . . .
H30A H 1.0318 0.2009 0.9108 0.078 Uiso 1 1 calc R . .
H30B H 1.1448 0.2272 0.9728 0.078 Uiso 1 1 calc R . .
C31 C 1.0434(6) 0.2020(4) 1.0420(5) 0.0610(19) Uani 1 1 d . . .
H31A H 1.1000 0.1961 1.0986 0.073 Uiso 1 1 calc R . .
H31B H 1.0150 0.2533 1.0399 0.073 Uiso 1 1 calc R . .
C32 C 0.9098(6) 0.1598(4) 1.1018(4) 0.061(2) Uani 1 1 d . . .
H32A H 0.8780 0.2102 1.0953 0.073 Uiso 1 1 calc R . .
H32B H 0.9603 0.1558 1.1619 0.073 Uiso 1 1 calc R . .
C33 C 0.8279(5) 0.1031(4) 1.0904(5) 0.0599(19) Uani 1 1 d . . .
H33A H 0.7902 0.1118 1.1343 0.072 Uiso 1 1 calc R . .
H33B H 0.7768 0.1082 1.0307 0.072 Uiso 1 1 calc R . .
C34 C 0.7907(5) -0.0242(4) 1.0928(5) 0.064(2) Uani 1 1 d . . .
H34A H 0.7368 -0.0196 1.0344 0.076 Uiso 1 1 calc R . .
H34B H 0.7561 -0.0162 1.1390 0.076 Uiso 1 1 calc R . .
O4 O 0.8332(4) 0.0194(2) 0.8537(3) 0.0811(11) Uani 1 1 d DU B .
C35 C 0.8332(7) 0.0868(4) 0.8078(5) 0.0810(11) Uani 1 1 d DU . .
H35A H 0.9009 0.1124 0.8352 0.097 Uiso 1 1 calc R A 1
H35B H 0.7771 0.1193 0.8161 0.097 Uiso 1 1 calc R A 1
C36 C 0.8172(14) 0.0793(7) 0.7084(6) 0.0812(11) Uani 0.50 1 d PDU B 1
H36A H 0.7511 0.1025 0.6718 0.097 Uiso 0.50 1 calc PR B 1
H36B H 0.8773 0.0986 0.6909 0.097 Uiso 0.50 1 calc PR B 1
C37 C 0.8124(14) -0.0029(7) 0.7085(7) 0.0812(11) Uani 0.50 1 d PDU B 1
H37A H 0.8789 -0.0227 0.7024 0.097 Uiso 0.50 1 calc PR B 1
H37B H 0.7551 -0.0192 0.6560 0.097 Uiso 0.50 1 calc PR B 1
C36A C 0.8539(14) 0.0504(7) 0.7257(8) 0.0813(11) Uani 0.50 1 d PDU B 2
H36C H 0.7959 0.0641 0.6723 0.098 Uiso 0.50 1 calc PR B 2
H36D H 0.9194 0.0715 0.7189 0.098 Uiso 0.50 1 calc PR B 2
C37A C 0.8631(12) -0.0312(8) 0.7304(10) 0.0814(11) Uani 0.50 1 d PDU B 2
H37C H 0.9359 -0.0486 0.7579 0.098 Uiso 0.50 1 calc PR B 2
H37D H 0.8319 -0.0559 0.6725 0.098 Uiso 0.50 1 calc PR B 2
C38 C 0.7943(6) -0.0380(4) 0.7925(5) 0.0814(11) Uani 1 1 d DU . .
H38A H 0.7191 -0.0477 0.7839 0.098 Uiso 1 1 calc R B 1
H38B H 0.8345 -0.0849 0.8101 0.098 Uiso 1 1 calc R B 1
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'
O O 0.0106 0.0060 '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'
K K 0.2009 0.2494 '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
O4 K1 O4 180.000(1) 3_757 .
O4 K1 O3 88.01(14) 3_757 3_757
O4 K1 O3 91.99(14) . 3_757
O4 K1 O3 91.99(14) 3_757 .
O4 K1 O3 88.01(14) . .
O3 K1 O3 180.000(1) 3_757 .
O4 K1 O1 97.55(13) 3_757 3_757
O4 K1 O1 82.45(14) . 3_757
O3 K1 O1 118.06(13) 3_757 3_757
O3 K1 O1 61.94(13) . 3_757
O4 K1 O1 82.45(14) 3_757 .
O4 K1 O1 97.55(14) . .
O3 K1 O1 61.94(13) 3_757 .
O3 K1 O1 118.06(13) . .
O1 K1 O1 180.0 3_757 .
O4 K1 O2 84.78(13) 3_757 3_757
O4 K1 O2 95.22(13) . 3_757
O3 K1 O2 60.43(13) 3_757 3_757
O3 K1 O2 119.57(13) . 3_757
O1 K1 O2 58.83(12) 3_757 3_757
O1 K1 O2 121.17(12) . 3_757
O4 K1 O2 95.22(13) 3_757 .
O4 K1 O2 84.78(13) . .
O3 K1 O2 119.57(13) 3_757 .
O3 K1 O2 60.43(13) . .
O1 K1 O2 121.17(12) 3_757 .
O1 K1 O2 58.83(12) . .
O2 K1 O2 180.000(1) 3_757 .
C29 O1 C30 114.7(5) . .
C29 O1 K1 111.0(4) . .
C30 O1 K1 118.0(3) . .
C31 O2 C32 115.1(5) . .
C31 O2 K1 117.4(3) . .
C32 O2 K1 115.5(4) . .
C33 O3 C34 112.9(5) . .
C33 O3 K1 114.2(4) . .
C34 O3 K1 113.2(4) . .
C1 P1 C11 104.4(2) . .
C2 C1 C5 106.0(4) . .
C2 C1 P1 135.6(4) . .
C5 C1 P1 118.2(4) . .
C10 C2 C1 132.9(4) . .
C10 C2 C3 117.9(4) . .
C1 C2 C3 109.3(4) . .
C10 C3 C4 130.1(4) 3_765 .
C10 C3 C2 122.6(4) 3_765 .
C4 C3 C2 107.3(4) . .
C9 C4 C5 121.1(5) . .
C9 C4 C3 130.9(5) . .
C5 C4 C3 107.9(4) . .
C6 C5 C4 119.1(5) . .
C6 C5 C1 131.4(5) . .
C4 C5 C1 109.4(4) . .
C7 C6 C5 119.2(5) . .
C6 C7 C8 121.6(6) . .
C9 C8 C7 120.0(5) . .
C4 C9 C8 119.0(5) . .
C3 C10 C2 119.5(4) 3_765 .
C16 C11 C12 118.0(5) . .
C16 C11 P1 121.2(4) . .
C12 C11 P1 120.8(4) . .
C13 C12 C11 118.0(5) . .
C13 C12 C25 117.7(5) . .
C11 C12 C25 124.3(5) . .
C14 C13 C12 124.5(5) . .
C13 C14 C15 116.2(5) . .
C13 C14 C21 123.4(5) . .
C15 C14 C21 120.2(5) . .
C14 C15 C16 123.5(5) . .
C15 C16 C11 119.4(5) . .
C15 C16 C17 116.6(5) . .
C11 C16 C17 123.9(5) . .
C20 C17 C19 107.1(5) . .
C20 C17 C18 105.6(5) . .
C19 C17 C18 111.5(5) . .
C20 C17 C16 112.4(5) . .
C19 C17 C16 110.3(4) . .
C18 C17 C16 109.9(5) . .
C14 C21 C23 111.9(5) . .
C14 C21 C24 111.1(5) . .
C23 C21 C24 108.3(5) . .
C14 C21 C22 108.9(4) . .
C23 C21 C22 108.6(5) . .
C24 C21 C22 107.8(5) . .
C26 C25 C27 110.4(5) . .
C26 C25 C28 105.1(5) . .
C27 C25 C28 107.5(4) . .
C26 C25 C12 110.0(4) . .
C27 C25 C12 112.2(4) . .
C28 C25 C12 111.5(5) . .
O1 C29 C34 111.6(5) . 3_757
O1 C30 C31 109.7(5) . .
O2 C31 C30 110.8(6) . .
O2 C32 C33 110.3(6) . .
O3 C33 C32 112.3(6) . .
O3 C34 C29 111.1(5) . 3_757
C38 O4 C35 109.1(6) . .
C38 O4 K1 122.4(4) . .
C35 O4 K1 115.0(4) . .
O4 C35 C36 115.9(7) . .
O4 C35 C36A 96.1(7) . .
C36 C35 C36A 26.5(7) . .
C37 C36 C35 94.5(9) . .
C36 C37 C38 114.9(10) . .
C37A C36A C35 114.0(10) . .
C36A C37A C38 93.1(9) . .
O4 C38 C37A 102.5(7) . .
O4 C38 C37 100.2(7) . .
C37A C38 C37 31.1(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O4 2.711(5) 3_757
K1 O4 2.711(5) .
K1 O3 2.772(4) 3_757
K1 O3 2.772(4) .
K1 O1 2.818(4) 3_757
K1 O1 2.818(4) .
K1 O2 2.820(4) 3_757
K1 O2 2.820(4) .
O1 C29 1.414(7) .
O1 C30 1.417(7) .
O2 C31 1.409(7) .
O2 C32 1.421(7) .
O3 C33 1.393(7) .
O3 C34 1.408(7) .
P1 C1 1.741(5) .
P1 C11 1.854(5) .
C1 C2 1.429(6) .
C1 C5 1.473(7) .
C2 C10 1.408(7) .
C2 C3 1.450(6) .
C3 C10 1.380(6) 3_765
C3 C4 1.450(7) .
C4 C9 1.379(7) .
C4 C5 1.412(7) .
C5 C6 1.395(7) .
C6 C7 1.371(7) .
C7 C8 1.391(7) .
C8 C9 1.387(7) .
C10 C3 1.380(6) 3_765
C11 C16 1.412(7) .
C11 C12 1.453(7) .
C12 C13 1.387(7) .
C12 C25 1.558(7) .
C13 C14 1.381(7) .
C14 C15 1.388(7) .
C14 C21 1.521(7) .
C15 C16 1.393(7) .
C16 C17 1.575(7) .
C17 C20 1.522(7) .
C17 C19 1.539(8) .
C17 C18 1.554(8) .
C21 C23 1.521(8) .
C21 C24 1.532(7) .
C21 C22 1.536(7) .
C25 C26 1.530(7) .
C25 C27 1.538(7) .
C25 C28 1.543(8) .
C29 C34 1.466(9) 3_757
C30 C31 1.481(8) .
C32 C33 1.464(9) .
C34 C29 1.466(9) 3_757
O4 C38 1.402(7) .
O4 C35 1.408(7) .
C35 C36 1.533(8) .
C35 C36A 1.556(8) .
C36 C37 1.471(13) .
C37 C38 1.559(4) .
C36A C37A 1.465(13) .
C37A C38 1.545(4) .
