#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:39:36 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179758 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/54/7005403.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_7005403
loop_
_publ_author_name
'Suijkerbuijk, Bart M. J. M.'
'Aerts, Bas N. H.'
'Dijkstra, Harm P.'
'Lutz, Martin'
'Spek, Anthony L.'
'van Koten, Gerard'
'Klein Gebbink, Robertus J. M.'
_publ_section_title
;
 "Click" 1,2,3-triazoles as tunable ligands for late transition metal
 complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1273
_journal_page_last               1276
_journal_paper_doi               10.1039/b701978p
_journal_year                    2007
_chemical_formula_moiety         'C28 H34 N5 Pt, B F4'
_chemical_formula_sum            'C28 H34 B F4 N5 Pt'
_chemical_formula_weight         722.50
_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   difmap
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.459(2)
_cell_angle_beta                 112.708(2)
_cell_angle_gamma                99.581(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5401(5)
_cell_length_b                   10.8373(5)
_cell_length_c                   13.5859(5)
_cell_measurement_reflns_used    34132
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.63
_cell_volume                     1407.14(11)
_computing_cell_refinement       Peakref
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'EvalCCD, Sadabs'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_av_sigmaI/netI    0.0118
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            49444
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    5.039
_exptl_absorpt_correction_T_max  0.40
_exptl_absorpt_correction_T_min  0.27
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.354
_refine_diff_density_min         -0.472
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         6453
_refine_ls_number_restraints     142
_refine_ls_restrained_S_all      1.172
_refine_ls_R_factor_all          0.0132
_refine_ls_R_factor_gt           0.0117
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0131P)²+0.6281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0272
_refine_ls_wR_factor_ref         0.0276
_reflns_number_gt                6174
_reflns_number_total             6453
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b701978p.txt
_cod_data_source_block           s3680a
_cod_database_code               7005403
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
Pt1 Pt 0.704918(6) 0.427524(6) 0.394500(5) 0.01566(2) Uani 1 1 d . . .
N1 N 0.60436(14) 0.27750(13) 0.44864(12) 0.0202(3) Uani 1 1 d . . .
N2 N 0.81550(15) 0.60343(13) 0.38376(12) 0.0199(3) Uani 1 1 d . . .
N3 N 0.66131(15) 0.33122(14) 0.24375(11) 0.0209(3) Uani 1 1 d . . .
N4 N 0.72493(16) 0.23673(14) 0.24037(12) 0.0249(3) Uani 1 1 d . . .
N5 N 0.66874(15) 0.19019(14) 0.13832(12) 0.0243(3) Uani 1 1 d . . .
C1 C 0.74895(17) 0.50230(15) 0.53565(13) 0.0181(3) Uani 1 1 d . . .
C2 C 0.68380(18) 0.44090(16) 0.59809(14) 0.0209(3) Uani 1 1 d . . .
C3 C 0.7233(2) 0.48871(18) 0.70313(15) 0.0269(4) Uani 1 1 d . . .
H3 H 0.6827 0.4471 0.7481 0.032 Uiso 1 1 calc R . .
C4 C 0.8232(2) 0.59844(18) 0.74152(14) 0.0286(4) Uani 1 1 d . . .
H4 H 0.8479 0.6324 0.8125 0.034 Uiso 1 1 calc R . .
C5 C 0.88787(19) 0.65979(17) 0.67839(15) 0.0264(4) Uani 1 1 d . . .
H5 H 0.9560 0.7343 0.7061 0.032 Uiso 1 1 calc R . .
C6 C 0.85091(17) 0.61005(16) 0.57425(14) 0.0203(3) Uani 1 1 d . . .
C7 C 0.57205(18) 0.33003(17) 0.53876(14) 0.0237(4) Uani 1 1 d . . .
H7A H 0.4798 0.3562 0.5089 0.028 Uiso 1 1 calc R . .
H7B H 0.5684 0.2645 0.5885 0.028 Uiso 1 1 calc R . .
C8 C 0.7012(2) 0.18767(17) 0.49241(16) 0.0279(4) Uani 1 1 d . . .
H8A H 0.6547 0.1167 0.5178 0.042 Uiso 1 1 calc R . .
H8B H 0.7855 0.2302 0.5521 0.042 Uiso 1 1 calc R . .
H8C H 0.7274 0.1569 0.4361 0.042 Uiso 1 1 calc R . .
C9 C 0.47118(19) 0.20745(18) 0.36602(16) 0.0309(4) Uani 1 1 d . . .
H9A H 0.4911 0.1660 0.3106 0.046 Uiso 1 1 calc R . .
H9B H 0.4080 0.2661 0.3335 0.046 Uiso 1 1 calc R . .
H9C H 0.4268 0.1441 0.3996 0.046 Uiso 1 1 calc R . .
C10 C 0.91706(18) 0.65320(17) 0.49669(14) 0.0232(4) Uani 1 1 d . . .
H10A H 1.0055 0.6214 0.5146 0.028 Uiso 1 1 calc R . .
H10B H 0.9387 0.7461 0.5015 0.028 Uiso 1 1 calc R . .
C11 C 0.71514(19) 0.69137(17) 0.34335(15) 0.0256(4) Uani 1 1 d . . .
H11A H 0.7662 0.7746 0.3403 0.038 Uiso 1 1 calc R . .
H11B H 0.6669 0.6974 0.3916 0.038 Uiso 1 1 calc R . .
H11C H 0.6463 0.6599 0.2715 0.038 Uiso 1 1 calc R . .
C12 C 0.8938(2) 0.60293(18) 0.31325(16) 0.0284(4) Uani 1 1 d . . .
H12A H 0.8280 0.5744 0.2399 0.043 Uiso 1 1 calc R . .
H12B H 0.9609 0.5461 0.3389 0.043 Uiso 1 1 calc R . .
H12C H 0.9439 0.6880 0.3145 0.043 Uiso 1 1 calc R . .
C13 C 0.56959(19) 0.25219(17) 0.07719(14) 0.0240(4) Uani 1 1 d . . .
H13 H 0.5147 0.2361 0.0026 0.029 Uiso 1 1 calc R . .
C14 C 0.56436(17) 0.34328(16) 0.14493(13) 0.0206(3) Uani 1 1 d . . .
C15 C 0.47806(19) 0.44316(17) 0.12748(14) 0.0252(4) Uani 1 1 d . . .
H15A H 0.5239 0.5160 0.1021 0.030 Uiso 1 1 calc R . .
H15B H 0.4795 0.4709 0.1976 0.030 Uiso 1 1 calc R . .
C16 C 0.32653(18) 0.40935(17) 0.04938(14) 0.0229(4) Uani 1 1 d . . .
C17 C 0.2545(2) 0.28730(19) 0.01514(16) 0.0302(4) Uani 1 1 d . . .
H17 H 0.3015 0.2189 0.0390 0.036 Uiso 1 1 calc R . .
C18 C 0.1139(2) 0.2644(2) -0.05394(17) 0.0354(5) Uani 1 1 d . . .
H18 H 0.0660 0.1804 -0.0772 0.042 Uiso 1 1 calc R . .
C19 C 0.0435(2) 0.3626(2) -0.08895(16) 0.0356(5) Uani 1 1 d . . .
H19 H -0.0526 0.3465 -0.1359 0.043 Uiso 1 1 calc R . .
C20 C 0.1141(2) 0.4843(2) -0.05501(16) 0.0327(4) Uani 1 1 d . . .
H20 H 0.0665 0.5524 -0.0790 0.039 Uiso 1 1 calc R . .
C21 C 0.2536(2) 0.50763(18) 0.01366(14) 0.0263(4) Uani 1 1 d . . .
H21 H 0.3007 0.5918 0.0370 0.032 Uiso 1 1 calc R . .
C22 C 0.6991(2) 0.07164(19) 0.10518(17) 0.0326(4) Uani 1 1 d . . .
H22A H 0.6770 0.0688 0.0273 0.039 Uiso 1 1 calc R . .
H22B H 0.6369 0.0001 0.1179 0.039 Uiso 1 1 calc R . .
C23 C 0.84862(19) 0.05587(17) 0.16314(16) 0.0265(4) Uani 1 1 d . . .
C24 C 0.8900(2) 0.00752(18) 0.26234(18) 0.0353(5) Uani 1 1 d . . .
H24 H 0.8256 -0.0104 0.2959 0.042 Uiso 1 1 calc R . .
C25 C 1.0251(3) -0.0149(2) 0.3129(2) 0.0450(6) Uani 1 1 d . . .
H25 H 1.0530 -0.0472 0.3813 0.054 Uiso 1 1 calc R . .
C26 C 1.1191(2) 0.0094(2) 0.2648(2) 0.0453(6) Uani 1 1 d . . .
H26 H 1.2109 -0.0079 0.2992 0.054 Uiso 1 1 calc R . .
C27 C 1.0796(2) 0.0588(2) 0.1669(2) 0.0415(5) Uani 1 1 d . . .
H27 H 1.1446 0.0766 0.1339 0.050 Uiso 1 1 calc R . .
C28 C 0.9445(2) 0.08274(19) 0.11572(17) 0.0328(4) Uani 1 1 d . . .
H28 H 0.9179 0.1175 0.0483 0.039 Uiso 1 1 calc R . .
F1A F 0.5892(10) 0.0004(6) 0.8399(7) 0.042(2) Uani 0.515(11) 1 d PDU A 1
F2A F 0.4894(7) 0.1709(8) 0.8291(6) 0.0514(15) Uani 0.515(11) 1 d PDU A 1
F3A F 0.5145(13) 0.0917(5) 0.6855(4) 0.110(3) Uani 0.515(11) 1 d PDU A 1
F4A F 0.7019(5) 0.1892(5) 0.8280(11) 0.135(4) Uani 0.515(11) 1 d PDU A 1
F1B F 0.6026(11) 0.0096(7) 0.8434(8) 0.048(3) Uani 0.485(11) 1 d PDU A 2
F2B F 0.5345(8) 0.1971(8) 0.8451(6) 0.0521(16) Uani 0.485(11) 1 d PDU A 2
F3B F 0.4461(6) 0.0722(6) 0.6938(4) 0.0644(18) Uani 0.485(11) 1 d PDU A 2
F4B F 0.6694(6) 0.1663(7) 0.7563(6) 0.083(2) Uani 0.485(11) 1 d PDU A 2
B1 B 0.5692(2) 0.1134(2) 0.79015(18) 0.0326(5) Uani 1 1 d D . .
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'
B B 0.0013 0.0007 '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'
N N 0.0061 0.0033 '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
C1 Pt1 N1 82.24(6) . . ?
C1 Pt1 N2 80.95(6) . . ?
N1 Pt1 N2 163.14(6) . . ?
C1 Pt1 N3 175.38(6) . . ?
N1 Pt1 N3 94.61(6) . . ?
N2 Pt1 N3 102.24(6) . . ?
C8 N1 C9 108.41(14) . . ?
C8 N1 C7 108.64(14) . . ?
C9 N1 C7 108.25(14) . . ?
C8 N1 Pt1 108.96(11) . . ?
C9 N1 Pt1 114.94(11) . . ?
C7 N1 Pt1 107.49(10) . . ?
C12 N2 C11 108.21(14) . . ?
C12 N2 C10 109.39(14) . . ?
C11 N2 C10 107.73(13) . . ?
C12 N2 Pt1 115.06(11) . . ?
C11 N2 Pt1 108.85(10) . . ?
C10 N2 Pt1 107.38(10) . . ?
N4 N3 C14 110.40(14) . . ?
N4 N3 Pt1 119.58(11) . . ?
C14 N3 Pt1 129.72(11) . . ?
N3 N4 N5 105.59(14) . . ?
N4 N5 C13 111.75(14) . . ?
N4 N5 C22 121.56(15) . . ?
C13 N5 C22 125.92(15) . . ?
C6 C1 C2 122.34(16) . . ?
C6 C1 Pt1 119.17(12) . . ?
C2 C1 Pt1 118.34(13) . . ?
C3 C2 C1 118.72(17) . . ?
C3 C2 C7 127.82(16) . . ?
C1 C2 C7 113.42(15) . . ?
C2 C3 C4 119.19(17) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C3 C4 C5 121.79(17) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C6 C5 C4 118.94(17) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
C1 C6 C5 118.97(16) . . ?
C1 C6 C10 113.22(15) . . ?
C5 C6 C10 127.62(16) . . ?
C2 C7 N1 109.41(13) . . ?
C2 C7 H7A 109.8 . . ?
N1 C7 H7A 109.8 . . ?
C2 C7 H7B 109.8 . . ?
N1 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 N2 108.84(13) . . ?
C6 C10 H10A 109.9 . . ?
N2 C10 H10A 109.9 . . ?
C6 C10 H10B 109.9 . . ?
N2 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N5 C13 C14 105.46(15) . . ?
N5 C13 H13 127.3 . . ?
C14 C13 H13 127.3 . . ?
N3 C14 C13 106.79(15) . . ?
N3 C14 C15 120.86(15) . . ?
C13 C14 C15 132.35(16) . . ?
C14 C15 C16 117.10(15) . . ?
C14 C15 H15A 108.0 . . ?
C16 C15 H15A 108.0 . . ?
C14 C15 H15B 108.0 . . ?
C16 C15 H15B 108.0 . . ?
H15A C15 H15B 107.3 . . ?
C17 C16 C21 118.18(17) . . ?
C17 C16 C15 124.16(17) . . ?
C21 C16 C15 117.59(16) . . ?
C16 C17 C18 120.49(19) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C19 C18 C17 120.6(2) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C20 C19 C18 119.29(19) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C19 C20 C21 120.35(19) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C16 121.06(19) . . ?
C20 C21 H21 119.5 . . ?
C16 C21 H21 119.5 . . ?
N5 C22 C23 113.79(15) . . ?
N5 C22 H22A 108.8 . . ?
C23 C22 H22A 108.8 . . ?
N5 C22 H22B 108.8 . . ?
C23 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
C24 C23 C28 119.17(19) . . ?
C24 C23 C22 119.96(18) . . ?
C28 C23 C22 120.77(19) . . ?
C23 C24 C25 120.2(2) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 120.6(2) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C27 C26 C25 119.7(2) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C26 C27 C28 120.3(2) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C23 C28 C27 120.1(2) . . ?
C23 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
F2B B1 F4B 112.7(4) . . ?
F2B B1 F1B 113.2(5) . . ?
F4B B1 F1B 111.7(5) . . ?
F3A B1 F2A 113.6(4) . . ?
F3A B1 F4A 112.6(4) . . ?
F2A B1 F4A 106.6(3) . . ?
F3A B1 F1A 110.5(4) . . ?
F2A B1 F1A 107.9(4) . . ?
F4A B1 F1A 105.1(5) . . ?
F2B B1 F3B 106.0(4) . . ?
F4B B1 F3B 105.3(3) . . ?
F1B B1 F3B 107.3(4) . . ?
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 C1 1.9267(16) . ?
Pt1 N1 2.0870(14) . ?
Pt1 N2 2.1000(14) . ?
Pt1 N3 2.1388(14) . ?
N1 C8 1.488(2) . ?
N1 C9 1.491(2) . ?
N1 C7 1.521(2) . ?
N2 C12 1.486(2) . ?
N2 C11 1.491(2) . ?
N2 C10 1.522(2) . ?
N3 N4 1.324(2) . ?
N3 C14 1.361(2) . ?
N4 N5 1.335(2) . ?
N5 C13 1.344(2) . ?
N5 C22 1.482(2) . ?
C1 C6 1.390(2) . ?
C1 C2 1.393(2) . ?
C2 C3 1.391(2) . ?
C2 C7 1.504(2) . ?
C3 C4 1.394(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.397(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.392(2) . ?
C5 H5 0.9500 . ?
C6 C10 1.511(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.367(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.490(2) . ?
C15 C16 1.517(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.388(3) . ?
C16 C21 1.398(3) . ?
C17 C18 1.392(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.382(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.380(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.382(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.505(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.384(3) . ?
C23 C28 1.389(3) . ?
C24 C25 1.386(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.376(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.374(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.393(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
F1A B1 1.411(5) . ?
F2A B1 1.374(5) . ?
F3A B1 1.313(5) . ?
F4A B1 1.397(4) . ?
F1B B1 1.364(5) . ?
F2B B1 1.351(5) . ?
F3B B1 1.443(4) . ?
F4B B1 1.354(4) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Pt1 N1 C8 -94.58(12) . . . . ?
N2 Pt1 N1 C8 -99.1(2) . . . . ?
N3 Pt1 N1 C8 82.01(12) . . . . ?
C1 Pt1 N1 C9 143.55(13) . . . . ?
N2 Pt1 N1 C9 139.00(18) . . . . ?
N3 Pt1 N1 C9 -39.86(13) . . . . ?
C1 Pt1 N1 C7 22.97(11) . . . . ?
N2 Pt1 N1 C7 18.4(2) . . . . ?
N3 Pt1 N1 C7 -160.43(10) . . . . ?
C1 Pt1 N2 C12 148.86(13) . . . . ?
N1 Pt1 N2 C12 153.43(17) . . . . ?
N3 Pt1 N2 C12 -27.74(13) . . . . ?
C1 Pt1 N2 C11 -89.53(12) . . . . ?
N1 Pt1 N2 C11 -85.0(2) . . . . ?
N3 Pt1 N2 C11 93.87(11) . . . . ?
C1 Pt1 N2 C10 26.83(10) . . . . ?
N1 Pt1 N2 C10 31.4(2) . . . . ?
N3 Pt1 N2 C10 -149.77(10) . . . . ?
N1 Pt1 N3 N4 -69.79(13) . . . . ?
N2 Pt1 N3 N4 110.54(13) . . . . ?
N1 Pt1 N3 C14 103.33(15) . . . . ?
N2 Pt1 N3 C14 -76.33(15) . . . . ?
C14 N3 N4 N5 0.80(19) . . . . ?
Pt1 N3 N4 N5 175.17(11) . . . . ?
N3 N4 N5 C13 -0.8(2) . . . . ?
N3 N4 N5 C22 -171.34(16) . . . . ?
N1 Pt1 C1 C6 166.18(14) . . . . ?
N2 Pt1 C1 C6 -15.16(13) . . . . ?
N1 Pt1 C1 C2 -9.42(13) . . . . ?
N2 Pt1 C1 C2 169.25(14) . . . . ?
C6 C1 C2 C3 -0.6(2) . . . . ?
Pt1 C1 C2 C3 174.86(13) . . . . ?
C6 C1 C2 C7 177.24(15) . . . . ?
Pt1 C1 C2 C7 -7.31(19) . . . . ?
C1 C2 C3 C4 2.1(3) . . . . ?
C7 C2 C3 C4 -175.42(17) . . . . ?
C2 C3 C4 C5 -1.9(3) . . . . ?
C3 C4 C5 C6 0.3(3) . . . . ?
C2 C1 C6 C5 -1.1(2) . . . . ?
Pt1 C1 C6 C5 -176.48(13) . . . . ?
C2 C1 C6 C10 174.32(15) . . . . ?
Pt1 C1 C6 C10 -1.09(19) . . . . ?
C4 C5 C6 C1 1.2(2) . . . . ?
C4 C5 C6 C10 -173.44(17) . . . . ?
C3 C2 C7 N1 -155.78(17) . . . . ?
C1 C2 C7 N1 26.6(2) . . . . ?
C8 N1 C7 C2 85.72(16) . . . . ?
C9 N1 C7 C2 -156.75(14) . . . . ?
Pt1 N1 C7 C2 -32.04(15) . . . . ?
C1 C6 C10 N2 24.07(19) . . . . ?
C5 C6 C10 N2 -161.03(16) . . . . ?
C12 N2 C10 C6 -159.26(14) . . . . ?
C11 N2 C10 C6 83.34(16) . . . . ?
Pt1 N2 C10 C6 -33.76(15) . . . . ?
N4 N5 C13 C14 0.4(2) . . . . ?
C22 N5 C13 C14 170.51(17) . . . . ?
N4 N3 C14 C13 -0.5(2) . . . . ?
Pt1 N3 C14 C13 -174.17(12) . . . . ?
N4 N3 C14 C15 179.92(16) . . . . ?
Pt1 N3 C14 C15 6.3(2) . . . . ?
N5 C13 C14 N3 0.1(2) . . . . ?
N5 C13 C14 C15 179.52(18) . . . . ?
N3 C14 C15 C16 -142.37(17) . . . . ?
C13 C14 C15 C16 38.2(3) . . . . ?
C14 C15 C16 C17 17.2(3) . . . . ?
C14 C15 C16 C21 -165.77(16) . . . . ?
C21 C16 C17 C18 0.8(3) . . . . ?
C15 C16 C17 C18 177.76(18) . . . . ?
C16 C17 C18 C19 -0.5(3) . . . . ?
C17 C18 C19 C20 0.2(3) . . . . ?
C18 C19 C20 C21 -0.3(3) . . . . ?
C19 C20 C21 C16 0.6(3) . . . . ?
C17 C16 C21 C20 -0.8(3) . . . . ?
C15 C16 C21 C20 -178.04(17) . . . . ?
N4 N5 C22 C23 -38.7(3) . . . . ?
C13 N5 C22 C23 152.14(18) . . . . ?
N5 C22 C23 C24 84.2(2) . . . . ?
N5 C22 C23 C28 -99.4(2) . . . . ?
C28 C23 C24 C25 -0.7(3) . . . . ?
C22 C23 C24 C25 175.78(18) . . . . ?
C23 C24 C25 C26 -0.7(3) . . . . ?
C24 C25 C26 C27 1.4(3) . . . . ?
C25 C26 C27 C28 -0.8(3) . . . . ?
C24 C23 C28 C27 1.2(3) . . . . ?
C22 C23 C28 C27 -175.17(17) . . . . ?
C26 C27 C28 C23 -0.5(3) . . . . ?
