#------------------------------------------------------------------------------
#$Date: 2020-07-06 05:08:29 +0200 (lun 06 de jul de 2020) $
#$Revision: 253900 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/46/7704609.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_7704609
loop_
_publ_author_name
'Hao, Zhaoran'
'Zhang, Kai'
'Chen, Kuan'
'Wang, Pu'
'Lu, Zhiyun'
'Zhu, Weiguo'
'Liu, Yu'
_publ_section_title
;
 More efficient spin-orbit coupling: adjusting the ligand field strength
 to the second metal ion in asymmetric binuclear platinum(ii)
 configurations.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8722
_journal_page_last               8733
_journal_paper_doi               10.1039/d0dt00939c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C27 H28 F2 N2 O2 Pt'
_chemical_formula_sum            'C27 H28 F2 N2 O2 Pt'
_chemical_formula_weight         645.60
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-09-19
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-11-13 deposited with the CCDC.	2020-06-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.3840(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5300(2)
_cell_length_b                   11.9914(3)
_cell_length_c                   21.2884(5)
_cell_measurement_reflns_used    2578
_cell_measurement_temperature    172
_cell_measurement_theta_max      25.558
_cell_measurement_theta_min      2.297
_cell_volume                     2406.80(10)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      172.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0553
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            27280
_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         26.400
_diffrn_reflns_theta_min         2.748
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.873
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1693 before and 0.0698 after correction. The Ratio of minimum to maximum transmission is 0.8915. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.574
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4911
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0233
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+2.0222P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0443
_refine_ls_wR_factor_ref         0.0479
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4235
_reflns_number_total             4911
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00939c2.cif
_cod_data_source_block           0918chonfpt_0m
_cod_depositor_comments
'Adding full bibliography for 7704606--7704610.cif.'
_cod_database_code               7704609
_shelx_shelxl_version_number     2018/3
_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   0.564
_shelx_estimated_absorpt_t_min   0.358
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C27-C25 \\sim C30-C25 \\sim C26-C25 \\sim C29-C25 \\sim C31-C25 \\sim C28-C25
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C31)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: C26(0.6) H26A(0.6) H26B(0.6) H26C(0.6) C31(0.4) H31A(0.4)
 H31B(0.4) H31C(0.4) C28(0.6) H28A(0.6) H28B(0.6) H28C(0.6) C27(0.6) H27A(0.6)
 H27B(0.6) H27C(0.6) C29(0.4) H29A(0.4) H29B(0.4) H29C(0.4) C30(0.4) H30A(0.4)
 H30B(0.4) H30C(0.4)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C9(H9), C16(H16), C19(H19), C10(H10), C8(H8), C6(H6), C14(H14),
 C5(H5), C7(H7)
5.b Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C24(H24A,H24B,H24C), C23(H23A,H23B,H23C), C26(H26A,H26B,
 H26C), C31(H31A,H31B,H31C), C28(H28A,H28B,H28C), C27(H27A,H27B,H27C), C29(H29A,
 H29B,H29C), C30(H30A,H30B,H30C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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 0.53451(2) 0.64170(2) 0.60329(2) 0.02119(5) Uani 1 1 d . . . . .
O1 O 0.4302(2) 0.67768(19) 0.67558(10) 0.0254(5) Uani 1 1 d . . . . .
O2 O 0.6423(2) 0.5115(2) 0.65273(10) 0.0269(5) Uani 1 1 d . . . . .
F2 F 0.4732(3) 0.8704(2) 0.39268(10) 0.0539(7) Uani 1 1 d . . . . .
N1 N 0.6201(3) 0.6125(2) 0.52496(13) 0.0230(6) Uani 1 1 d . . . . .
F1 F 0.2196(3) 1.0094(2) 0.54727(11) 0.0592(7) Uani 1 1 d . . . . .
C17 C 0.4481(4) 0.7663(3) 0.55223(15) 0.0261(8) Uani 1 1 d . . . . .
C11 C 0.5817(4) 0.6847(3) 0.47527(16) 0.0253(8) Uani 1 1 d . . . . .
C2 C 0.7669(3) 0.5082(3) 0.46408(15) 0.0244(7) Uani 1 1 d . . . . .
C12 C 0.4865(4) 0.7723(3) 0.49075(16) 0.0264(8) Uani 1 1 d . . . . .
C1 C 0.7099(3) 0.5285(3) 0.51931(15) 0.0236(7) Uani 1 1 d . . . . .
H1 H 0.735735 0.480664 0.554684 0.028 Uiso 1 1 calc R . . . .
N2 N 0.9387(3) 0.4215(3) 0.40830(14) 0.0370(8) Uani 1 1 d . . . . .
C9 C 0.7263(4) 0.5792(3) 0.41299(16) 0.0314(8) Uani 1 1 d . . . . .
H9 H 0.762053 0.567707 0.374114 0.038 Uiso 1 1 calc R . . . .
C18 C 0.4339(3) 0.6184(3) 0.72628(16) 0.0234(7) Uani 1 1 d . . . . .
C25 C 0.7264(4) 0.3923(3) 0.73832(16) 0.0297(8) Uani 1 1 d D . . . .
C20 C 0.6243(3) 0.4821(3) 0.70863(16) 0.0252(8) Uani 1 1 d . . . . .
C13 C 0.4324(4) 0.8596(3) 0.45148(16) 0.0351(9) Uani 1 1 d . . . . .
C16 C 0.3584(4) 0.8479(3) 0.57137(17) 0.0325(8) Uani 1 1 d . . . . .
H16 H 0.332505 0.846237 0.612795 0.039 Uiso 1 1 calc R . . . .
C3 C 0.8686(3) 0.4160(3) 0.45901(16) 0.0280(8) Uani 1 1 d . . . . .
C19 C 0.5227(4) 0.5277(3) 0.74251(16) 0.0281(8) Uani 1 1 d . . . . .
H19 H 0.513359 0.492241 0.781576 0.034 Uiso 1 1 calc R . . . .
C10 C 0.6343(4) 0.6661(3) 0.41861(16) 0.0300(8) Uani 1 1 d . . . . .
H10 H 0.606517 0.713783 0.383355 0.036 Uiso 1 1 calc R . . . .
C15 C 0.3084(4) 0.9302(3) 0.52925(18) 0.0391(9) Uani 1 1 d . . . . .
C22 C 0.3307(4) 0.6548(3) 0.77070(16) 0.0259(8) Uani 1 1 d . . . . .
C8 C 0.8917(4) 0.3303(3) 0.50258(18) 0.0340(9) Uani 1 1 d . . . . .
H8 H 0.841641 0.328378 0.538034 0.041 Uiso 1 1 calc R . . . .
C6 C 1.0591(4) 0.2520(4) 0.44286(19) 0.0421(10) Uani 1 1 d . . . . .
H6 H 1.125269 0.195772 0.435768 0.051 Uiso 1 1 calc R . . . .
C14 C 0.3438(5) 0.9395(3) 0.46892(18) 0.0424(10) Uani 1 1 d . . . . .
H14 H 0.308410 0.998178 0.441071 0.051 Uiso 1 1 calc R . . . .
C5 C 1.0319(4) 0.3405(4) 0.4016(2) 0.0448(11) Uani 1 1 d . . . . .
H5 H 1.082395 0.344277 0.366320 0.054 Uiso 1 1 calc R . . . .
C7 C 0.9883(4) 0.2471(4) 0.49427(19) 0.0403(10) Uani 1 1 d . . . . .
H7 H 1.005122 0.187515 0.523843 0.048 Uiso 1 1 calc R . . . .
C21 C 0.2587(5) 0.7642(4) 0.7487(2) 0.0470(11) Uani 1 1 d . . . . .
H21A H 0.330196 0.823134 0.749821 0.071 Uiso 1 1 calc GR . . . .
H21B H 0.190033 0.784130 0.776937 0.071 Uiso 1 1 calc GR . . . .
H21C H 0.209394 0.755687 0.705256 0.071 Uiso 1 1 calc GR . . . .
C24 C 0.2177(4) 0.5649(4) 0.7709(2) 0.0535(12) Uani 1 1 d . . . . .
H24A H 0.172064 0.551116 0.727259 0.080 Uiso 1 1 calc GR . . . .
H24B H 0.146388 0.589829 0.796620 0.080 Uiso 1 1 calc GR . . . .
H24C H 0.261968 0.495969 0.788812 0.080 Uiso 1 1 calc GR . . . .
C23 C 0.4069(5) 0.6704(4) 0.83844(19) 0.0570(14) Uani 1 1 d . . . . .
H23A H 0.451592 0.600076 0.853828 0.085 Uiso 1 1 calc GR . . . .
H23B H 0.338184 0.693045 0.866074 0.085 Uiso 1 1 calc GR . . . .
H23C H 0.479688 0.728258 0.838837 0.085 Uiso 1 1 calc GR . . . .
C26 C 0.8748(6) 0.4405(6) 0.7438(4) 0.050(2) Uani 0.6 1 d D . P A 1
H26A H 0.898528 0.454593 0.701241 0.076 Uiso 0.6 1 calc GR . P A 1
H26B H 0.942795 0.387336 0.766029 0.076 Uiso 0.6 1 calc GR . P A 1
H26C H 0.878933 0.510559 0.767652 0.076 Uiso 0.6 1 calc GR . P A 1
C31 C 0.6480(10) 0.2941(8) 0.7629(5) 0.039(2) Uani 0.4 1 d D U P A 2
H31A H 0.591856 0.320527 0.795039 0.059 Uiso 0.4 1 calc GR . P A 2
H31B H 0.716873 0.238537 0.781923 0.059 Uiso 0.4 1 calc GR . P A 2
H31C H 0.584878 0.260094 0.727630 0.059 Uiso 0.4 1 calc GR . P A 2
C28 C 0.7096(8) 0.2890(6) 0.6986(4) 0.050(2) Uani 0.6 1 d D . P A 1
H28A H 0.614093 0.258533 0.698378 0.075 Uiso 0.6 1 calc GR . P A 1
H28B H 0.780082 0.233573 0.716236 0.075 Uiso 0.6 1 calc GR . P A 1
H28C H 0.723591 0.307099 0.655017 0.075 Uiso 0.6 1 calc GR . P A 1
C27 C 0.7027(8) 0.3627(7) 0.8074(3) 0.054(2) Uani 0.6 1 d D U P A 1
H27A H 0.703304 0.431288 0.832543 0.081 Uiso 0.6 1 calc GR . P A 1
H27B H 0.778865 0.313300 0.826785 0.081 Uiso 0.6 1 calc GR . P A 1
H27C H 0.611140 0.325076 0.806385 0.081 Uiso 0.6 1 calc GR . P A 1
C29 C 0.8094(12) 0.3400(10) 0.6867(5) 0.048(3) Uani 0.4 1 d D U P A 2
H29A H 0.741600 0.308837 0.652121 0.072 Uiso 0.4 1 calc GR . P A 2
H29B H 0.871950 0.280595 0.706076 0.072 Uiso 0.4 1 calc GR . P A 2
H29C H 0.866178 0.397853 0.669894 0.072 Uiso 0.4 1 calc GR . P A 2
C30 C 0.8314(13) 0.4454(11) 0.7889(6) 0.059(3) Uani 0.4 1 d D U P A 2
H30A H 0.882256 0.504837 0.770075 0.088 Uiso 0.4 1 calc GR . P A 2
H30B H 0.899281 0.389025 0.807775 0.088 Uiso 0.4 1 calc GR . P A 2
H30C H 0.781317 0.476867 0.821835 0.088 Uiso 0.4 1 calc GR . P A 2
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'
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'
O O 0.0106 0.0060 '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
O1 Pt1 O2 92.12(9) . . ?
N1 Pt1 O1 173.69(10) . . ?
N1 Pt1 O2 93.43(10) . . ?
C17 Pt1 O1 92.67(12) . . ?
C17 Pt1 O2 174.56(11) . . ?
C17 Pt1 N1 81.93(13) . . ?
C18 O1 Pt1 124.8(2) . . ?
C20 O2 Pt1 123.9(2) . . ?
C11 N1 Pt1 116.0(2) . . ?
C1 N1 Pt1 123.6(2) . . ?
C1 N1 C11 120.5(3) . . ?
C12 C17 Pt1 114.1(3) . . ?
C16 C17 Pt1 126.7(3) . . ?
C16 C17 C12 119.2(3) . . ?
N1 C11 C12 112.6(3) . . ?
N1 C11 C10 118.5(3) . . ?
C10 C11 C12 128.9(3) . . ?
C1 C2 C9 117.2(3) . . ?
C1 C2 C3 122.2(3) . . ?
C9 C2 C3 120.6(3) . . ?
C17 C12 C11 115.3(3) . . ?
C13 C12 C17 118.1(3) . . ?
C13 C12 C11 126.5(3) . . ?
N1 C1 C2 122.9(3) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C5 N2 C3 117.6(4) . . ?
C2 C9 H9 119.9 . . ?
C10 C9 C2 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
O1 C18 C19 125.5(3) . . ?
O1 C18 C22 114.8(3) . . ?
C19 C18 C22 119.6(3) . . ?
C20 C25 C31 111.8(4) . . ?
C20 C25 C27 112.3(4) . . ?
C20 C25 C29 110.3(5) . . ?
C26 C25 C20 107.1(4) . . ?
C26 C25 C27 106.0(5) . . ?
C31 C25 C29 104.6(7) . . ?
C28 C25 C20 109.9(4) . . ?
C28 C25 C26 112.4(5) . . ?
C28 C25 C27 109.1(5) . . ?
C30 C25 C20 108.5(5) . . ?
C30 C25 C31 112.9(7) . . ?
C30 C25 C29 108.6(8) . . ?
O2 C20 C25 114.6(3) . . ?
O2 C20 C19 124.7(3) . . ?
C19 C20 C25 120.6(3) . . ?
F2 C13 C12 119.4(3) . . ?
C14 C13 F2 116.9(3) . . ?
C14 C13 C12 123.7(3) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 C17 118.8(3) . . ?
C15 C16 H16 120.6 . . ?
N2 C3 C2 115.2(3) . . ?
N2 C3 C8 121.6(3) . . ?
C8 C3 C2 123.2(3) . . ?
C18 C19 C20 128.3(3) . . ?
C18 C19 H19 115.9 . . ?
C20 C19 H19 115.9 . . ?
C11 C10 H10 119.6 . . ?
C9 C10 C11 120.7(3) . . ?
C9 C10 H10 119.6 . . ?
F1 C15 C16 119.2(3) . . ?
F1 C15 C14 116.9(4) . . ?
C16 C15 C14 123.9(4) . . ?
C18 C22 C23 111.1(3) . . ?
C21 C22 C18 111.0(3) . . ?
C21 C22 C24 108.8(3) . . ?
C21 C22 C23 108.4(3) . . ?
C24 C22 C18 108.6(3) . . ?
C24 C22 C23 108.9(3) . . ?
C3 C8 H8 120.2 . . ?
C3 C8 C7 119.6(4) . . ?
C7 C8 H8 120.2 . . ?
C5 C6 H6 120.8 . . ?
C7 C6 H6 120.8 . . ?
C7 C6 C5 118.3(4) . . ?
C13 C14 C15 116.3(4) . . ?
C13 C14 H14 121.9 . . ?
C15 C14 H14 121.9 . . ?
N2 C5 C6 123.9(4) . . ?
N2 C5 H5 118.1 . . ?
C6 C5 H5 118.1 . . ?
C8 C7 H7 120.5 . . ?
C6 C7 C8 119.0(4) . . ?
C6 C7 H7 120.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C31 H31A 109.5 . . ?
C25 C31 H31B 109.5 . . ?
C25 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C29 H29A 109.5 . . ?
C25 C29 H29B 109.5 . . ?
C25 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
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 O1 1.997(2) . ?
Pt1 O2 2.070(2) . ?
Pt1 N1 1.991(3) . ?
Pt1 C17 1.957(3) . ?
O1 C18 1.289(4) . ?
O2 C20 1.276(4) . ?
F2 C13 1.370(4) . ?
N1 C11 1.375(4) . ?
N1 C1 1.339(4) . ?
F1 C15 1.364(4) . ?
C17 C12 1.411(5) . ?
C17 C16 1.398(5) . ?
C11 C12 1.456(5) . ?
C11 C10 1.390(5) . ?
C2 C1 1.387(4) . ?
C2 C9 1.391(5) . ?
C2 C3 1.484(5) . ?
C12 C13 1.391(5) . ?
C1 H1 0.9500 . ?
N2 C3 1.351(4) . ?
N2 C5 1.338(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.378(5) . ?
C18 C19 1.390(5) . ?
C18 C22 1.524(5) . ?
C25 C20 1.525(5) . ?
C25 C26 1.516(7) . ?
C25 C31 1.528(9) . ?
C25 C28 1.496(7) . ?
C25 C27 1.562(7) . ?
C25 C29 1.574(9) . ?
C25 C30 1.501(9) . ?
C20 C19 1.400(5) . ?
C13 C14 1.364(5) . ?
C16 H16 0.9500 . ?
C16 C15 1.372(5) . ?
C3 C8 1.380(5) . ?
C19 H19 0.9500 . ?
C10 H10 0.9500 . ?
C15 C14 1.379(5) . ?
C22 C21 1.522(5) . ?
C22 C24 1.524(5) . ?
C22 C23 1.528(5) . ?
C8 H8 0.9500 . ?
C8 C7 1.387(5) . ?
C6 H6 0.9500 . ?
C6 C5 1.378(6) . ?
C6 C7 1.368(6) . ?
C14 H14 0.9500 . ?
C5 H5 0.9500 . ?
C7 H7 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
