#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/43/7114373.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_7114373
loop_
_publ_author_name
'Fraser, Christopher S. A.'
'Eisler, Dana J.'
'Jennings, Michael C.'
'Puddephatt, Richard J.'
_publ_section_title
;
 Self-assembly of an organometallic side-by-side double helix
;
_journal_issue                   11
_journal_name_full               'Chemical Communications'
_journal_page_first              1224
_journal_paper_doi               10.1039/b203183c
_journal_year                    2002
_chemical_formula_sum            'C36.5 H47 Cl3 F6 N4 O3 P Pt'
_chemical_formula_weight         1036.19
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.5620(10)
_cell_angle_beta                 101.9230(10)
_cell_angle_gamma                93.4360(10)
_cell_formula_units_Z            2
_cell_length_a                   11.6287(2)
_cell_length_b                   11.7868(2)
_cell_length_c                   16.3564(3)
_cell_measurement_temperature    200(2)
_cell_volume                     2097.23(7)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_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      200(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'phi/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  0.042
_diffrn_reflns_av_sigmaI/netI    0.0830
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27262
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    3.641
_exptl_absorpt_correction_T_max  0.5296
_exptl_absorpt_correction_T_min  0.4288
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.298
_refine_diff_density_min         -1.090
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         12215
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0852
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0561P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1167
_reflns_number_gt                8700
_reflns_number_total             12215
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b203183c.txt
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        2097.23(6)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C36.50 H47 Cl3 F6 N4 O3 P Pt'
_cod_database_code               7114373
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.663073(16) 0.740833(17) 0.681624(11) 0.03285(7) Uani 1 1 d .
C1 C 0.7865(5) 0.6460(5) 0.6282(3) 0.0450(13) Uani 1 1 d .
H1A H 0.7791 0.6492 0.5681 0.068 Uiso 1 1 calc R
H1B H 0.7727 0.5632 0.6284 0.068 Uiso 1 1 calc R
H1C H 0.8663 0.6805 0.6628 0.068 Uiso 1 1 calc R
C2 C 0.5611(5) 0.5784(5) 0.6366(3) 0.0488(13) Uani 1 1 d .
H2A H 0.5177 0.5666 0.5762 0.073 Uiso 1 1 calc R
H2B H 0.5047 0.5756 0.6732 0.073 Uiso 1 1 calc R
H2C H 0.6122 0.5157 0.6388 0.073 Uiso 1 1 calc R
C3 C 0.6007(5) 0.7630(6) 0.5592(3) 0.0505(15) Uani 1 1 d .
H3A H 0.6587 0.8188 0.5482 0.061 Uiso 1 1 calc R
H3B H 0.5930 0.6858 0.5142 0.061 Uiso 1 1 calc R
C1A1 C 0.4835(5) 0.8095(6) 0.5512(3) 0.0521(15) Uani 1 1 d .
C1A2 C 0.3793(5) 0.7327(6) 0.5198(4) 0.0653(19) Uani 1 1 d .
H1AA H 0.3826 0.6495 0.5037 0.078 Uiso 1 1 calc R
C1A3 C 0.2701(6) 0.7752(7) 0.5114(4) 0.072(2) Uani 1 1 d .
H1AB H 0.1992 0.7215 0.4902 0.086 Uiso 1 1 calc R
C1A4 C 0.2653(6) 0.8962(6) 0.5342(4) 0.0613(17) Uani 1 1 d .
C1A5 C 0.3688(6) 0.9735(6) 0.5657(4) 0.0586(17) Uani 1 1 d .
H1AC H 0.3652 1.0566 0.5822 0.070 Uiso 1 1 calc R
C1A6 C 0.4779(5) 0.9311(6) 0.5735(4) 0.0563(16) Uani 1 1 d .
H1AD H 0.5487 0.9850 0.5940 0.068 Uiso 1 1 calc R
C4 C 0.1496(8) 0.9432(7) 0.5242(4) 0.076(2) Uani 1 1 d .
O1 O 0.1498(4) 1.0548(5) 0.5442(4) 0.0936(17) Uani 1 1 d .
H1O1 H 0.0798 1.0710 0.5397 0.140 Uiso 1 1 calc R
O2 O 0.0562(5) 0.8703(5) 0.4942(4) 0.0969(19) Uani 1 1 d .
N1N1 N 0.5466(3) 0.8515(4) 0.7451(2) 0.0311(8) Uani 1 1 d .
C1N2 C 0.4396(4) 0.8145(5) 0.7539(3) 0.0402(11) Uani 1 1 d .
H1NA H 0.4090 0.7331 0.7284 0.048 Uiso 1 1 calc R
C1N3 C 0.3725(5) 0.8896(5) 0.7982(3) 0.0415(12) Uani 1 1 d .
H1NB H 0.2976 0.8588 0.8029 0.050 Uiso 1 1 calc R
C1N4 C 0.4118(4) 1.0089(4) 0.8360(3) 0.0338(10) Uani 1 1 d .
C1N5 C 0.5260(4) 1.0472(4) 0.8284(3) 0.0328(10) Uani 1 1 d .
H1NC H 0.5596 1.1274 0.8553 0.039 Uiso 1 1 calc R
C1N6 C 0.5894(4) 0.9667(4) 0.7811(3) 0.0315(10) Uani 1 1 d .
C5 C 0.3394(5) 1.0924(5) 0.8853(4) 0.0422(12) Uani 1 1 d .
C6 C 0.2076(5) 1.0577(7) 0.8418(5) 0.080(2) Uani 1 1 d .
H6A H 0.1613 1.1121 0.8743 0.121 Uiso 1 1 calc R
H6B H 0.1837 0.9764 0.8415 0.121 Uiso 1 1 calc R
H6C H 0.1934 1.0623 0.7816 0.121 Uiso 1 1 calc R
C7 C 0.3726(6) 1.2202(5) 0.8857(4) 0.0606(18) Uani 1 1 d .
H7A H 0.3248 1.2727 0.9181 0.091 Uiso 1 1 calc R
H7B H 0.3576 1.2249 0.8256 0.091 Uiso 1 1 calc R
H7C H 0.4567 1.2448 0.9137 0.091 Uiso 1 1 calc R
C8 C 0.3617(7) 1.0847(6) 0.9796(4) 0.0665(19) Uani 1 1 d .
H8A H 0.3151 1.1387 1.0121 0.100 Uiso 1 1 calc R
H8B H 0.4460 1.1073 1.0076 0.100 Uiso 1 1 calc R
H8C H 0.3382 1.0033 0.9791 0.100 Uiso 1 1 calc R
N2N1 N 0.7534(3) 0.9182(4) 0.7172(2) 0.0320(9) Uani 1 1 d .
C2N2 C 0.8483(5) 0.9491(5) 0.6904(3) 0.0415(12) Uani 1 1 d .
H2NA H 0.8856 0.8880 0.6589 0.050 Uiso 1 1 calc R
C2N3 C 0.8947(4) 1.0647(5) 0.7058(3) 0.0387(12) Uani 1 1 d .
H2NB H 0.9618 1.0813 0.6844 0.046 Uiso 1 1 calc R
C2N4 C 0.8450(4) 1.1575(5) 0.7524(3) 0.0354(11) Uani 1 1 d .
C2N5 C 0.7462(4) 1.1239(4) 0.7809(3) 0.0335(10) Uani 1 1 d .
H2NC H 0.7094 1.1835 0.8143 0.040 Uiso 1 1 calc R
C2N6 C 0.7008(4) 1.0058(4) 0.7617(3) 0.0317(10) Uani 1 1 d .
C9 C 0.8928(4) 1.2860(5) 0.7743(3) 0.0404(12) Uani 1 1 d .
C10 C 0.9937(5) 1.3047(6) 0.7300(4) 0.0634(17) Uani 1 1 d .
H10A H 0.9640 1.2770 0.6665 0.095 Uiso 1 1 calc R
H10B H 1.0579 1.2599 0.7476 0.095 Uiso 1 1 calc R
H10C H 1.0234 1.3893 0.7477 0.095 Uiso 1 1 calc R
C11 C 0.7955(5) 1.3572(5) 0.7453(4) 0.0561(15) Uani 1 1 d .
H11A H 0.7668 1.3286 0.6818 0.084 Uiso 1 1 calc R
H11B H 0.8270 1.4413 0.7624 0.084 Uiso 1 1 calc R
H11C H 0.7299 1.3475 0.7731 0.084 Uiso 1 1 calc R
C12 C 0.9423(5) 1.3325(6) 0.8734(4) 0.0579(16) Uani 1 1 d .
H12A H 1.0057 1.2869 0.8910 0.087 Uiso 1 1 calc R
H12B H 0.8788 1.3239 0.9033 0.087 Uiso 1 1 calc R
H12C H 0.9738 1.4164 0.8890 0.087 Uiso 1 1 calc R
N3N1 N 0.7242(3) 0.6998(3) 0.8093(2) 0.0308(8) Uani 1 1 d .
C3N2 C 0.6378(4) 0.6441(4) 0.8337(3) 0.0360(10) Uani 1 1 d .
H3NA H 0.5583 0.6404 0.8029 0.043 Uiso 1 1 calc R
C3N3 C 0.6584(5) 0.5928(5) 0.9000(3) 0.0411(12) Uani 1 1 d .
H3NB H 0.5947 0.5553 0.9151 0.049 Uiso 1 1 calc R
C3N4 C 0.7735(5) 0.5966(5) 0.9447(3) 0.0408(12) Uani 1 1 d .
H3NC H 0.7914 0.5582 0.9891 0.049 Uiso 1 1 calc R
C3N5 C 0.8613(4) 0.6573(4) 0.9232(3) 0.0359(11) Uani 1 1 d .
H3ND H 0.9409 0.6635 0.9547 0.043 Uiso 1 1 calc R
C3N6 C 0.8366(4) 0.7093(4) 0.8572(3) 0.0304(10) Uani 1 1 d .
C13 C 0.9349(4) 0.7801(5) 0.8388(3) 0.0344(10) Uani 1 1 d .
H13A H 0.9875 0.7259 0.8122 0.041 Uiso 1 1 calc R
H13B H 0.9012 0.8230 0.7969 0.041 Uiso 1 1 calc R
N1 N 1.0032(3) 0.8649(4) 0.9190(2) 0.0354(9) Uani 1 1 d .
H1D H 1.0743 0.8516 0.9427 0.042 Uiso 1 1 calc R
C14 C 0.9597(4) 0.9628(4) 0.9574(3) 0.0349(10) Uani 1 1 d .
O3 O 0.8632(3) 0.9906(3) 0.9281(2) 0.0448(9) Uani 1 1 d .
P10 P 0.26742(13) 0.64075(14) 0.91096(11) 0.0482(4) Uani 1 1 d .
F10 F 0.1426(3) 0.6082(5) 0.9268(3) 0.1047(17) Uani 1 1 d .
F11 F 0.2127(6) 0.6296(6) 0.8147(3) 0.140(2) Uani 1 1 d .
F12 F 0.2836(7) 0.5077(4) 0.8913(4) 0.153(3) Uani 1 1 d .
F13 F 0.3184(4) 0.6546(5) 1.0118(3) 0.1069(16) Uani 1 1 d .
F14 F 0.2420(5) 0.7717(4) 0.9283(4) 0.127(2) Uani 1 1 d .
F15 F 0.3904(4) 0.6756(6) 0.8991(4) 0.142(3) Uani 1 1 d .
C100 C 0.3100(10) 1.3397(13) 0.6912(7) 0.194(8) Uani 1 1 d D
H10D H 0.2635 1.2656 0.6895 0.233 Uiso 1 1 calc R
H10E H 0.3114 1.3979 0.7478 0.233 Uiso 1 1 calc R
Cl10 Cl 0.2368(3) 1.3900(5) 0.6147(2) 0.195(2) Uani 1 1 d D
Cl11 Cl 0.4547(2) 1.3095(2) 0.69175(16) 0.1108(8) Uani 1 1 d D
C200 C 1.112(3) 0.6077(16) 0.6188(11) 0.216(17) Uani 0.50 1 d PD
H20A H 1.1964 0.5991 0.6206 0.259 Uiso 0.50 1 calc PR
H20B H 1.0860 0.5658 0.6581 0.259 Uiso 0.50 1 calc PR
Cl20 Cl 1.0301(8) 0.5475(8) 0.5158(7) 0.185(4) Uani 0.50 1 d PD
Cl21 Cl 1.0940(5) 0.7581(8) 0.6538(4) 0.155(3) Uani 0.50 1 d PD
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
C2 Pt1 C1 83.2(2) . .
C2 Pt1 C3 87.4(2) . .
C1 Pt1 C3 86.4(2) . .
C2 Pt1 N2N1 172.67(17) . .
C1 Pt1 N2N1 99.92(19) . .
C3 Pt1 N2N1 86.2(2) . .
C2 Pt1 N1N1 101.40(19) . .
C1 Pt1 N1N1 174.94(19) . .
C3 Pt1 N1N1 95.83(17) . .
N2N1 Pt1 N1N1 75.75(14) . .
C2 Pt1 N3N1 87.67(19) . .
C1 Pt1 N3N1 91.87(17) . .
C3 Pt1 N3N1 174.9(2) . .
N2N1 Pt1 N3N1 98.79(14) . .
N1N1 Pt1 N3N1 86.27(13) . .
C1A1 C3 Pt1 112.0(3) . .
C1A2 C1A1 C1A6 119.1(5) . .
C1A2 C1A1 C3 120.7(6) . .
C1A6 C1A1 C3 120.2(6) . .
C1A1 C1A2 C1A3 121.1(7) . .
C1A4 C1A3 C1A2 119.5(7) . .
C1A5 C1A4 C1A3 119.8(6) . .
C1A5 C1A4 C4 119.9(7) . .
C1A3 C1A4 C4 120.3(7) . .
C1A4 C1A5 C1A6 120.7(6) . .
C1A5 C1A6 C1A1 119.8(6) . .
O2 C4 O1 123.5(7) . .
O2 C4 C1A4 118.5(7) . .
O1 C4 C1A4 117.9(8) . .
C1N2 N1N1 C1N6 118.5(4) . .
C1N2 N1N1 Pt1 126.0(3) . .
C1N6 N1N1 Pt1 115.5(3) . .
N1N1 C1N2 C1N3 122.6(5) . .
C1N2 C1N3 C1N4 121.4(5) . .
C1N3 C1N4 C1N5 115.9(4) . .
C1N3 C1N4 C5 122.0(4) . .
C1N5 C1N4 C5 122.1(5) . .
C1N6 C1N5 C1N4 120.1(5) . .
N1N1 C1N6 C1N5 121.6(4) . .
N1N1 C1N6 C2N6 116.5(4) . .
C1N5 C1N6 C2N6 121.8(4) . .
C1N4 C5 C6 110.0(5) . .
C1N4 C5 C7 110.9(4) . .
C6 C5 C7 107.9(5) . .
C1N4 C5 C8 108.9(4) . .
C6 C5 C8 109.4(5) . .
C7 C5 C8 109.7(5) . .
C2N2 N2N1 C2N6 117.9(4) . .
C2N2 N2N1 Pt1 125.2(3) . .
C2N6 N2N1 Pt1 116.5(3) . .
N2N1 C2N2 C2N3 123.3(4) . .
C2N2 C2N3 C2N4 120.9(4) . .
C2N3 C2N4 C2N5 115.2(5) . .
C2N3 C2N4 C9 124.0(4) . .
C2N5 C2N4 C9 120.7(4) . .
C2N6 C2N5 C2N4 121.7(4) . .
N2N1 C2N6 C2N5 120.9(4) . .
N2N1 C2N6 C1N6 115.2(4) . .
C2N5 C2N6 C1N6 123.7(4) . .
C2N4 C9 C11 110.4(4) . .
C2N4 C9 C10 112.5(4) . .
C11 C9 C10 107.6(4) . .
C2N4 C9 C12 108.2(4) . .
C11 C9 C12 110.3(5) . .
C10 C9 C12 107.8(5) . .
C3N2 N3N1 C3N6 117.1(4) . .
C3N2 N3N1 Pt1 113.8(3) . .
C3N6 N3N1 Pt1 128.4(3) . .
N3N1 C3N2 C3N3 123.7(4) . .
C3N2 C3N3 C3N4 118.7(5) . .
C3N5 C3N4 C3N3 118.1(4) . .
C3N6 C3N5 C3N4 121.2(5) . .
N3N1 C3N6 C3N5 121.0(4) . .
N3N1 C3N6 C13 119.7(4) . .
C3N5 C3N6 C13 119.3(4) . .
N1 C13 C3N6 110.5(4) . .
C14 N1 C13 121.2(4) . .
O3 C14 N1 124.1(5) . .
O3 C14 C14 122.0(6) . 2_777
N1 C14 C14 113.9(5) . 2_777
F15 P10 F11 90.6(3) . .
F15 P10 F12 93.1(4) . .
F11 P10 F12 92.9(4) . .
F15 P10 F14 90.4(3) . .
F11 P10 F14 85.2(4) . .
F12 P10 F14 176.1(4) . .
F15 P10 F10 177.8(4) . .
F11 P10 F10 91.2(3) . .
F12 P10 F10 88.0(3) . .
F14 P10 F10 88.6(3) . .
F15 P10 F13 91.7(3) . .
F11 P10 F13 177.2(3) . .
F12 P10 F13 88.6(3) . .
F14 P10 F13 93.2(3) . .
F10 P10 F13 86.5(2) . .
Cl10 C100 Cl11 120.0(5) . .
Cl20 C200 Cl21 109.4(12) . .
Cl20 Cl20 C200 129.1(18) 2_766 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C2 2.055(6) .
Pt1 C1 2.064(5) .
Pt1 C3 2.076(4) .
Pt1 N2N1 2.154(4) .
Pt1 N1N1 2.164(4) .
Pt1 N3N1 2.252(4) .
C3 C1A1 1.493(7) .
C1A1 C1A2 1.383(9) .
C1A1 C1A6 1.389(8) .
C1A2 C1A3 1.387(8) .
C1A3 C1A4 1.383(9) .
C1A4 C1A5 1.380(9) .
C1A4 C4 1.480(9) .
C1A5 C1A6 1.386(7) .
C4 O2 1.265(10) .
C4 O1 1.266(9) .
N1N1 C1N2 1.342(6) .
N1N1 C1N6 1.345(6) .
C1N2 C1N3 1.375(7) .
C1N3 C1N4 1.382(7) .
C1N4 C1N5 1.417(6) .
C1N4 C5 1.511(6) .
C1N5 C1N6 1.402(6) .
C1N6 C2N6 1.472(6) .
C5 C6 1.529(8) .
C5 C7 1.531(8) .
C5 C8 1.538(8) .
N2N1 C2N2 1.335(6) .
N2N1 C2N6 1.352(6) .
C2N2 C2N3 1.371(7) .
C2N3 C2N4 1.386(7) .
C2N4 C2N5 1.400(6) .
C2N4 C9 1.502(7) .
C2N5 C2N6 1.387(7) .
C9 C11 1.522(7) .
C9 C10 1.534(7) .
C9 C12 1.536(7) .
N3N1 C3N2 1.351(6) .
N3N1 C3N6 1.358(6) .
C3N2 C3N3 1.364(7) .
C3N3 C3N4 1.378(7) .
C3N4 C3N5 1.368(7) .
C3N5 C3N6 1.368(6) .
C3N6 C13 1.502(6) .
C13 N1 1.456(6) .
N1 C14 1.339(6) .
C14 O3 1.227(5) .
C14 C14 1.515(10) 2_777
P10 F15 1.530(4) .
P10 F11 1.538(5) .
P10 F12 1.545(5) .
P10 F14 1.550(5) .
P10 F10 1.569(4) .
P10 F13 1.594(5) .
C100 Cl10 1.630(8) .
C100 Cl11 1.739(8) .
C200 Cl20 1.692(14) .
C200 Cl21 1.749(15) .
Cl20 Cl20 1.206(16) 2_766
