#------------------------------------------------------------------------------
#$Date: 2020-05-19 04:38:53 +0300 (Tue, 19 May 2020) $
#$Revision: 252160 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/05/7240551.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_7240551
loop_
_publ_author_name
'Suslonov, Vitalii V.'
'Eliseeva, Anastasiya A.'
'Novikov, Alexander S.'
'Ivanov, Daniil M.'
'Dubovtsev, Alexey Yu.'
'Bokach, Nadezhda A.'
'Kukushkin, Vadim Yu.'
_publ_section_title
;
 Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal
 Engineering Involving Halogen Bonding
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00576B
_journal_year                    2020
_chemical_formula_moiety         'Cl4 Pt, 2(C19 H17 I P)'
_chemical_formula_sum            'C38 H34 Cl4 I2 P2 Pt'
_chemical_formula_weight         1143.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2020-02-21
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-03-10 deposited with the CCDC.	2020-05-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.538(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.3265(6)
_cell_length_b                   13.0690(3)
_cell_length_c                   18.5735(6)
_cell_measurement_reflns_used    6914
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.0160
_cell_measurement_theta_min      2.9590
_cell_volume                     3870.3(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_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, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -22.00   13.00   1.0000   18.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2468  -99.0000 -150.0000 35

#__ type_ start__ end____ width___ exp.time_
  2 omega  -14.00   48.00   1.0000   18.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2468   57.0000  -90.0000 62

#__ type_ start__ end____ width___ exp.time_
  3 omega  -70.00  -25.00   1.0000   18.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2468  -57.0000   90.0000 45

#__ type_ start__ end____ width___ exp.time_
  4 omega  -41.00   36.00   1.0000   18.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.2468   19.0000 -150.0000 77
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0205631000
_diffrn_orient_matrix_UB_12      0.0479617000
_diffrn_orient_matrix_UB_13      -0.0129330000
_diffrn_orient_matrix_UB_21      -0.0285579000
_diffrn_orient_matrix_UB_22      -0.0148085000
_diffrn_orient_matrix_UB_23      0.0134856000
_diffrn_orient_matrix_UB_31      0.0272382000
_diffrn_orient_matrix_UB_32      0.0205877000
_diffrn_orient_matrix_UB_33      0.0397139000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16758
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         2.715
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.607
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.962
_exptl_crystal_description       prism
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.872
_refine_diff_density_min         -1.644
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.182
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         8873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.182
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0456
_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)+(0.0183P)²+23.7551P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0976
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7905
_reflns_number_total             8873
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00576b2.cif
_cod_data_source_block           Ph3PCH2I_PtCl4
_cod_original_cell_volume        3870.3(2)
_cod_database_code               7240551
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C22 I2 N2 O2 Pt'
_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_max   0.400
_shelx_estimated_absorpt_t_min   0.400
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.50
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1A(H1AA,H1AB), C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C4A(H4A), C3A(H3A), C13(H13), C12(H12), C18(H18), C10A(H10A), C5A(H5A),
 C11A(H11A), C11(H11), C7A(H7A), C10(H10), C6A(H6A), C9A(H9A), C13A(H13A),
 C19(H19), C4(H4), C9(H9), C3(H3), C7(H7), C19A(H19A), C17A(H17A), C16A(H16A),
 C15A(H15A), C18A(H18A), C15(H15), C12A(H12A), C17(H17), C6(H6), C5(H5),
 C16(H16)
;
_olex2_date_sample_data_collection 1561033871.16
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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
Pt1 Pt 0.24542(2) 0.41960(2) 0.00258(2) 0.01764(7) Uani 1 1 d . . . . .
I1 I 0.14452(3) 0.13041(3) 0.17002(3) 0.02310(11) Uani 1 1 d . . . . .
I1A I 0.39247(3) 0.48192(4) 0.34427(3) 0.03783(14) Uani 1 1 d . . . . .
Cl4 Cl 0.24734(10) 0.54874(12) 0.09002(10) 0.0216(3) Uani 1 1 d . . . . .
Cl3 Cl 0.26679(10) 0.54084(12) -0.07683(10) 0.0208(3) Uani 1 1 d . . . . .
Cl1 Cl 0.22881(11) 0.29890(12) 0.08451(10) 0.0232(3) Uani 1 1 d . . . . .
Cl2 Cl 0.23947(11) 0.28901(12) -0.08503(10) 0.0247(3) Uani 1 1 d . . . . .
P1A P 0.50193(11) 0.33835(13) 0.28805(10) 0.0181(3) Uani 1 1 d . . . . .
P1 P 0.01232(11) -0.00315(12) 0.20353(10) 0.0154(3) Uani 1 1 d . . . . .
C4A C 0.5343(5) 0.0645(5) 0.4005(4) 0.0252(15) Uani 1 1 d . . . . .
H4A H 0.5782 0.0158 0.4271 0.030 Uiso 1 1 calc R . . . .
C3A C 0.5475(4) 0.1526(5) 0.3680(4) 0.0208(14) Uani 1 1 d . . . . .
H3A H 0.6004 0.1651 0.3720 0.025 Uiso 1 1 calc R . . . .
C13 C -0.1065(4) -0.0498(5) 0.2503(4) 0.0200(13) Uani 1 1 d . . . . .
H13 H -0.1476 -0.0422 0.1936 0.024 Uiso 1 1 calc R . . . .
C12 C -0.1297(5) -0.0790(5) 0.3076(4) 0.0260(15) Uani 1 1 d . . . . .
H12 H -0.1872 -0.0916 0.2901 0.031 Uiso 1 1 calc R . . . .
C18 C -0.0076(5) -0.2837(5) 0.1028(4) 0.0245(15) Uani 1 1 d . . . . .
H18 H -0.0515 -0.3285 0.0671 0.029 Uiso 1 1 calc R . . . .
C10A C 0.6833(5) 0.4535(6) 0.5062(5) 0.0359(19) Uani 1 1 d . . . . .
H10A H 0.7092 0.4371 0.5634 0.043 Uiso 1 1 calc R . . . .
C5A C 0.4560(5) 0.0469(5) 0.3943(4) 0.0257(15) Uani 1 1 d . . . . .
H5A H 0.4478 -0.0130 0.4184 0.031 Uiso 1 1 calc R . . . .
C11A C 0.7052(5) 0.5423(7) 0.4819(7) 0.049(3) Uani 1 1 d . . . . .
H11A H 0.7436 0.5887 0.5221 0.059 Uiso 1 1 calc R . . . .
C11 C -0.0708(4) -0.0901(5) 0.3900(4) 0.0238(14) Uani 1 1 d . . . . .
H11 H -0.0877 -0.1107 0.4286 0.029 Uiso 1 1 calc R . . . .
C7A C 0.4040(4) 0.2047(5) 0.3214(4) 0.0202(13) Uani 1 1 d . . . . .
H7A H 0.3598 0.2528 0.2943 0.024 Uiso 1 1 calc R . . . .
C1A C 0.4111(5) 0.4218(5) 0.2478(4) 0.0274(15) Uani 1 1 d . . . . .
H1AA H 0.3606 0.3831 0.2085 0.033 Uiso 1 1 calc R . . . .
H1AB H 0.4187 0.4790 0.2172 0.033 Uiso 1 1 calc R . . . .
C8A C 0.5880(5) 0.4092(5) 0.3648(4) 0.0251(15) Uani 1 1 d . . . . .
C10 C 0.0137(4) -0.0713(5) 0.4168(4) 0.0226(14) Uani 1 1 d . . . . .
H10 H 0.0543 -0.0782 0.4737 0.027 Uiso 1 1 calc R . . . .
C6A C 0.3903(5) 0.1153(5) 0.3537(4) 0.0252(15) Uani 1 1 d . . . . .
H6A H 0.3368 0.1014 0.3481 0.030 Uiso 1 1 calc R . . . .
C9A C 0.6246(5) 0.3877(6) 0.4491(5) 0.0333(18) Uani 1 1 d . . . . .
H9A H 0.6090 0.3277 0.4671 0.040 Uiso 1 1 calc R . . . .
C2 C -0.0676(4) 0.0656(5) 0.1173(4) 0.0180(13) Uani 1 1 d . . . . .
C1 C 0.1022(4) 0.0782(5) 0.2530(4) 0.0199(13) Uani 1 1 d . . . . .
H1A H 0.1483 0.0404 0.2993 0.024 Uiso 1 1 calc R . . . .
H1B H 0.0884 0.1382 0.2765 0.024 Uiso 1 1 calc R . . . .
C13A C 0.6122(5) 0.4978(6) 0.3395(5) 0.0343(18) Uani 1 1 d . . . . .
H13A H 0.5884 0.5125 0.2822 0.041 Uiso 1 1 calc R . . . .
C19 C -0.0257(4) -0.1884(5) 0.1221(4) 0.0220(14) Uani 1 1 d . . . . .
H19 H -0.0825 -0.1677 0.1000 0.026 Uiso 1 1 calc R . . . .
C4 C -0.1407(5) 0.1088(6) -0.0272(4) 0.0295(16) Uani 1 1 d . . . . .
H4 H -0.1561 0.0931 -0.0828 0.035 Uiso 1 1 calc R . . . .
C2A C 0.4818(4) 0.2240(5) 0.3285(4) 0.0165(12) Uani 1 1 d . . . . .
C8 C -0.0220(4) -0.0317(4) 0.2768(4) 0.0162(12) Uani 1 1 d . . . . .
C9 C 0.0382(4) -0.0424(5) 0.3598(4) 0.0183(13) Uani 1 1 d . . . . .
H9 H 0.0957 -0.0300 0.3774 0.022 Uiso 1 1 calc R . . . .
C3 C -0.0870(4) 0.0433(5) 0.0363(4) 0.0215(14) Uani 1 1 d . . . . .
H3 H -0.0641 -0.0153 0.0246 0.026 Uiso 1 1 calc R . . . .
C7 C -0.0999(4) 0.1536(5) 0.1339(4) 0.0244(15) Uani 1 1 d . . . . .
H7 H -0.0859 0.1690 0.1892 0.029 Uiso 1 1 calc R . . . .
C19A C 0.6030(5) 0.3060(5) 0.2163(5) 0.0282(16) Uani 1 1 d . . . . .
H19A H 0.6499 0.3173 0.2697 0.034 Uiso 1 1 calc R . . . .
C17A C 0.5447(6) 0.2692(6) 0.0714(5) 0.038(2) Uani 1 1 d . . . . .
H17A H 0.5525 0.2571 0.0252 0.045 Uiso 1 1 calc R . . . .
C14A C 0.5214(5) 0.3076(5) 0.2044(4) 0.0238(15) Uani 1 1 d . . . . .
C16A C 0.4649(5) 0.2682(6) 0.0603(4) 0.0330(18) Uani 1 1 d . . . . .
H16A H 0.4186 0.2537 0.0073 0.040 Uiso 1 1 calc R . . . .
C15A C 0.4519(5) 0.2883(5) 0.1267(4) 0.0260(15) Uani 1 1 d . . . . .
H15A H 0.3968 0.2890 0.1194 0.031 Uiso 1 1 calc R . . . .
C18A C 0.6143(6) 0.2875(6) 0.1484(6) 0.042(2) Uani 1 1 d . . . . .
H18A H 0.6691 0.2875 0.1548 0.050 Uiso 1 1 calc R . . . .
C15 C 0.1220(4) -0.1541(5) 0.2089(4) 0.0189(13) Uani 1 1 d . . . . .
H15 H 0.1660 -0.1103 0.2458 0.023 Uiso 1 1 calc R . . . .
C14 C 0.0383(4) -0.1225(5) 0.1734(4) 0.0168(13) Uani 1 1 d . . . . .
C12A C 0.6703(5) 0.5637(6) 0.3972(7) 0.047(2) Uani 1 1 d . . . . .
H12A H 0.6866 0.6235 0.3797 0.057 Uiso 1 1 calc R . . . .
C17 C 0.0765(5) -0.3135(5) 0.1366(4) 0.0244(15) Uani 1 1 d . . . . .
H17 H 0.0896 -0.3784 0.1228 0.029 Uiso 1 1 calc R . . . .
C6 C -0.1515(5) 0.2180(5) 0.0710(5) 0.0290(16) Uani 1 1 d . . . . .
H6 H -0.1735 0.2777 0.0825 0.035 Uiso 1 1 calc R . . . .
C5 C -0.1714(5) 0.1952(6) -0.0101(5) 0.0306(16) Uani 1 1 d . . . . .
H5 H -0.2066 0.2401 -0.0538 0.037 Uiso 1 1 calc R . . . .
C16 C 0.1398(5) -0.2499(5) 0.1894(4) 0.0211(14) Uani 1 1 d . . . . .
H16 H 0.1965 -0.2717 0.2129 0.025 Uiso 1 1 calc R . . . .
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'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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
Cl3 Pt1 Cl4 89.95(6) . . ?
Cl1 Pt1 Cl4 89.84(6) . . ?
Cl1 Pt1 Cl3 178.14(6) . . ?
Cl1 Pt1 Cl2 89.07(6) . . ?
Cl2 Pt1 Cl4 178.17(6) . . ?
Cl2 Pt1 Cl3 91.19(6) . . ?
C8A P1A C1A 106.7(3) . . ?
C8A P1A C2A 112.5(3) . . ?
C8A P1A C14A 109.4(3) . . ?
C2A P1A C1A 109.7(3) . . ?
C2A P1A C14A 110.2(3) . . ?
C14A P1A C1A 108.1(3) . . ?
C2 P1 C8 110.1(3) . . ?
C2 P1 C14 112.4(3) . . ?
C1 P1 C2 107.6(3) . . ?
C1 P1 C8 108.2(3) . . ?
C1 P1 C14 110.9(3) . . ?
C8 P1 C14 107.5(3) . . ?
C3A C4A C5A 119.7(7) . . ?
C4A C3A C2A 119.5(6) . . ?
C12 C13 C8 119.0(6) . . ?
C11 C12 C13 121.0(6) . . ?
C19 C18 C17 119.0(6) . . ?
C11A C10A C9A 121.2(8) . . ?
C6A C5A C4A 121.4(6) . . ?
C10A C11A C12A 119.4(8) . . ?
C12 C11 C10 120.2(6) . . ?
C2A C7A C6A 120.5(6) . . ?
P1A C1A I1A 111.7(3) . . ?
C9A C8A P1A 122.7(5) . . ?
C9A C8A C13A 119.1(7) . . ?
C13A C8A P1A 117.7(6) . . ?
C9 C10 C11 119.6(6) . . ?
C5A C6A C7A 118.7(6) . . ?
C10A C9A C8A 119.9(7) . . ?
C3 C2 P1 121.4(5) . . ?
C3 C2 C7 120.0(6) . . ?
C7 C2 P1 117.7(5) . . ?
P1 C1 I1 112.8(3) . . ?
C12A C13A C8A 120.5(8) . . ?
C18 C19 C14 120.6(7) . . ?
C5 C4 C3 120.6(7) . . ?
C3A C2A P1A 118.1(5) . . ?
C7A C2A P1A 121.8(5) . . ?
C7A C2A C3A 120.1(6) . . ?
C13 C8 P1 120.7(5) . . ?
C9 C8 P1 118.5(5) . . ?
C9 C8 C13 120.7(6) . . ?
C10 C9 C8 119.5(6) . . ?
C4 C3 C2 118.8(6) . . ?
C6 C7 C2 120.5(6) . . ?
C18A C19A C14A 118.9(7) . . ?
C16A C17A C18A 121.7(7) . . ?
C19A C14A P1A 121.2(6) . . ?
C19A C14A C15A 121.3(6) . . ?
C15A C14A P1A 117.5(5) . . ?
C17A C16A C15A 120.0(7) . . ?
C16A C15A C14A 118.7(7) . . ?
C17A C18A C19A 119.3(7) . . ?
C16 C15 C14 119.2(6) . . ?
C19 C14 P1 119.2(5) . . ?
C19 C14 C15 120.0(6) . . ?
C15 C14 P1 120.3(5) . . ?
C13A C12A C11A 119.8(8) . . ?
C16 C17 C18 120.6(6) . . ?
C7 C6 C5 119.5(7) . . ?
C4 C5 C6 120.5(7) . . ?
C17 C16 C15 120.6(6) . . ?
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
Pt1 Cl4 2.3303(16) . ?
Pt1 Cl3 2.3257(15) . ?
Pt1 Cl1 2.3137(15) . ?
Pt1 Cl2 2.3233(16) . ?
I1 C1 2.149(6) . ?
I1A C1A 2.132(7) . ?
P1A C1A 1.814(7) . ?
P1A C8A 1.778(7) . ?
P1A C2A 1.791(6) . ?
P1A C14A 1.802(6) . ?
P1 C2 1.790(7) . ?
P1 C1 1.787(7) . ?
P1 C8 1.797(6) . ?
P1 C14 1.799(6) . ?
C4A C3A 1.376(9) . ?
C4A C5A 1.400(10) . ?
C3A C2A 1.410(9) . ?
C13 C12 1.381(9) . ?
C13 C8 1.395(9) . ?
C12 C11 1.378(10) . ?
C18 C19 1.382(9) . ?
C18 C17 1.402(10) . ?
C10A C11A 1.374(13) . ?
C10A C9A 1.377(10) . ?
C5A C6A 1.387(10) . ?
C11A C12A 1.404(14) . ?
C11 C10 1.396(9) . ?
C7A C6A 1.392(9) . ?
C7A C2A 1.388(9) . ?
C8A C9A 1.394(10) . ?
C8A C13A 1.401(10) . ?
C10 C9 1.391(8) . ?
C2 C3 1.395(9) . ?
C2 C7 1.396(9) . ?
C13A C12A 1.378(11) . ?
C19 C14 1.386(9) . ?
C4 C3 1.395(9) . ?
C4 C5 1.368(10) . ?
C8 C9 1.393(9) . ?
C7 C6 1.371(10) . ?
C19A C14A 1.399(10) . ?
C19A C18A 1.396(10) . ?
C17A C16A 1.372(11) . ?
C17A C18A 1.391(12) . ?
C14A C15A 1.399(10) . ?
C16A C15A 1.393(9) . ?
C15 C14 1.400(9) . ?
C15 C16 1.387(9) . ?
C17 C16 1.370(10) . ?
C6 C5 1.396(10) . ?
