#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:08:20 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224192 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/94/7049441.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_7049441
loop_
_publ_author_name
'Nefedov, Sergey E.'
'Birin, Kirill P.'
'Bessmertnykh-Lemeune, Alla'
'Enakieva, Yulia Y.'
'Sinelshchikova, Anna A.'
'Gorbunova, Yulia G.'
'Tsivadze, Aslan Y.'
'Stern, Christine'
'Fang, Yuanyuan'
'Kadish, Karl M.'
_publ_section_title
;
 Coordination self-assembly through weak interactions in
 meso-dialkoxyphosphoryl-substituted zinc porphyrinates.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5372
_journal_page_last               5383
_journal_paper_doi               10.1039/c9dt00706g
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C36 H29 N4 O3 P Zn'
_chemical_formula_weight         661.97
_chemical_properties_physical    Air-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-23 deposited with the CCDC.    2019-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.961(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.2709(17)
_cell_length_b                   10.9305(16)
_cell_length_c                   13.289(2)
_cell_measurement_reflns_used    4537
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.19
_cell_measurement_theta_min      2.48
_cell_volume                     1538.8(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0738
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18125
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.997
_diffrn_reflns_theta_min         2.476
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_T_max  0.725
_exptl_absorpt_correction_T_min  0.658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       prizm
_exptl_crystal_F_000             684
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.837
_refine_diff_density_min         -0.380
_refine_diff_density_rms         0.074
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.988(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         8851
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0493
_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)+(0.0491P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1043
_refine_ls_wR_factor_ref         0.1110
_reflns_Friedel_coverage         0.909
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                7021
_reflns_number_total             8851
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00706g2.cif
_cod_data_source_block           mZnH
_cod_depositor_comments
'Adding full bibliography for 7049441--7049445.cif.'
_cod_database_code               7049441
_shelx_shelxl_version_number     2014/7
_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   0.814
_shelx_estimated_absorpt_t_max   0.841
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, 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_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
Zn1 Zn 0.74494(4) 0.20152(6) 0.35127(3) 0.02880(12) Uani 1 1 d . . . . .
P1 P 0.97909(10) 0.00282(10) 0.35408(8) 0.0281(2) Uani 1 1 d . . . . .
N1 N 0.6905(3) 0.1928(4) 0.1857(3) 0.0370(8) Uani 1 1 d . . . . .
N2 N 0.5998(3) 0.0828(4) 0.3438(3) 0.0400(9) Uani 1 1 d . . . . .
N3 N 0.7635(3) 0.2408(3) 0.5076(3) 0.0297(8) Uani 1 1 d . . . . .
N4 N 0.8503(3) 0.3544(3) 0.3504(3) 0.0281(7) Uani 1 1 d . . . . .
O1 O 0.8893(3) 0.0738(3) 0.3888(2) 0.0376(7) Uani 1 1 d . . . . .
O2 O 0.9104(3) -0.0785(3) 0.2536(2) 0.0367(7) Uani 1 1 d . . . . .
O3 O 1.0624(3) 0.0812(3) 0.3055(2) 0.0371(7) Uani 1 1 d . . . . .
C1 C 0.7458(5) 0.2554(5) 0.1230(4) 0.0421(11) Uani 1 1 d . . . . .
C2 C 0.6953(5) 0.2069(8) 0.0147(4) 0.0581(13) Uani 1 1 d . . . . .
H2A H 0.7177 0.2324 -0.0448 0.070 Uiso 1 1 calc R U . . .
C3 C 0.6121(6) 0.1203(6) 0.0141(4) 0.0619(16) Uani 1 1 d . . . . .
H3A H 0.5640 0.0729 -0.0459 0.074 Uiso 1 1 calc R U . . .
C4 C 0.6084(4) 0.1117(5) 0.1204(4) 0.0457(12) Uani 1 1 d . . . . .
C5 C 0.5349(4) 0.0312(5) 0.1534(4) 0.0508(14) Uani 1 1 d . . . . .
H5A H 0.4817 -0.0211 0.0998 0.061 Uiso 1 1 calc R U . . .
C6 C 0.5294(4) 0.0173(6) 0.2558(5) 0.0484(13) Uani 1 1 d . . . . .
C7 C 0.4512(6) -0.0680(6) 0.2866(6) 0.0666(18) Uani 1 1 d . . . . .
H7A H 0.3930 -0.1238 0.2406 0.080 Uiso 1 1 calc R U . . .
C8 C 0.4748(5) -0.0551(6) 0.3908(5) 0.0581(15) Uani 1 1 d . . . . .
H8A H 0.4367 -0.0998 0.4331 0.070 Uiso 1 1 calc R U . . .
C9 C 0.5695(4) 0.0399(4) 0.4284(4) 0.0426(11) Uani 1 1 d . . . . .
C10 C 0.6216(4) 0.0812(4) 0.5339(4) 0.0406(11) Uani 1 1 d . . . . .
C11 C 0.5751(6) 0.0240(5) 0.6149(5) 0.0550(15) Uani 1 1 d . . . . .
C12 C 0.6089(14) -0.0807(11) 0.6554(12) 0.0637(15) Uani 0.5 1 d . . P A 1
H12A H 0.6673 -0.1278 0.6344 0.076 Uiso 0.5 1 calc R U P A 1
C13 C 0.5580(14) -0.1282(12) 0.7336(12) 0.0637(15) Uani 0.5 1 d . . P A 1
H13A H 0.5897 -0.2020 0.7708 0.076 Uiso 0.5 1 calc R U P A 1
C14 C 0.4657(16) -0.0666(14) 0.7528(14) 0.0637(15) Uani 0.5 1 d . . P A 1
H14A H 0.4289 -0.0996 0.8014 0.076 Uiso 0.5 1 calc R U P A 1
C15 C 0.4239(14) 0.0399(13) 0.7055(12) 0.0637(15) Uani 0.5 1 d . . P A 1
H15A H 0.3586 0.0821 0.7212 0.076 Uiso 0.5 1 calc R U P A 1
C16 C 0.475(2) 0.0896(14) 0.6339(19) 0.0637(15) Uani 0.5 1 d . . P A 1
H16A H 0.4439 0.1645 0.5983 0.076 Uiso 0.5 1 calc R U P A 1
C12A C 0.6709(14) -0.0626(11) 0.6993(11) 0.0637(15) Uani 0.5 1 d . . P A 2
H12B H 0.7535 -0.0733 0.6968 0.076 Uiso 0.5 1 calc R U P A 2
C13A C 0.6374(14) -0.1228(11) 0.7766(11) 0.0637(15) Uani 0.5 1 d . . P A 2
H13B H 0.6934 -0.1766 0.8267 0.076 Uiso 0.5 1 calc R U P A 2
C14A C 0.5168(16) -0.0997(12) 0.7764(13) 0.0637(15) Uani 0.5 1 d . . P A 2
H14B H 0.4870 -0.1494 0.8213 0.076 Uiso 0.5 1 calc R U P A 2
C15A C 0.4416(16) -0.0177(14) 0.7213(13) 0.0637(15) Uani 0.5 1 d . . P A 2
H15B H 0.3669 0.0034 0.7351 0.076 Uiso 0.5 1 calc R U P A 2
C16A C 0.4737(14) 0.0409(17) 0.6386(15) 0.071(6) Uani 0.5 1 d . . P A 2
H16C H 0.4147 0.0987 0.5961 0.085 Uiso 0.5 1 calc R U P A 2
C17 C 0.7117(4) 0.1741(4) 0.5708(4) 0.0338(10) Uani 1 1 d . . . . .
C18 C 0.7626(4) 0.2141(5) 0.6788(3) 0.0341(10) Uani 1 1 d . . . . .
H18A H 0.7429 0.1819 0.7376 0.041 Uiso 1 1 calc R U . . .
C19 C 0.8445(4) 0.3065(4) 0.6827(3) 0.0332(9) Uani 1 1 d . . . . .
H19A H 0.8919 0.3519 0.7442 0.040 Uiso 1 1 calc R U . . .
C20 C 0.8455(4) 0.3224(3) 0.5742(3) 0.0261(8) Uani 1 1 d . . . . .
C21 C 1.0811(4) -0.0909(4) 0.4584(3) 0.0264(8) Uani 1 1 d . . . . .
C22 C 0.9152(4) 0.4265(4) 0.4355(3) 0.0282(8) Uani 1 1 d . . . . .
C23 C 0.9801(4) 0.5217(4) 0.3980(3) 0.0362(10) Uani 1 1 d . . . . .
H23A H 1.0308 0.5852 0.4402 0.043 Uiso 1 1 calc R U . . .
C24 C 0.9551(5) 0.5033(5) 0.2926(3) 0.0392(10) Uani 1 1 d . . . . .
H24A H 0.9852 0.5512 0.2467 0.047 Uiso 1 1 calc R U . . .
C25 C 0.8756(4) 0.3991(4) 0.2627(3) 0.0337(9) Uani 1 1 d . . . . .
C26 C 0.8321(4) 0.3512(4) 0.1589(3) 0.0371(10) Uani 1 1 d . . . . .
C27 C 0.8858(6) 0.4077(5) 0.0816(4) 0.0505(13) Uani 1 1 d . . . . .
C28 C 0.8328(15) 0.4808(14) -0.0023(10) 0.0606(12) Uani 0.5 1 d . . P B 1
H28A H 0.7460 0.5004 -0.0196 0.073 Uiso 0.5 1 calc R U P B 1
C29 C 0.8978(14) 0.5312(14) -0.0674(9) 0.0606(12) Uani 0.5 1 d . . P B 1
H29A H 0.8540 0.5771 -0.1297 0.073 Uiso 0.5 1 calc R U P B 1
C30 C 1.0235(14) 0.5120(16) -0.0381(10) 0.0606(12) Uani 0.5 1 d . . P B 1
H30A H 1.0667 0.5471 -0.0811 0.073 Uiso 0.5 1 calc R U P B 1
C31 C 1.0900(14) 0.4479(15) 0.0460(9) 0.0606(12) Uani 0.5 1 d . . P B 1
H31A H 1.1786 0.4397 0.0625 0.073 Uiso 0.5 1 calc R U P B 1
C32 C 1.0330(13) 0.3932(14) 0.1095(9) 0.0606(12) Uani 0.5 1 d . . P B 1
H32A H 1.0813 0.3468 0.1700 0.073 Uiso 0.5 1 calc R U P B 1
C28A C 0.8040(14) 0.5000(13) 0.0151(10) 0.0606(12) Uani 0.5 1 d D . P B 2
H28B H 0.7227 0.5164 0.0185 0.073 Uiso 0.5 1 calc R U P B 2
C29A C 0.8527(11) 0.5664(13) -0.0569(9) 0.0606(12) Uani 0.5 1 d D . P B 2
H29B H 0.8044 0.6061 -0.1215 0.073 Uiso 0.5 1 d R U P B 2
C30A C 0.9740(11) 0.5302(15) -0.0626(10) 0.0606(12) Uani 0.5 1 d D . P B 2
H30B H 1.0045 0.5640 -0.1150 0.073 Uiso 0.5 1 calc R U P B 2
C31A C 1.0413(13) 0.4483(15) 0.0080(10) 0.0606(12) Uani 0.5 1 d . . P B 2
H31B H 1.1280 0.4366 0.0178 0.073 Uiso 0.5 1 calc R U P B 2
C32A C 0.9836(14) 0.3782(15) 0.0689(9) 0.0606(12) Uani 0.5 1 d . . P B 2
H32B H 1.0236 0.3047 0.1013 0.073 Uiso 0.5 1 calc R U P B 2
C33 C 0.8133(5) -0.1631(5) 0.2568(4) 0.0485(12) Uani 1 1 d . . . . .
H33A H 0.7499 -0.1202 0.2802 0.058 Uiso 1 1 calc R U . . .
H33B H 0.8509 -0.2296 0.3084 0.058 Uiso 1 1 calc R U . . .
C34 C 0.7519(6) -0.2151(7) 0.1474(5) 0.076(2) Uani 1 1 d . . . . .
H34A H 0.6876 -0.2746 0.1489 0.115 Uiso 1 1 calc R U . . .
H34B H 0.8157 -0.2557 0.1242 0.115 Uiso 1 1 calc R U . . .
H34C H 0.7122 -0.1491 0.0973 0.115 Uiso 1 1 calc R U . . .
C35 C 1.1839(6) 0.1353(5) 0.3714(5) 0.0566(14) Uani 1 1 d . . . . .
H35A H 1.2383 0.0704 0.4158 0.068 Uiso 1 1 calc R U . . .
H35B H 1.2270 0.1686 0.3236 0.068 Uiso 1 1 calc R U . . .
C36 C 1.1690(6) 0.2332(6) 0.4413(5) 0.0683(18) Uani 1 1 d . . . . .
H36A H 1.2511 0.2710 0.4784 0.103 Uiso 1 1 calc R U . . .
H36B H 1.1351 0.1990 0.4941 0.103 Uiso 1 1 calc R U . . .
H36C H 1.1106 0.2951 0.3983 0.103 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'
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'
Zn Zn 0.2839 1.4301 '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
N4 Zn1 N3 88.61(13) . .
N4 Zn1 N2 164.21(14) . .
N3 Zn1 N2 89.17(14) . .
N4 Zn1 O1 98.16(14) . .
N3 Zn1 O1 95.57(13) . .
N2 Zn1 O1 97.61(15) . .
N4 Zn1 N1 89.67(16) . .
N3 Zn1 N1 165.92(14) . .
N2 Zn1 N1 88.69(16) . .
O1 Zn1 N1 98.51(13) . .
O1 P1 O3 114.56(19) . .
O1 P1 O2 111.91(18) . .
O3 P1 O2 98.62(17) . .
O1 P1 C21 112.86(18) . .
O3 P1 C21 108.41(18) . .
O2 P1 C21 109.52(18) . .
C4 N1 C1 106.7(4) . .
C4 N1 Zn1 126.7(4) . .
C1 N1 Zn1 125.9(3) . .
C9 N2 C6 106.8(4) . .
C9 N2 Zn1 126.4(3) . .
C6 N2 Zn1 126.0(4) . .
C20 N3 C17 106.4(3) . .
C20 N3 Zn1 127.0(3) . .
C17 N3 Zn1 125.7(3) . .
C22 N4 C25 106.7(3) . .
C22 N4 Zn1 127.7(3) . .
C25 N4 Zn1 125.4(3) . .
P1 O1 Zn1 148.1(2) . .
C33 O2 P1 119.7(3) . .
C35 O3 P1 122.8(3) . .
N1 C1 C26 124.8(4) . .
N1 C1 C2 108.1(5) . .
C26 C1 C2 127.1(5) . .
C3 C2 C1 107.6(5) . .
C2 C3 C4 107.4(5) . .
N1 C4 C5 124.4(5) . .
N1 C4 C3 110.2(5) . .
C5 C4 C3 125.4(5) . .
C4 C5 C6 127.8(5) . .
N2 C6 C5 124.8(5) . .
N2 C6 C7 109.2(5) . .
C5 C6 C7 126.0(5) . .
C8 C7 C6 107.8(5) . .
C7 C8 C9 107.3(5) . .
N2 C9 C10 125.3(4) . .
N2 C9 C8 108.9(5) . .
C10 C9 C8 125.8(5) . .
C9 C10 C17 126.3(4) . .
C9 C10 C11 117.3(4) . .
C17 C10 C11 116.4(4) . .
C12 C11 C16 121.2(10) . .
C12 C11 C10 123.9(8) . .
C16A C11 C10 132.3(10) . .
C16 C11 C10 114.4(9) . .
C16A C11 C12A 111.0(11) . .
C10 C11 C12A 116.2(6) . .
C11 C12 C13 119.7(12) . .
C14 C13 C12 118.8(13) . .
C15 C14 C13 121.7(14) . .
C14 C15 C16 120.5(15) . .
C15 C16 C11 117.6(16) . .
C13A C12A C11 121.4(11) . .
C12A C13A C14A 115.6(14) . .
C15A C14A C13A 126.1(14) . .
C14A C15A C16A 117.7(15) . .
C11 C16A C15A 126.9(18) . .
N3 C17 C10 125.1(4) . .
N3 C17 C18 110.1(4) . .
C10 C17 C18 124.8(4) . .
C19 C18 C17 107.6(4) . .
C18 C19 C20 106.6(4) . .
N3 C20 C21 124.9(3) . 2_756
N3 C20 C19 109.3(3) . .
C21 C20 C19 125.8(4) 2_756 .
C22 C21 C20 125.0(4) 2_746 2_746
C22 C21 P1 119.3(3) 2_746 .
C20 C21 P1 115.7(3) 2_746 .
N4 C22 C21 125.1(4) . 2_756
N4 C22 C23 108.6(3) . .
C21 C22 C23 126.3(4) 2_756 .
C24 C23 C22 107.3(4) . .
C23 C24 C25 107.4(4) . .
N4 C25 C26 126.6(4) . .
N4 C25 C24 109.9(4) . .
C26 C25 C24 123.5(4) . .
C1 C26 C25 125.9(4) . .
C1 C26 C27 118.3(4) . .
C25 C26 C27 115.9(4) . .
C32A C27 C28A 121.3(8) . .
C32A C27 C26 125.9(8) . .
C28 C27 C26 130.7(8) . .
C28A C27 C26 112.7(6) . .
C28 C27 C32 112.9(9) . .
C26 C27 C32 115.9(6) . .
C27 C28 C29 124.3(12) . .
C30 C29 C28 118.1(12) . .
C31 C30 C29 124.4(13) . .
C30 C31 C32 120.5(14) . .
C31 C32 C27 119.4(10) . .
C27 C28A C29A 116.5(10) . .
C30A C29A C28A 118.3(11) . .
C31A C30A C29A 117.9(12) . .
C30A C31A C32A 120.1(12) . .
C27 C32A C31A 123.3(13) . .
O2 C33 C34 108.6(5) . .
C36 C35 O3 112.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N4 2.052(4) .
Zn1 N3 2.060(3) .
Zn1 N2 2.064(4) .
Zn1 O1 2.071(3) .
Zn1 N1 2.074(3) .
P1 O1 1.469(3) .
P1 O3 1.564(3) .
P1 O2 1.570(3) .
P1 C21 1.790(4) .
N1 C4 1.359(6) .
N1 C1 1.382(6) .
N2 C9 1.365(6) .
N2 C6 1.370(6) .
N3 C20 1.370(5) .
N3 C17 1.383(5) .
N4 C22 1.367(5) .
N4 C25 1.380(5) .
O2 C33 1.444(6) .
O3 C35 1.475(7) .
C1 C26 1.397(7) .
C1 C2 1.455(7) .
C2 C3 1.331(9) .
C3 C4 1.430(8) .
C4 C5 1.379(8) .
C5 C6 1.391(8) .
C6 C7 1.435(8) .
C7 C8 1.325(9) .
C8 C9 1.450(7) .
C9 C10 1.397(7) .
C10 C17 1.401(6) .
C10 C11 1.487(7) .
C11 C12 1.267(15) .
C11 C16A 1.298(16) .
C11 C16 1.43(2) .
C11 C12A 1.579(17) .
C12 C13 1.444(17) .
C13 C14 1.33(2) .
C14 C15 1.331(19) .
C15 C16 1.38(2) .
C12A C13A 1.377(16) .
C13A C14A 1.38(2) .
C14A C15A 1.28(2) .
C15A C16A 1.42(2) .
C17 C18 1.420(6) .
C18 C19 1.357(7) .
C19 C20 1.456(6) .
C20 C21 1.419(5) 2_756
C21 C22 1.410(5) 2_746
C21 C20 1.419(5) 2_746
C22 C21 1.410(5) 2_756
C22 C23 1.454(6) .
C23 C24 1.347(6) .
C24 C25 1.419(7) .
C25 C26 1.399(6) .
C26 C27 1.492(7) .
C27 C32A 1.214(15) .
C27 C28 1.335(15) .
C27 C28A 1.447(15) .
C27 C32 1.580(15) .
C28 C29 1.421(17) .
C29 C30 1.352(19) .
C30 C31 1.315(17) .
C31 C32 1.361(17) .
C28A C29A 1.4495(14) .
C29A C30A 1.4493(14) .
C30A C31A 1.331(19) .
C31A C32A 1.423(19) .
C33 C34 1.493(7) .
C35 C36 1.465(8) .
