#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:10:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179097 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/59/4305995.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_4305995
loop_
_publ_author_name
'Roberto Pattacini'
'Günter Margraf'
'Abdelatif Messaoudi'
'Nicola Oberbeckmann-Winter'
'Pierre Braunstein'
_publ_contact_author_address
;Laboratoire de Chimie de Coordination
CNRS-Université Louis Pasteur
Institut Le Bel - 4 rue Blaise Pascal
67070 Strasbourg Cedex - France
;
_publ_contact_author_email       braunst@chimie.u-strasbg.fr
_publ_contact_author_fax         +33(0)390241322
_publ_contact_author_name        'Dr. Pierre Braunstein'
_publ_contact_author_phone       +33(0)390241308
_publ_section_title
;
Formation of P-C Bonds under Unexpectedly Mild Conditions. Phosphoryl
Migration and Metal Coordination of Diphenylphosphinomethyl-oxazolines and
-thiazolines
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9886
_journal_page_last               9897
_journal_paper_doi               10.1021/ic800934h
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C17 H19 I N O P Pt'
_chemical_formula_sum            'C17 H19 I N O P Pt'
_chemical_formula_weight         606.29
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.310(2)
_cell_angle_beta                 94.819(2)
_cell_angle_gamma                105.997(2)
_cell_formula_units_Z            4
_cell_length_a                   11.7825(4)
_cell_length_b                   12.2252(5)
_cell_length_c                   12.8954(5)
_cell_measurement_reflns_used    6222
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.981
_cell_measurement_theta_min      0.998
_cell_volume                     1775.35(12)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21754
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         1.59
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    9.733
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.221
_refine_diff_density_min         -3.792
_refine_diff_density_rms         0.466
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         10312
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.0440
_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)+(0.0460P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                7858
_reflns_number_total             10312
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800934h_si_001_4.cif
_cod_data_source_block           Compound5
_cod_database_code               4305995
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1B Pt 0.20004(2) 0.067941(19) 0.536951(16) 0.02428(7) Uani 1 1 d . . .
P1B P 0.23322(13) -0.08261(13) 0.60597(11) 0.0232(3) Uani 1 1 d . . .
N1B N 0.0851(5) 0.0550(4) 0.6565(4) 0.0289(12) Uani 1 1 d . . .
I1B I 0.17894(4) 0.26986(4) 0.48749(3) 0.03448(11) Uani 1 1 d . . .
O1B O -0.0122(4) -0.0393(4) 0.7817(3) 0.0359(11) Uani 1 1 d . . .
C1B C 0.0170(6) 0.1293(6) 0.6944(5) 0.0423(17) Uani 1 1 d . . .
H1B1 H -0.0416 0.1378 0.6402 0.051 Uiso 1 1 calc R . .
H1B2 H 0.0688 0.2041 0.7181 0.051 Uiso 1 1 calc R . .
C2B C -0.0421(7) 0.0691(6) 0.7840(5) 0.0450(18) Uani 1 1 d . . .
H2B1 H -0.0115 0.1130 0.8497 0.054 Uiso 1 1 calc R . .
H2B2 H -0.1274 0.0567 0.7740 0.054 Uiso 1 1 calc R . .
C3B C 0.0619(5) -0.0351(5) 0.7078(4) 0.0284(13) Uani 1 1 d . . .
C4B C 0.1122(5) -0.1316(5) 0.6884(4) 0.0249(12) Uani 1 1 d . . .
H4B1 H 0.0517 -0.1962 0.6535 0.030 Uiso 1 1 calc R . .
H4B2 H 0.1419 -0.1549 0.7538 0.030 Uiso 1 1 calc R . .
C5B C 0.3070(6) 0.0650(6) 0.4151(5) 0.0434(18) Uani 1 1 d . . .
H5B1 H 0.3197 -0.0090 0.4072 0.065 Uiso 1 1 calc R . .
H5B2 H 0.3819 0.1215 0.4311 0.065 Uiso 1 1 calc R . .
H5B3 H 0.2682 0.0811 0.3515 0.065 Uiso 1 1 calc R . .
C6B C 0.2431(5) -0.2082(5) 0.5314(4) 0.0257(13) Uani 1 1 d . . .
C7B C 0.3478(6) -0.2041(5) 0.4893(5) 0.0362(16) Uani 1 1 d . . .
H7B H 0.4109 -0.1382 0.5004 0.043 Uiso 1 1 calc R . .
C8B C 0.3604(6) -0.2950(6) 0.4317(5) 0.0417(17) Uani 1 1 d . . .
H8B H 0.4309 -0.2896 0.4022 0.050 Uiso 1 1 calc R . .
C9B C 0.2700(6) -0.3947(6) 0.4168(5) 0.0368(16) Uani 1 1 d . . .
H9B H 0.2800 -0.4573 0.3791 0.044 Uiso 1 1 calc R . .
C10B C 0.1649(6) -0.4009(6) 0.4581(5) 0.0414(17) Uani 1 1 d . . .
H10B H 0.1029 -0.4678 0.4478 0.050 Uiso 1 1 calc R . .
C11B C 0.1509(6) -0.3078(5) 0.5151(5) 0.0357(15) Uani 1 1 d . . .
H11B H 0.0793 -0.3122 0.5425 0.043 Uiso 1 1 calc R . .
C12B C 0.3677(5) -0.0471(5) 0.6984(4) 0.0246(12) Uani 1 1 d . . .
C13B C 0.4455(5) 0.0617(5) 0.7035(5) 0.0300(14) Uani 1 1 d . . .
H13B H 0.4321 0.1140 0.6570 0.036 Uiso 1 1 calc R . .
C14B C 0.5430(6) 0.0930(6) 0.7775(5) 0.0382(16) Uani 1 1 d . . .
H14B H 0.5961 0.1654 0.7801 0.046 Uiso 1 1 calc R . .
C15B C 0.5598(6) 0.0158(6) 0.8463(5) 0.0423(17) Uani 1 1 d . . .
H15B H 0.6239 0.0365 0.8972 0.051 Uiso 1 1 calc R . .
C16B C 0.4823(7) -0.0935(6) 0.8414(5) 0.0479(19) Uani 1 1 d . . .
H16B H 0.4953 -0.1457 0.8883 0.057 Uiso 1 1 calc R . .
C17B C 0.3873(6) -0.1241(5) 0.7675(5) 0.0354(15) Uani 1 1 d . . .
H17B H 0.3356 -0.1973 0.7640 0.042 Uiso 1 1 calc R . .
Pt1A Pt 0.78298(2) 0.429756(18) 0.945868(16) 0.02374(7) Uani 1 1 d . . .
P1A P 0.75080(14) 0.58447(13) 0.88485(11) 0.0225(3) Uani 1 1 d . . .
N1A N 0.9272(4) 0.4676(4) 0.8519(4) 0.0268(11) Uani 1 1 d . . .
I1A I 0.83594(4) 0.24564(4) 1.01203(3) 0.03457(11) Uani 1 1 d . . .
O1A O 1.0286(4) 0.5731(4) 0.7335(3) 0.0331(10) Uani 1 1 d . . .
C1A C 1.0120(6) 0.4062(6) 0.8243(5) 0.0402(16) Uani 1 1 d . . .
H1A1 H 0.9716 0.3326 0.7887 0.048 Uiso 1 1 calc R . .
H1A2 H 1.0598 0.3950 0.8858 0.048 Uiso 1 1 calc R . .
C2A C 1.0874(6) 0.4837(6) 0.7527(5) 0.0454(18) Uani 1 1 d . . .
H2A1 H 1.1675 0.5162 0.7856 0.055 Uiso 1 1 calc R . .
H2A2 H 1.0909 0.4421 0.6879 0.055 Uiso 1 1 calc R . .
C3A C 0.9424(5) 0.5550(5) 0.7982(4) 0.0270(13) Uani 1 1 d . . .
C4A C 0.8745(5) 0.6394(5) 0.8034(4) 0.0277(13) Uani 1 1 d . . .
H4A1 H 0.8433 0.6508 0.7339 0.033 Uiso 1 1 calc R . .
H4A2 H 0.9254 0.7119 0.8341 0.033 Uiso 1 1 calc R . .
C5A C 0.6315(5) 0.3891(5) 1.0268(5) 0.0332(14) Uani 1 1 d . . .
H5A1 H 0.5866 0.4425 1.0130 0.050 Uiso 1 1 calc R . .
H5A2 H 0.6549 0.3928 1.1003 0.050 Uiso 1 1 calc R . .
H5A3 H 0.5836 0.3135 1.0043 0.050 Uiso 1 1 calc R . .
C6A C 0.7545(5) 0.7089(5) 0.9696(4) 0.0239(12) Uani 1 1 d . . .
C7A C 0.7969(6) 0.8189(5) 0.9393(5) 0.0379(17) Uani 1 1 d . . .
H7A H 0.8315 0.8308 0.8770 0.046 Uiso 1 1 calc R . .
C8A C 0.7885(6) 0.9116(5) 1.0004(5) 0.0407(17) Uani 1 1 d . . .
H8A H 0.8178 0.9849 0.9788 0.049 Uiso 1 1 calc R . .
C9A C 0.7376(6) 0.8966(6) 1.0920(5) 0.0378(16) Uani 1 1 d . . .
H9A H 0.7293 0.9586 1.1316 0.045 Uiso 1 1 calc R . .
C10A C 0.6988(7) 0.7876(6) 1.1247(5) 0.051(2) Uani 1 1 d . . .
H10A H 0.6665 0.7767 1.1881 0.062 Uiso 1 1 calc R . .
C11A C 0.7070(6) 0.6943(6) 1.0646(5) 0.0396(17) Uani 1 1 d . . .
H11A H 0.6805 0.6215 1.0880 0.047 Uiso 1 1 calc R . .
C12A C 0.6159(5) 0.5639(5) 0.7972(4) 0.0240(12) Uani 1 1 d . . .
C13A C 0.5884(6) 0.6551(6) 0.7491(5) 0.0439(18) Uani 1 1 d . . .
H13A H 0.6377 0.7288 0.7642 0.053 Uiso 1 1 calc R . .
C14A C 0.4894(7) 0.6364(6) 0.6799(6) 0.052(2) Uani 1 1 d . . .
H14A H 0.4714 0.6977 0.6487 0.062 Uiso 1 1 calc R . .
C15A C 0.4164(6) 0.5282(6) 0.6561(5) 0.0430(18) Uani 1 1 d . . .
H15A H 0.3498 0.5163 0.6083 0.052 Uiso 1 1 calc R . .
C16A C 0.4417(6) 0.4368(6) 0.7028(5) 0.0404(17) Uani 1 1 d . . .
H16A H 0.3921 0.3634 0.6868 0.048 Uiso 1 1 calc R . .
C17A C 0.5411(6) 0.4550(5) 0.7736(4) 0.0310(14) Uani 1 1 d . . .
H17A H 0.5578 0.3936 0.8056 0.037 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
Pt Pt -1.7033 8.3905 '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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C5B Pt1B N1B 174.8(2) . . ?
C5B Pt1B P1B 94.4(2) . . ?
N1B Pt1B P1B 82.16(15) . . ?
C5B Pt1B I1B 90.72(19) . . ?
N1B Pt1B I1B 93.30(15) . . ?
P1B Pt1B I1B 169.25(4) . . ?
C6B P1B C4B 106.3(3) . . ?
C6B P1B C12B 103.2(3) . . ?
C4B P1B C12B 103.9(3) . . ?
C6B P1B Pt1B 124.41(19) . . ?
C4B P1B Pt1B 104.5(2) . . ?
C12B P1B Pt1B 112.7(2) . . ?
C3B N1B C1B 108.0(5) . . ?
C3B N1B Pt1B 119.1(4) . . ?
C1B N1B Pt1B 132.9(4) . . ?
C3B O1B C2B 106.7(5) . . ?
N1B C1B C2B 104.3(6) . . ?
N1B C1B H1B1 110.9 . . ?
C2B C1B H1B1 110.9 . . ?
N1B C1B H1B2 110.9 . . ?
C2B C1B H1B2 110.9 . . ?
H1B1 C1B H1B2 108.9 . . ?
O1B C2B C1B 104.1(5) . . ?
O1B C2B H2B1 110.9 . . ?
C1B C2B H2B1 110.9 . . ?
O1B C2B H2B2 110.9 . . ?
C1B C2B H2B2 110.9 . . ?
H2B1 C2B H2B2 109.0 . . ?
N1B C3B O1B 116.6(6) . . ?
N1B C3B C4B 123.4(5) . . ?
O1B C3B C4B 120.0(5) . . ?
C3B C4B P1B 107.3(4) . . ?
C3B C4B H4B1 110.3 . . ?
P1B C4B H4B1 110.3 . . ?
C3B C4B H4B2 110.3 . . ?
P1B C4B H4B2 110.3 . . ?
H4B1 C4B H4B2 108.5 . . ?
Pt1B C5B H5B1 109.5 . . ?
Pt1B C5B H5B2 109.5 . . ?
H5B1 C5B H5B2 109.5 . . ?
Pt1B C5B H5B3 109.5 . . ?
H5B1 C5B H5B3 109.5 . . ?
H5B2 C5B H5B3 109.5 . . ?
C7B C6B C11B 118.6(6) . . ?
C7B C6B P1B 118.2(4) . . ?
C11B C6B P1B 123.2(5) . . ?
C8B C7B C6B 121.0(6) . . ?
C8B C7B H7B 119.5 . . ?
C6B C7B H7B 119.5 . . ?
C7B C8B C9B 120.7(6) . . ?
C7B C8B H8B 119.6 . . ?
C9B C8B H8B 119.6 . . ?
C8B C9B C10B 119.3(6) . . ?
C8B C9B H9B 120.3 . . ?
C10B C9B H9B 120.3 . . ?
C9B C10B C11B 120.2(6) . . ?
C9B C10B H10B 119.9 . . ?
C11B C10B H10B 119.9 . . ?
C10B C11B C6B 120.2(6) . . ?
C10B C11B H11B 119.9 . . ?
C6B C11B H11B 119.9 . . ?
C17B C12B C13B 119.7(6) . . ?
C17B C12B P1B 120.8(5) . . ?
C13B C12B P1B 119.4(5) . . ?
C14B C13B C12B 120.5(6) . . ?
C14B C13B H13B 119.8 . . ?
C12B C13B H13B 119.8 . . ?
C15B C14B C13B 118.8(6) . . ?
C15B C14B H14B 120.6 . . ?
C13B C14B H14B 120.6 . . ?
C14B C15B C16B 121.0(7) . . ?
C14B C15B H15B 119.5 . . ?
C16B C15B H15B 119.5 . . ?
C17B C16B C15B 119.8(7) . . ?
C17B C16B H16B 120.1 . . ?
C15B C16B H16B 120.1 . . ?
C16B C17B C12B 120.2(6) . . ?
C16B C17B H17B 119.9 . . ?
C12B C17B H17B 119.9 . . ?
C5A Pt1A N1A 175.2(2) . . ?
C5A Pt1A P1A 94.82(18) . . ?
N1A Pt1A P1A 83.50(15) . . ?
C5A Pt1A I1A 89.40(17) . . ?
N1A Pt1A I1A 92.28(14) . . ?
P1A Pt1A I1A 175.78(4) . . ?
C12A P1A C6A 103.7(3) . . ?
C12A P1A C4A 105.2(3) . . ?
C6A P1A C4A 103.3(3) . . ?
C12A P1A Pt1A 116.1(2) . . ?
C6A P1A Pt1A 122.31(19) . . ?
C4A P1A Pt1A 104.5(2) . . ?
C3A N1A C1A 108.0(5) . . ?
C3A N1A Pt1A 118.5(4) . . ?
C1A N1A Pt1A 133.2(4) . . ?
C3A O1A C2A 104.9(5) . . ?
N1A C1A C2A 103.6(6) . . ?
N1A C1A H1A1 111.0 . . ?
C2A C1A H1A1 111.0 . . ?
N1A C1A H1A2 111.0 . . ?
C2A C1A H1A2 111.0 . . ?
H1A1 C1A H1A2 109.0 . . ?
O1A C2A C1A 105.1(5) . . ?
O1A C2A H2A1 110.7 . . ?
C1A C2A H2A1 110.7 . . ?
O1A C2A H2A2 110.7 . . ?
C1A C2A H2A2 110.7 . . ?
H2A1 C2A H2A2 108.8 . . ?
N1A C3A O1A 117.8(6) . . ?
N1A C3A C4A 124.9(5) . . ?
O1A C3A C4A 117.3(5) . . ?
C3A C4A P1A 108.0(4) . . ?
C3A C4A H4A1 110.1 . . ?
P1A C4A H4A1 110.1 . . ?
C3A C4A H4A2 110.1 . . ?
P1A C4A H4A2 110.1 . . ?
H4A1 C4A H4A2 108.4 . . ?
Pt1A C5A H5A1 109.5 . . ?
Pt1A C5A H5A2 109.5 . . ?
H5A1 C5A H5A2 109.5 . . ?
Pt1A C5A H5A3 109.5 . . ?
H5A1 C5A H5A3 109.5 . . ?
H5A2 C5A H5A3 109.5 . . ?
C7A C6A C11A 118.2(5) . . ?
C7A C6A P1A 121.9(4) . . ?
C11A C6A P1A 119.8(5) . . ?
C6A C7A C8A 121.0(5) . . ?
C6A C7A H7A 119.5 . . ?
C8A C7A H7A 119.5 . . ?
C9A C8A C7A 120.7(6) . . ?
C9A C8A H8A 119.6 . . ?
C7A C8A H8A 119.6 . . ?
C8A C9A C10A 118.8(6) . . ?
C8A C9A H9A 120.6 . . ?
C10A C9A H9A 120.6 . . ?
C9A C10A C11A 121.1(6) . . ?
C9A C10A H10A 119.5 . . ?
C11A C10A H10A 119.5 . . ?
C10A C11A C6A 120.2(6) . . ?
C10A C11A H11A 119.9 . . ?
C6A C11A H11A 119.9 . . ?
C17A C12A C13A 118.8(6) . . ?
C17A C12A P1A 119.6(5) . . ?
C13A C12A P1A 121.5(5) . . ?
C14A C13A C12A 120.3(6) . . ?
C14A C13A H13A 119.8 . . ?
C12A C13A H13A 119.8 . . ?
C13A C14A C15A 120.6(7) . . ?
C13A C14A H14A 119.7 . . ?
C15A C14A H14A 119.7 . . ?
C14A C15A C16A 120.1(7) . . ?
C14A C15A H15A 119.9 . . ?
C16A C15A H15A 119.9 . . ?
C15A C16A C17A 119.7(6) . . ?
C15A C16A H16A 120.2 . . ?
C17A C16A H16A 120.2 . . ?
C16A C17A C12A 120.5(6) . . ?
C16A C17A H17A 119.7 . . ?
C12A C17A H17A 119.7 . . ?
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
Pt1A C5A 2.095(6) . ?
Pt1A N1A 2.128(5) . ?
Pt1A P1A 2.1921(16) . ?
Pt1A I1A 2.6501(5) . ?
P1A C12A 1.822(6) . ?
P1A C6A 1.826(6) . ?
P1A C4A 1.858(6) . ?
N1A C3A 1.276(7) . ?
N1A C1A 1.463(8) . ?
O1A C3A 1.346(7) . ?
O1A C2A 1.465(8) . ?
C1A C2A 1.511(9) . ?
C1A H1A1 0.9700 . ?
C1A H1A2 0.9700 . ?
C2A H2A1 0.9700 . ?
C2A H2A2 0.9700 . ?
C3A C4A 1.472(9) . ?
C4A H4A1 0.9700 . ?
C4A H4A2 0.9700 . ?
C5A H5A1 0.9600 . ?
C5A H5A2 0.9600 . ?
C5A H5A3 0.9600 . ?
C6A C7A 1.385(8) . ?
C6A C11A 1.387(7) . ?
C7A C8A 1.385(8) . ?
C7A H7A 0.9300 . ?
C8A C9A 1.365(8) . ?
C8A H8A 0.9300 . ?
C9A C10A 1.380(9) . ?
C9A H9A 0.9300 . ?
C10A C11A 1.383(9) . ?
C10A H10A 0.9300 . ?
C11A H11A 0.9300 . ?
C12A C17A 1.384(8) . ?
C12A C13A 1.398(9) . ?
C13A C14A 1.368(9) . ?
C13A H13A 0.9300 . ?
C14A C15A 1.371(10) . ?
C14A H14A 0.9300 . ?
C15A C16A 1.381(10) . ?
C15A H15A 0.9300 . ?
C16A C17A 1.384(9) . ?
C16A H16A 0.9300 . ?
C17A H17A 0.9300 . ?
Pt1B C5B 2.100(6) . ?
Pt1B N1B 2.119(5) . ?
Pt1B P1B 2.1915(16) . ?
Pt1B I1B 2.6459(5) . ?
P1B C6B 1.815(6) . ?
P1B C4B 1.833(5) . ?
P1B C12B 1.839(6) . ?
N1B C3B 1.284(8) . ?
N1B C1B 1.462(8) . ?
O1B C3B 1.339(7) . ?
O1B C2B 1.463(8) . ?
C1B C2B 1.510(8) . ?
C1B H1B1 0.9700 . ?
C1B H1B2 0.9700 . ?
C2B H2B1 0.9700 . ?
C2B H2B2 0.9700 . ?
C3B C4B 1.480(8) . ?
C4B H4B1 0.9700 . ?
C4B H4B2 0.9700 . ?
C5B H5B1 0.9600 . ?
C5B H5B2 0.9600 . ?
C5B H5B3 0.9600 . ?
C6B C7B 1.378(8) . ?
C6B C11B 1.386(8) . ?
C7B C8B 1.360(8) . ?
C7B H7B 0.9300 . ?
C8B C9B 1.374(9) . ?
C8B H8B 0.9300 . ?
C9B C10B 1.374(9) . ?
C9B H9B 0.9300 . ?
C10B C11B 1.385(9) . ?
C10B H10B 0.9300 . ?
C11B H11B 0.9300 . ?
C12B C17B 1.373(8) . ?
C12B C13B 1.388(8) . ?
C13B C14B 1.386(8) . ?
C13B H13B 0.9300 . ?
C14B C15B 1.363(9) . ?
C14B H14B 0.9300 . ?
C15B C16B 1.391(9) . ?
C15B H15B 0.9300 . ?
C16B C17B 1.365(9) . ?
C16B H16B 0.9300 . ?
C17B H17B 0.9300 . ?
