# Electronic Supplementary Material (ESI) for Faraday Discussions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jl304_sq_sq
_database_code_depnum_ccdc_archive 'CCDC 1912292'
loop_
_audit_author_name
_audit_author_address
'Brian Patrick'
;University of British Columbia
Canada
;
_audit_update_record             
;
2019-04-25 deposited with the CCDC.	2019-05-23 downloaded from the CCDC.
;
_audit_creation_date             2018-08-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H30 B K N4 O3 Pt, 0.81(C4 H8 O)'
_chemical_formula_sum            'C27.24 H36.48 B K N4 O3.81 Pt'
_chemical_formula_weight         725.92
_chemical_melting_point          ?
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'
K K 0.2009 0.2494 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5788(15)
_cell_length_b                   11.2602(15)
_cell_length_c                   15.097(2)
_cell_angle_alpha                86.140(4)
_cell_angle_beta                 79.626(4)
_cell_angle_gamma                76.227(4)
_cell_volume                     1717.5(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9963
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.39
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   0.816
_shelx_estimated_absorpt_T_min   0.442
_exptl_absorpt_coefficient_mu    4.238
_exptl_absorpt_correction_T_max  0.656
_exptl_absorpt_correction_T_min  0.371
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 48427 reflections, Rint = 0.1450
 (20115 with I > 3sig(I), Rint = 0.1154)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             721
_exptl_crystal_recrystallization_method 
'The material was recrystallised from a mixture of THF and hexanes  by slow evaporation'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.073
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_number            6334
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.415
_diffrn_reflns_theta_min         1.372
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Bruker-Nonius Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5184
_reflns_number_total             6334
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_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  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         3.856
_refine_diff_density_min         -1.424
_refine_diff_density_rms         0.220
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         6334
_refine_ls_number_restraints     1113
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0712
_refine_ls_restrained_S_all      0.987
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1072P)²+11.2576P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1788
_refine_ls_wR_factor_ref         0.1865
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(O4)=Sof(C1B)=Sof(H1BA)=Sof(H1BB)=Sof(C1C)=Sof(H1CA)=Sof(H1CB)=Sof(C1D)=
 Sof(H1DA)=Sof(H1DB)=Sof(C1E)=Sof(H1EA)=Sof(H1EB)=FVAR(1)
 Sof(C1A)=Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3A)=Sof(C4A)=Sof(H4A)=Sof(C5A)=
 Sof(H5A)=Sof(C6A)=Sof(H6A)=Sof(C7A)=Sof(C8A)=Sof(H8A)=Sof(C9A)=Sof(H9A)=
 Sof(C10A)=Sof(H10A)=Sof(C11A)=Sof(H11A)=Sof(C12A)=Sof(H12A)=1-FVAR(2)
 Sof(C1)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5)=
 Sof(C6)=Sof(H6)=Sof(C7)=Sof(C8)=Sof(H8)=Sof(C9)=Sof(H9)=Sof(C10)=Sof(H10)=
 Sof(C11)=Sof(H11)=Sof(C12)=Sof(H12)=FVAR(2)
5.a Free rotating group:
 O4(C1B,C1C,C1D,C1E)
5.b Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,H24B), C1B(H1BA,
 H1BB), C1C(H1CA,H1CB), C1D(H1DA,H1DB), C1E(H1EA,H1EB)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C2A(H2A), C3A(H3A), C4A(H4A),
 C5A(H5A), C6A(H6A), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C8A(H8A),
 C9A(H9A), C10A(H10A), C11A(H11A), C12A(H12A), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18)
5.d Fitted hexagon refined as free rotating group:
 C1(C2,C3,C4,C5,C6), C1A(C2A,C3A,C4A,C5A,C6A), C7(C8,C9,C10,C11,C12), C7A(C8A,
 C9A,C10A,C11A,C12A)
5.e Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.91982(4) 0.74155(4) 0.24367(3) 0.03869(18) Uani 1 1 d . U . . .
K1 K 0.5787(2) 0.6292(2) 0.18427(16) 0.0365(5) Uani 1 1 d . U . . .
O1 O 1.3655(6) 0.7756(7) 0.2653(6) 0.0422(17) Uani 1 1 d . U . . .
O2 O 1.3231(7) 0.6288(7) 0.1870(5) 0.0411(16) Uani 1 1 d . U . . .
O3 O 0.6684(9) 0.4343(8) 0.0822(7) 0.065(2) Uani 1 1 d . U . . .
N1 N 1.1741(8) 0.8345(8) 0.1871(6) 0.0397(19) Uani 1 1 d . U . . .
N2 N 1.0449(7) 0.8490(8) 0.1779(6) 0.0352(19) Uani 1 1 d . U . . .
N3 N 1.1697(8) 0.6941(9) 0.3287(6) 0.0394(19) Uani 1 1 d . U . . .
N4 N 1.0414(8) 0.6917(9) 0.3419(6) 0.0390(19) Uani 1 1 d . U . . .
C1 C 0.795(4) 0.635(3) 0.305(3) 0.046(4) Uani 0.55(5) 1 d . U P A 1
C2 C 0.677(4) 0.681(3) 0.363(3) 0.051(5) Uani 0.55(5) 1 d G U P A 1
H2 H 0.653442 0.764753 0.377861 0.061 Uiso 0.55(5) 1 calc R . P A 1
C3 C 0.595(3) 0.604(3) 0.398(2) 0.052(6) Uani 0.55(5) 1 d G U P A 1
H3 H 0.514930 0.634728 0.437828 0.062 Uiso 0.55(5) 1 calc R . P A 1
C4 C 0.630(3) 0.481(3) 0.376(2) 0.049(6) Uani 0.55(5) 1 d G U P A 1
H4 H 0.574131 0.428105 0.400666 0.059 Uiso 0.55(5) 1 calc R . P A 1
C5 C 0.748(3) 0.435(3) 0.319(2) 0.050(5) Uani 0.55(5) 1 d G U P A 1
H5 H 0.771845 0.351503 0.303538 0.060 Uiso 0.55(5) 1 calc R . P A 1
C6 C 0.830(3) 0.513(3) 0.283(2) 0.051(5) Uani 0.55(5) 1 d G U P A 1
H6 H 0.910359 0.481525 0.243570 0.061 Uiso 0.55(5) 1 calc R . P A 1
C1A C 0.794(5) 0.640(4) 0.307(4) 0.045(4) Uani 0.45(5) 1 d . U P A 2
C2A C 0.680(5) 0.705(3) 0.360(3) 0.054(6) Uani 0.45(5) 1 d G U P A 2
H2A H 0.666395 0.791065 0.365282 0.065 Uiso 0.45(5) 1 calc R . P A 2
C3A C 0.586(4) 0.644(4) 0.405(2) 0.048(6) Uani 0.45(5) 1 d G U P A 2
H3A H 0.508290 0.688710 0.440614 0.058 Uiso 0.45(5) 1 calc R . P A 2
C4A C 0.606(3) 0.519(4) 0.396(3) 0.060(8) Uani 0.45(5) 1 d G U P A 2
H4A H 0.541802 0.477229 0.427076 0.072 Uiso 0.45(5) 1 calc R . P A 2
C5A C 0.720(4) 0.454(3) 0.344(3) 0.055(7) Uani 0.45(5) 1 d G U P A 2
H5A H 0.733421 0.368102 0.338207 0.066 Uiso 0.45(5) 1 calc R . P A 2
C6A C 0.814(4) 0.515(4) 0.299(3) 0.052(6) Uani 0.45(5) 1 d G U P A 2
H6A H 0.891529 0.470455 0.262874 0.062 Uiso 0.45(5) 1 calc R . P A 2
C7 C 0.806(3) 0.777(3) 0.140(2) 0.042(4) Uani 0.55(5) 1 d . U P A 1
C8 C 0.840(3) 0.701(3) 0.067(2) 0.046(5) Uani 0.55(5) 1 d G U P A 1
H8 H 0.916070 0.635871 0.062163 0.055 Uiso 0.55(5) 1 calc R . P A 1
C9 C 0.761(3) 0.720(3) 0.0000(19) 0.047(5) Uani 0.55(5) 1 d G U P A 1
H9 H 0.784565 0.668509 -0.050288 0.056 Uiso 0.55(5) 1 calc R . P A 1
C10 C 0.649(3) 0.816(3) 0.0068(19) 0.040(5) Uani 0.55(5) 1 d G U P A 1
H10 H 0.595994 0.828968 -0.038862 0.048 Uiso 0.55(5) 1 calc R . P A 1
C11 C 0.615(2) 0.892(2) 0.080(2) 0.036(5) Uani 0.55(5) 1 d G U P A 1
H11 H 0.538928 0.956790 0.085014 0.043 Uiso 0.55(5) 1 calc R . P A 1
C12 C 0.694(3) 0.872(3) 0.1472(19) 0.037(4) Uani 0.55(5) 1 d G U P A 1
H12 H 0.670431 0.924153 0.197466 0.044 Uiso 0.55(5) 1 calc R . P A 1
C7A C 0.801(3) 0.787(3) 0.155(2) 0.032(4) Uani 0.45(5) 1 d . U P A 2
C8A C 0.822(3) 0.723(3) 0.076(2) 0.035(5) Uani 0.45(5) 1 d G U P A 2
H8A H 0.898107 0.658101 0.062736 0.042 Uiso 0.45(5) 1 calc R . P A 2
C9A C 0.733(3) 0.755(3) 0.016(2) 0.040(5) Uani 0.45(5) 1 d G U P A 2
H9A H 0.748256 0.710874 -0.037973 0.048 Uiso 0.45(5) 1 calc R . P A 2
C10A C 0.623(3) 0.850(3) 0.035(2) 0.038(7) Uani 0.45(5) 1 d G U P A 2
H10A H 0.561812 0.871619 -0.005825 0.045 Uiso 0.45(5) 1 calc R . P A 2
C11A C 0.601(3) 0.914(3) 0.114(2) 0.038(6) Uani 0.45(5) 1 d G U P A 2
H11A H 0.525217 0.979591 0.127032 0.045 Uiso 0.45(5) 1 calc R . P A 2
C12A C 0.690(3) 0.883(3) 0.174(2) 0.037(5) Uani 0.45(5) 1 d G U P A 2
H12A H 0.675066 0.926820 0.227743 0.044 Uiso 0.45(5) 1 calc R . P A 2
C13 C 1.2224(11) 0.9188(11) 0.1349(10) 0.056(3) Uani 1 1 d . U . . .
H13 H 1.310268 0.928606 0.128944 0.067 Uiso 1 1 calc R . . . .
C14 C 1.1243(13) 0.9917(13) 0.0896(11) 0.068(4) Uani 1 1 d . U . . .
H14 H 1.130872 1.057193 0.047241 0.082 Uiso 1 1 calc R . . . .
C15 C 1.0196(12) 0.9444(11) 0.1217(9) 0.055(3) Uani 1 1 d . U . . .
H15 H 0.934949 0.976320 0.105739 0.066 Uiso 1 1 calc R . . . .
C16 C 1.2182(12) 0.6503(13) 0.4022(8) 0.055(3) Uani 1 1 d . U . . .
H16 H 1.307183 0.640312 0.410260 0.066 Uiso 1 1 calc R . . . .
C17 C 1.1177(13) 0.6217(15) 0.4651(9) 0.066(4) Uani 1 1 d . U . . .
H17 H 1.122079 0.591463 0.525024 0.079 Uiso 1 1 calc R . . . .
C18 C 1.0095(12) 0.6465(12) 0.4224(8) 0.051(3) Uani 1 1 d . U . . .
H18 H 0.924943 0.632866 0.447570 0.061 Uiso 1 1 calc R . . . .
C19 C 1.3344(14) 0.8798(13) 0.3196(10) 0.065(4) Uani 1 1 d . U . . .
H19A H 1.276030 0.865537 0.375474 0.097 Uiso 1 1 calc GR . . . .
H19B H 1.289853 0.951111 0.286902 0.097 Uiso 1 1 calc GR . . . .
H19C H 1.415837 0.894957 0.333998 0.097 Uiso 1 1 calc GR . . . .
C20 C 1.2457(12) 0.5531(12) 0.1609(10) 0.056(3) Uani 1 1 d . U . . .
H20A H 1.300919 0.495443 0.115915 0.084 Uiso 1 1 calc GR . . . .
H20B H 1.171852 0.604392 0.135116 0.084 Uiso 1 1 calc GR . . . .
H20C H 1.211450 0.507683 0.213823 0.084 Uiso 1 1 calc GR . . . .
C21 C 0.8098(15) 0.3851(14) 0.0695(12) 0.071(4) Uani 1 1 d . U . . .
H21A H 0.851356 0.411561 0.009674 0.086 Uiso 1 1 calc R . . . .
H21B H 0.847597 0.416200 0.116118 0.086 Uiso 1 1 calc R . . . .
C22 C 0.8366(18) 0.2533(15) 0.0757(14) 0.089(5) Uani 1 1 d . U . . .
H22A H 0.890415 0.221227 0.123004 0.107 Uiso 1 1 calc R . . . .
H22B H 0.883655 0.217000 0.017494 0.107 Uiso 1 1 calc R . . . .
C23 C 0.6985(19) 0.2255(16) 0.1001(16) 0.100(5) Uani 1 1 d . U . . .
H23A H 0.694724 0.151827 0.069268 0.121 Uiso 1 1 calc R . . . .
H23B H 0.674667 0.212620 0.165943 0.121 Uiso 1 1 calc R . . . .
C24 C 0.6086(15) 0.3370(13) 0.0678(11) 0.068(3) Uani 1 1 d . U . . .
H24A H 0.604643 0.331616 0.003182 0.081 Uiso 1 1 calc R . . . .
H24B H 0.518273 0.348581 0.102941 0.081 Uiso 1 1 calc R . . . .
B1 B 1.2540(11) 0.7372(12) 0.2467(9) 0.038(2) Uani 1 1 d . U . . .
O4 O 0.2004(13) 0.2405(16) 0.2538(9) 0.119(6) Uani 0.810(18) 1 d . U P B -1
C1B C 0.3407(14) 0.2214(17) 0.2222(8) 0.095(7) Uani 0.810(18) 1 d G U P B -1
H1BA H 0.358168 0.259408 0.161590 0.114 Uiso 0.810(18) 1 calc R . P B -1
H1BB H 0.382339 0.132846 0.218972 0.114 Uiso 0.810(18) 1 calc R . P B -1
C1C C 0.3957(14) 0.281(2) 0.2905(12) 0.136(9) Uani 0.810(18) 1 d G U P B -1
H1CA H 0.390779 0.369188 0.275402 0.163 Uiso 0.810(18) 1 calc R . P B -1
H1CB H 0.488197 0.239481 0.294182 0.163 Uiso 0.810(18) 1 calc R . P B -1
C1D C 0.3019(18) 0.264(2) 0.3784(8) 0.136(9) Uani 0.810(18) 1 d G U P B -1
H1DA H 0.327913 0.180755 0.404988 0.163 Uiso 0.810(18) 1 calc R . P B -1
H1DB H 0.298619 0.325238 0.423241 0.163 Uiso 0.810(18) 1 calc R . P B -1
C1E C 0.1696(14) 0.2834(18) 0.3449(9) 0.109(8) Uani 0.810(18) 1 d G U P B -1
H1EA H 0.111422 0.236476 0.383395 0.131 Uiso 0.810(18) 1 calc R . P B -1
H1EB H 0.124161 0.371072 0.346123 0.131 Uiso 0.810(18) 1 calc R . P B -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 N2 2.080(8) . ?
Pt1 N4 2.098(9) . ?
Pt1 C1 2.05(2) . ?
Pt1 C1A 2.03(3) . ?
Pt1 C7 2.10(2) . ?
Pt1 C7A 1.97(2) . ?
K1 O1 2.609(7) 1_455 ?
K1 O2 2.698(8) 1_455 ?
K1 O3 2.651(10) . ?
K1 C1 3.19(5) . ?
K1 C2 3.20(5) . ?
K1 C6 3.24(4) . ?
K1 C1A 3.21(6) . ?
K1 C7 3.19(4) . ?
K1 C12 3.23(3) . ?
K1 C7A 3.22(4) . ?
K1 C8A 3.16(4) . ?
K1 C9A 3.20(3) . ?
O1 C19 1.417(15) . ?
O1 B1 1.427(13) . ?
O2 C20 1.430(14) . ?
O2 B1 1.524(15) . ?
O3 C21 1.449(17) . ?
O3 C24 1.435(16) . ?
N1 N2 1.369(11) . ?
N1 C13 1.329(14) . ?
N1 B1 1.557(15) . ?
N2 C15 1.330(14) . ?
N3 N4 1.342(12) . ?
N3 C16 1.323(14) . ?
N3 B1 1.513(15) . ?
N4 C18 1.304(15) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 H2 0.9500 . ?
C2 C3 1.3900 . ?
C3 H3 0.9500 . ?
C3 C4 1.3900 . ?
C4 H4 0.9500 . ?
C4 C5 1.3900 . ?
C5 H5 0.9500 . ?
C5 C6 1.3900 . ?
C6 H6 0.9500 . ?
C1A C2A 1.3900 . ?
C1A C6A 1.3900 . ?
C2A H2A 0.9500 . ?
C2A C3A 1.3900 . ?
C3A H3A 0.9500 . ?
C3A C4A 1.3900 . ?
C4A H4A 0.9500 . ?
C4A C5A 1.3900 . ?
C5A H5A 0.9500 . ?
C5A C6A 1.3900 . ?
C6A H6A 0.9500 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 H8 0.9500 . ?
C8 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C12 1.3900 . ?
C12 H12 0.9500 . ?
C7A C8A 1.3900 . ?
C7A C12A 1.3900 . ?
C8A H8A 0.9500 . ?
C8A C9A 1.3900 . ?
C9A H9A 0.9500 . ?
C9A C10A 1.3900 . ?
C10A H10A 0.9500 . ?
C10A C11A 1.3900 . ?
C11A H11A 0.9500 . ?
C11A C12A 1.3900 . ?
C12A H12A 0.9500 . ?
C13 H13 0.9500 . ?
C13 C14 1.411(18) . ?
C14 H14 0.9500 . ?
C14 C15 1.341(17) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C16 C17 1.376(18) . ?
C17 H17 0.9500 . ?
C17 C18 1.376(17) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.44(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.54(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.49(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
O4 C1B 1.4433 . ?
O4 C1E 1.4432 . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
C1B C1C 1.5347 . ?
C1C H1CA 0.9900 . ?
C1C H1CB 0.9900 . ?
C1C C1D 1.5389 . ?
C1D H1DA 0.9900 . ?
C1D H1DB 0.9900 . ?
C1D C1E 1.5349 . ?
C1E H1EA 0.9900 . ?
C1E H1EB 0.9900 . ?

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
N2 Pt1 N4 89.7(3) . . ?
N2 Pt1 C7 91.3(10) . . ?
N4 Pt1 C7 175.1(10) . . ?
C1 Pt1 N2 178.4(15) . . ?
C1 Pt1 N4 91.8(15) . . ?
C1 Pt1 C7 87.2(19) . . ?
C1A Pt1 N2 178.5(16) . . ?
C1A Pt1 N4 91.5(19) . . ?
C7A Pt1 N2 92.1(13) . . ?
C7A Pt1 N4 178.0(12) . . ?
C7A Pt1 C1A 87(2) . . ?
O1 K1 O2 50.5(2) 1_455 1_455 ?
O1 K1 O3 144.2(3) 1_455 . ?
O1 K1 C1 103.8(7) 1_455 . ?
O1 K1 C2 79.8(7) 1_455 . ?
O1 K1 C6 122.5(6) 1_455 . ?
O1 K1 C1A 102.9(9) 1_455 . ?
O1 K1 C7 108.0(6) 1_455 . ?
O1 K1 C12 84.9(6) 1_455 . ?
O1 K1 C7A 104.8(6) 1_455 . ?
O1 K1 C8A 123.0(6) 1_455 . ?
O1 K1 C9A 113.7(6) 1_455 . ?
O2 K1 C1 144.8(6) 1_455 . ?
O2 K1 C2 120.7(6) 1_455 . ?
O2 K1 C6 143.0(5) 1_455 . ?
O2 K1 C1A 144.4(7) 1_455 . ?
O2 K1 C7 147.6(5) 1_455 . ?
O2 K1 C12 123.4(5) 1_455 . ?
O2 K1 C7A 146.9(5) 1_455 . ?
O2 K1 C8A 144.1(5) 1_455 . ?
O2 K1 C9A 119.1(5) 1_455 . ?
O3 K1 O2 93.7(3) . 1_455 ?
O3 K1 C1 107.7(7) . . ?
O3 K1 C2 127.4(7) . . ?
O3 K1 C6 84.3(7) . . ?
O3 K1 C1A 108.7(9) . . ?
O3 K1 C7 104.3(7) . . ?
O3 K1 C12 122.8(6) . . ?
O3 K1 C7A 108.2(7) . . ?
O3 K1 C8A 85.4(6) . . ?
O3 K1 C9A 82.1(7) . . ?
C1 K1 C2 25.2(4) . . ?
C1 K1 C6 24.9(3) . . ?
C1 K1 C7 53.4(6) . . ?
C1 K1 C12 67.3(7) . . ?
C2 K1 C6 43.9(5) . . ?
C2 K1 C12 72.1(8) . . ?
C1A K1 C7A 50.4(8) . . ?
C7 K1 C2 68.4(8) . . ?
C7 K1 C6 66.8(6) . . ?
C7 K1 C12 25.0(2) . . ?
C12 K1 C6 87.0(7) . . ?
C8A K1 C1A 67.3(8) . . ?
C8A K1 C7A 25.1(3) . . ?
C8A K1 C9A 25.2(3) . . ?
C9A K1 C1A 91.8(8) . . ?
C9A K1 C7A 44.0(4) . . ?
C19 O1 K1 137.0(7) . 1_655 ?
C19 O1 B1 114.8(9) . . ?
B1 O1 K1 108.2(7) . 1_655 ?
C20 O2 K1 139.5(7) . 1_655 ?
C20 O2 B1 118.9(8) . . ?
B1 O2 K1 101.0(5) . 1_655 ?
C21 O3 K1 115.7(8) . . ?
C24 O3 K1 131.2(8) . . ?
C24 O3 C21 107.3(11) . . ?
N2 N1 B1 127.3(8) . . ?
C13 N1 N2 107.9(9) . . ?
C13 N1 B1 124.8(9) . . ?
N1 N2 Pt1 124.9(6) . . ?
C15 N2 Pt1 129.4(7) . . ?
C15 N2 N1 105.7(8) . . ?
N4 N3 B1 129.4(8) . . ?
C16 N3 N4 108.6(9) . . ?
C16 N3 B1 122.0(9) . . ?
N3 N4 Pt1 124.3(7) . . ?
C18 N4 Pt1 126.8(8) . . ?
C18 N4 N3 108.8(9) . . ?
Pt1 C1 K1 110.5(18) . . ?
C2 C1 Pt1 123.6(18) . . ?
C2 C1 K1 77.7(11) . . ?
C2 C1 C6 120.0 . . ?
C6 C1 Pt1 116.3(18) . . ?
C6 C1 K1 79.8(11) . . ?
K1 C2 H2 113.2 . . ?
C1 C2 K1 77.1(12) . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C3 C2 K1 80.1(12) . . ?
C3 C2 H2 120.0 . . ?
K1 C3 H3 115.6 . . ?
C2 C3 K1 75.0(13) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C4 C3 K1 80.0(11) . . ?
C4 C3 H3 120.0 . . ?
K1 C4 H4 117.6 . . ?
C3 C4 K1 75.6(12) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 K1 77.6(11) . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
K1 C5 H5 117.4 . . ?
C4 C5 K1 78.2(11) . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.0 . . ?
C6 C5 K1 75.2(13) . . ?
C6 C5 H5 120.0 . . ?
K1 C6 H6 115.0 . . ?
C1 C6 K1 75.3(12) . . ?
C1 C6 H6 120.0 . . ?
C5 C6 K1 80.3(12) . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
Pt1 C1A K1 110(2) . . ?
C2A C1A Pt1 116(2) . . ?
C2A C1A K1 79.8(13) . . ?
C2A C1A C6A 120.0 . . ?
C6A C1A Pt1 124(2) . . ?
C6A C1A K1 79.1(14) . . ?
K1 C2A H2A 113.5 . . ?
C1A C2A K1 75.4(14) . . ?
C1A C2A H2A 120.0 . . ?
C3A C2A K1 81.6(15) . . ?
C3A C2A C1A 120.0 . . ?
C3A C2A H2A 120.0 . . ?
K1 C3A H3A 116.9 . . ?
C2A C3A K1 74.2(16) . . ?
C2A C3A H3A 120.0 . . ?
C2A C3A C4A 120.0 . . ?
C4A C3A K1 79.6(14) . . ?
C4A C3A H3A 120.0 . . ?
K1 C4A H4A 118.3 . . ?
C3A C4A K1 76.6(14) . . ?
C3A C4A H4A 120.0 . . ?
C5A C4A K1 76.0(13) . . ?
C5A C4A C3A 120.0 . . ?
C5A C4A H4A 120.0 . . ?
K1 C5A H5A 116.3 . . ?
C4A C5A K1 80.2(13) . . ?
C4A C5A H5A 120.0 . . ?
C4A C5A C6A 120.0 . . ?
C6A C5A K1 74.2(16) . . ?
C6A C5A H5A 120.0 . . ?
K1 C6A H6A 112.9 . . ?
C1A C6A K1 76.0(15) . . ?
C1A C6A H6A 120.0 . . ?
C5A C6A K1 81.5(16) . . ?
C5A C6A C1A 120.0 . . ?
C5A C6A H6A 120.0 . . ?
Pt1 C7 K1 109.0(13) . . ?
C8 C7 Pt1 119.5(14) . . ?
C8 C7 K1 79.8(9) . . ?
C8 C7 C12 120.0 . . ?
C12 C7 Pt1 120.4(14) . . ?
C12 C7 K1 79.1(9) . . ?
K1 C8 H8 113.5 . . ?
C7 C8 K1 75.2(9) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 K1 81.7(9) . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
K1 C9 H9 117.1 . . ?
C8 C9 K1 74.0(9) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 K1 79.7(8) . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
K1 C10 H10 118.6 . . ?
C9 C10 K1 76.5(9) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 K1 75.8(8) . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
K1 C11 H11 116.5 . . ?
C10 C11 K1 80.3(9) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 K1 73.9(9) . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
K1 C12 H12 112.9 . . ?
C7 C12 K1 75.8(9) . . ?
C7 C12 H12 120.0 . . ?
C11 C12 K1 81.7(9) . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12 120.0 . . ?
Pt1 C7A K1 111.5(16) . . ?
C8A C7A Pt1 121.3(17) . . ?
C8A C7A K1 74.9(10) . . ?
C8A C7A C12A 120.0 . . ?
C12A C7A Pt1 118.6(17) . . ?
C12A C7A K1 81.8(10) . . ?
K1 C8A H8A 111.5 . . ?
C7A C8A K1 80.0(10) . . ?
C7A C8A H8A 120.0 . . ?
C7A C8A C9A 120.0 . . ?
C9A C8A K1 79.0(10) . . ?
C9A C8A H8A 120.0 . . ?
K1 C9A H9A 112.9 . . ?
C8A C9A K1 75.8(11) . . ?
C8A C9A H9A 120.0 . . ?
C10A C9A K1 81.7(10) . . ?
C10A C9A C8A 120.0 . . ?
C10A C9A H9A 120.0 . . ?
K1 C10A H10A 116.6 . . ?
C9A C10A K1 73.7(11) . . ?
C9A C10A H10A 120.0 . . ?
C9A C10A C11A 120.0 . . ?
C11A C10A K1 80.4(10) . . ?
C11A C10A H10A 120.0 . . ?
K1 C11A H11A 118.9 . . ?
C10A C11A K1 75.6(9) . . ?
C10A C11A H11A 120.0 . . ?
C12A C11A K1 76.5(10) . . ?
C12A C11A C10A 120.0 . . ?
C12A C11A H11A 120.0 . . ?
K1 C12A H12A 117.5 . . ?
C7A C12A K1 73.8(11) . . ?
C7A C12A H12A 120.0 . . ?
C11A C12A K1 79.5(10) . . ?
C11A C12A C7A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
N1 C13 H13 124.8 . . ?
N1 C13 C14 110.3(10) . . ?
C14 C13 H13 124.8 . . ?
C13 C14 H14 129.0 . . ?
C15 C14 C13 102.0(11) . . ?
C15 C14 H14 129.0 . . ?
N2 C15 C14 114.0(11) . . ?
N2 C15 H15 123.0 . . ?
C14 C15 H15 123.0 . . ?
N3 C16 H16 125.8 . . ?
N3 C16 C17 108.3(10) . . ?
C17 C16 H16 125.8 . . ?
C16 C17 H17 127.5 . . ?
C16 C17 C18 105.1(11) . . ?
C18 C17 H17 127.5 . . ?
N4 C18 C17 109.1(11) . . ?
N4 C18 H18 125.4 . . ?
C17 C18 H18 125.4 . . ?
O1 C19 H19A 109.5 . . ?
O1 C19 H19B 109.5 . . ?
O1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O2 C20 H20A 109.5 . . ?
O2 C20 H20B 109.5 . . ?
O2 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
K1 C21 H21A 111.9 . . ?
K1 C21 H21B 69.0 . . ?
O3 C21 K1 42.6(6) . . ?
O3 C21 H21A 109.8 . . ?
O3 C21 H21B 109.8 . . ?
H21A C21 H21B 108.2 . . ?
C22 C21 K1 136.1(12) . . ?
C22 C21 O3 109.4(13) . . ?
C22 C21 H21A 109.8 . . ?
C22 C21 H21B 109.8 . . ?
C21 C22 H22A 111.0 . . ?
C21 C22 H22B 111.0 . . ?
C21 C22 C23 104.0(14) . . ?
H22A C22 H22B 109.0 . . ?
C23 C22 H22A 111.0 . . ?
C23 C22 H22B 111.0 . . ?
C22 C23 H23A 111.0 . . ?
C22 C23 H23B 111.0 . . ?
H23A C23 H23B 109.0 . . ?
C24 C23 C22 103.9(14) . . ?
C24 C23 H23A 111.0 . . ?
C24 C23 H23B 111.0 . . ?
O3 C24 C23 103.5(13) . . ?
O3 C24 H24A 111.1 . . ?
O3 C24 H24B 111.1 . . ?
C23 C24 H24A 111.1 . . ?
C23 C24 H24B 111.1 . . ?
H24A C24 H24B 109.0 . . ?
O1 B1 K1 47.9(5) . 1_655 ?
O1 B1 O2 100.3(8) . . ?
O1 B1 N1 110.9(9) . . ?
O1 B1 N3 114.6(10) . . ?
O2 B1 K1 52.4(4) . 1_655 ?
O2 B1 N1 106.7(9) . . ?
N1 B1 K1 120.7(6) . 1_655 ?
N3 B1 K1 125.4(7) . 1_655 ?
N3 B1 O2 109.3(9) . . ?
N3 B1 N1 113.8(8) . . ?
C1E O4 C1B 109.5 . . ?
O4 C1B H1BA 110.4 . . ?
O4 C1B H1BB 110.4 . . ?
O4 C1B C1C 106.4 . . ?
H1BA C1B H1BB 108.6 . . ?
C1C C1B H1BA 110.4 . . ?
C1C C1B H1BB 110.4 . . ?
C1B C1C H1CA 111.5 . . ?
C1B C1C H1CB 111.5 . . ?
C1B C1C C1D 101.5 . . ?
H1CA C1C H1CB 109.3 . . ?
C1D C1C H1CA 111.5 . . ?
C1D C1C H1CB 111.5 . . ?
C1C C1D H1DA 111.5 . . ?
C1C C1D H1DB 111.5 . . ?
H1DA C1D H1DB 109.3 . . ?
C1E C1D C1C 101.5 . . ?
C1E C1D H1DA 111.5 . . ?
C1E C1D H1DB 111.5 . . ?
O4 C1E C1D 106.4 . . ?
O4 C1E H1EA 110.5 . . ?
O4 C1E H1EB 110.5 . . ?
C1D C1E H1EA 110.5 . . ?
C1D C1E H1EB 110.5 . . ?
H1EA C1E H1EB 108.6 . . ?

# end Validation Reply Form
_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.051 0.000 0.500 287 81 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_date_sample_data_collection 2018-08-01
_olex2_date_sample_submission    2018-08-01
_olex2_diffrn_ambient_temperature_device Kryoflex
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_original_sample_id KPZ2BOMe2
_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT342_jl304_sq_sq         
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02114 Ang.  
RESPONSE: I suspect this is the result of the disorder of the two phenyl rings
in the system, coupled with the weak, twinned data.
;
_vrf_PLAT973_jl304_sq_sq         
;
PROBLEM: Check Calcd Positive Resid. Density on       Pt1       1.62 eA-3  
RESPONSE: I suspect this is the result of the disorder of the two phenyl rings
in the system, coupled with the weak, twinned data.
;
# start Validation Reply Form
_vrf_PLAT975_jl304_sq_sq         
;
PROBLEM: Check Calcd Resid. Dens.  1.03A   From O1              2.06 eA-3  
RESPONSE: There are several residual electron density peaks scattered throughout
the asymmetric unit.  I believe these are the result of twinning, or at least
additional small unresolved domains.  Three separate domains were identified, one
related by roughly 180 degrees about [1 0 0], another roughly 180 degrees about
[0 1 -1].  There remained un-indexed reflections, however no orientation of the 
unit cell could be found that would result in a reasonable integration.  None of
the remaining residual peaks appear to be disorder or any other chemical entity.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jl312
_database_code_depnum_ccdc_archive 'CCDC 1912293'
loop_
_audit_author_name
_audit_author_address
'Brian Patrick'
;University of British Columbia
Canada
;
_audit_update_record             
;
2019-04-25 deposited with the CCDC.	2019-05-23 downloaded from the CCDC.
;
_audit_creation_date             2018-11-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C52 H68 B2 K2 N8 O4 Pt2)'
_chemical_formula_sum            'C26 H34 B K N4 O2 Pt'
_chemical_formula_weight         679.57
_chemical_melting_point          ?
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'
K K 0.2009 0.2494 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   9.6073(5)
_cell_length_b                   15.6781(9)
_cell_length_c                   35.365(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.8910(11)
_cell_angle_gamma                90
_cell_volume                     5307.5(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.56
_cell_measurement_theta_min      2.52
_shelx_estimated_absorpt_T_max   0.639
_shelx_estimated_absorpt_T_min   0.366
_exptl_absorpt_coefficient_mu    5.475
_exptl_absorpt_correction_T_max  0.611
_exptl_absorpt_correction_T_min  0.480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker, 2016/2) was used for absorption correction. wR2(int) was 0.0840 before and 0.0460 after correction. The ratio of minimum to maximum transmission is 0.7853. The λ/2 correction factor is not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       blade
_exptl_crystal_F_000             2688
_exptl_crystal_recrystallization_method 
'The material was recrystallised from a mixture of THF and hexanes  by slow evaporation'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            59453
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.563
_diffrn_reflns_theta_min         1.422
_diffrn_ambient_temperature      90(2)
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Bruker D8 Kappa diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'TRIUMPH curved-crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12183
_reflns_number_total             16275
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_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  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         1.274
_refine_diff_density_min         -1.957
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     793
_refine_ls_number_reflns         16275
_refine_ls_number_restraints     337
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0301
_refine_ls_restrained_S_all      1.028
_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)+(0.0099P)²+9.0762P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0548
_refine_ls_wR_factor_ref         0.0597
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 O1-C23 \\sim O2-C22A \\sim O2-C22 \\sim O2-C19
 with sigma of 0.01
 C24-C23 \\sim C22A-C21 \\sim C22-C21A \\sim C20A-C19 \\sim C20-C19
 with sigma of 0.01
 C25-C24 \\sim C21-C20 \\sim C20A-C21A
 with sigma of 0.01
 O3-C52 \\sim O4-C48 \\sim O4-C48A \\sim O4-C45
 with sigma of 0.01
 C52-C51 \\sim C48A-C47A \\sim C48-C47 \\sim C46-C45 \\sim C46A-C45
 with sigma of 0.01
 C51-C50 \\sim C47-C46 \\sim C47A-C46A
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
O2 \\sim C19 \\sim C20 \\sim C20A \\sim C21 \\sim C21A \\sim C22A \\sim C22
\\sim C22A: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
O4 \\sim C45 \\sim C46 \\sim C47 \\sim C48 \\sim C46A \\sim C47A \\sim C48A:
within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(C20A) = Uanis(C20)
4. Rigid body (RIGU) restrains
 O2, C19, C20, C20A, C21, C21A, C22A, C22, C22A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O4, C45, C46, C47, C48, C46A, C47A, C48A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(H19C)=Sof(H19D)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(C21)=Sof(H21A)=Sof(H21B)=
 Sof(C22)=Sof(H22C)=Sof(H22D)=1-FVAR(1)
 Sof(H19A)=Sof(H19B)=Sof(C20A)=Sof(H20C)=Sof(H20D)=Sof(C21A)=Sof(H21C)=
 Sof(H21D)=Sof(C22A)=Sof(H22A)=Sof(H22B)=FVAR(1)
 Sof(H45C)=Sof(H45D)=Sof(C46)=Sof(H46C)=Sof(H46D)=Sof(C47)=Sof(H47C)=Sof(H47D)=
 Sof(C48)=Sof(H48C)=Sof(H48D)=1-FVAR(2)
 Sof(H45A)=Sof(H45B)=Sof(C46A)=Sof(H46A)=Sof(H46B)=Sof(C47A)=Sof(H47A)=
 Sof(H47B)=Sof(C48A)=Sof(H48A)=Sof(H48B)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C19(H19C,H19D), C19(H19A,H19B), C20(H20A,H20B), C20A(H20C,H20D), C21(H21A,
 H21B), C21A(H21C,H21D), C22A(H22A,H22B), C22(H22C,H22D), C23(H23A,H23B),
 C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B), C45(H45A,H45B), C45(H45C,H45D),
  C46A(H46A,H46B), C47A(H47A,H47B), C48A(H48A,H48B), C49(H49A,H49B), C50(H50A,
 H50B), C51(H51A,H51B), C52(H52A,H52B), C46(H46C,H46D), C47(H47C,H47D),
 C48(H48C,H48D)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.66738(2) 0.96287(2) 0.61985(2) 0.01102(3) Uani 1 1 d . . . . .
Pt2 Pt 1.15790(2) 0.46510(2) 0.61718(2) 0.01083(3) Uani 1 1 d . . . . .
K1 K 0.69190(7) 0.68949(4) 0.63283(2) 0.01652(13) Uani 1 1 d . . . . .
K2 K 1.18655(8) 0.18712(5) 0.63747(2) 0.02227(15) Uani 1 1 d . . . . .
O1 O 0.6925(2) 0.57139(14) 0.68806(7) 0.0216(5) Uani 1 1 d D . . . .
O2 O 0.6588(2) 0.54672(14) 0.59150(7) 0.0228(5) Uani 1 1 d D U . . .
O3 O 1.2258(2) 0.06099(15) 0.69229(7) 0.0247(5) Uani 1 1 d D . . . .
O4 O 1.1784(3) 0.04555(16) 0.59583(7) 0.0313(6) Uani 1 1 d D U . . .
N1 N 0.5662(3) 1.12863(16) 0.58131(8) 0.0169(6) Uani 1 1 d . . . . .
N2 N 0.6094(2) 1.04730(15) 0.57533(7) 0.0138(5) Uani 1 1 d . . . . .
N3 N 0.6840(3) 1.14743(16) 0.64675(8) 0.0180(6) Uani 1 1 d . . . . .
N4 N 0.7442(3) 1.06928(16) 0.65137(7) 0.0139(5) Uani 1 1 d . . . . .
N5 N 1.0553(3) 0.62557(16) 0.57504(7) 0.0149(5) Uani 1 1 d . . . . .
N6 N 1.1057(2) 0.54535(15) 0.57071(7) 0.0139(5) Uani 1 1 d . . . . .
N7 N 1.1627(3) 0.65242(16) 0.64048(8) 0.0156(5) Uani 1 1 d . . . . .
N8 N 1.2268(2) 0.57556(16) 0.64711(7) 0.0135(5) Uani 1 1 d . . . . .
C1 C 0.7285(3) 0.88197(18) 0.66174(8) 0.0134(6) Uani 1 1 d . . . . .
C2 C 0.8679(3) 0.8539(2) 0.66754(10) 0.0174(6) Uani 1 1 d . . . . .
H2 H 0.928(4) 0.876(2) 0.6512(10) 0.021 Uiso 1 1 d R . . . .
C3 C 0.9126(3) 0.7970(2) 0.69651(10) 0.0208(7) Uani 1 1 d . . . . .
H3 H 1.005(4) 0.777(2) 0.6970(11) 0.025 Uiso 1 1 d R . . . .
C4 C 0.8205(4) 0.7662(2) 0.72079(10) 0.0213(7) Uani 1 1 d . . . . .
H4 H 0.849(4) 0.726(2) 0.7405(11) 0.026 Uiso 1 1 d R . . . .
C5 C 0.6820(3) 0.7915(2) 0.71593(9) 0.0186(6) Uani 1 1 d . . . . .
H5 H 0.616(4) 0.775(2) 0.7346(10) 0.022 Uiso 1 1 d R . . . .
C6 C 0.6371(3) 0.84744(19) 0.68683(9) 0.0153(6) Uani 1 1 d . . . . .
H6 H 0.540(4) 0.866(2) 0.6840(10) 0.018 Uiso 1 1 d R . . . .
C7 C 0.5979(3) 0.86096(18) 0.58961(8) 0.0117(6) Uani 1 1 d . . . . .
C8 C 0.6770(3) 0.8202(2) 0.56329(9) 0.0162(6) Uani 1 1 d . . . . .
H8 H 0.768(4) 0.841(2) 0.5594(10) 0.019 Uiso 1 1 d R . . . .
C9 C 0.6295(4) 0.7479(2) 0.54323(9) 0.0188(7) Uani 1 1 d . . . . .
H9 H 0.686(4) 0.724(2) 0.5265(11) 0.023 Uiso 1 1 d R . . . .
C10 C 0.4989(4) 0.7147(2) 0.54814(10) 0.0230(7) Uani 1 1 d . . . . .
H10 H 0.475(4) 0.666(2) 0.5352(11) 0.028 Uiso 1 1 d R . . . .
C11 C 0.4174(3) 0.7530(2) 0.57365(10) 0.0210(7) Uani 1 1 d . . . . .
H11 H 0.331(4) 0.730(2) 0.5768(11) 0.025 Uiso 1 1 d R . . . .
C12 C 0.4663(3) 0.8246(2) 0.59412(9) 0.0162(6) Uani 1 1 d . . . . .
H12 H 0.406(4) 0.846(2) 0.6092(10) 0.019 Uiso 1 1 d R . . . .
C13 C 0.5457(3) 1.1687(2) 0.54779(10) 0.0205(7) Uani 1 1 d . . . . .
H13 H 0.514(4) 1.225(2) 0.5468(11) 0.025 Uiso 1 1 d R . . . .
C14 C 0.5751(4) 1.1142(2) 0.51928(10) 0.0227(7) Uani 1 1 d . . . . .
H14 H 0.575(4) 1.125(2) 0.4945(11) 0.027 Uiso 1 1 d R . . . .
C15 C 0.6149(3) 1.0389(2) 0.53794(9) 0.0184(6) Uani 1 1 d . . . . .
H15 H 0.641(4) 0.989(2) 0.5278(10) 0.022 Uiso 1 1 d R . . . .
C16 C 0.7648(4) 1.2051(2) 0.66665(10) 0.0219(7) Uani 1 1 d . . . . .
H16 H 0.734(4) 1.260(2) 0.6659(11) 0.026 Uiso 1 1 d R . . . .
C17 C 0.8791(4) 1.1642(2) 0.68419(10) 0.0227(7) Uani 1 1 d . . . . .
H17 H 0.943(4) 1.193(2) 0.6988(11) 0.027 Uiso 1 1 d R . . . .
C18 C 0.8617(3) 1.0795(2) 0.67393(9) 0.0180(6) Uani 1 1 d . . . . .
H18 H 0.914(4) 1.034(2) 0.6796(11) 0.022 Uiso 1 1 d R . . . .
C19 C 0.7290(4) 0.5099(2) 0.56156(11) 0.0279(8) Uani 1 1 d D U . . .
H19C H 0.827612 0.497645 0.570296 0.033 Uiso 0.517(10) 1 calc R . P A 2
H19D H 0.727089 0.549467 0.539708 0.033 Uiso 0.517(10) 1 calc R . P A 2
H19A H 0.821500 0.487303 0.571211 0.033 Uiso 0.483(10) 1 calc R . P A 1
H19B H 0.741942 0.552435 0.541472 0.033 Uiso 0.483(10) 1 calc R . P A 1
C20 C 0.6521(11) 0.4276(8) 0.5502(5) 0.044(2) Uani 0.517(10) 1 d D U P A 2
H20A H 0.685160 0.379122 0.566480 0.053 Uiso 0.517(10) 1 calc R . P A 2
H20B H 0.660837 0.412986 0.523228 0.053 Uiso 0.517(10) 1 calc R . P A 2
C20A C 0.6328(15) 0.4382(9) 0.5465(4) 0.044(2) Uani 0.483(10) 1 d D U P A 1
H20C H 0.686098 0.390188 0.536708 0.053 Uiso 0.483(10) 1 calc R . P A 1
H20D H 0.562945 0.458593 0.526359 0.053 Uiso 0.483(10) 1 calc R . P A 1
C21 C 0.5021(8) 0.4537(6) 0.5570(3) 0.047(3) Uani 0.517(10) 1 d D U P A 2
H21A H 0.457165 0.485619 0.535113 0.057 Uiso 0.517(10) 1 calc R . P A 2
H21B H 0.444307 0.403336 0.562022 0.057 Uiso 0.517(10) 1 calc R . P A 2
C21A C 0.5638(9) 0.4129(6) 0.5826(3) 0.044(3) Uani 0.483(10) 1 d D U P A 1
H21C H 0.474752 0.382244 0.576431 0.053 Uiso 0.483(10) 1 calc R . P A 1
H21D H 0.626756 0.377254 0.599676 0.053 Uiso 0.483(10) 1 calc R . P A 1
C22A C 0.5406(14) 0.4973(12) 0.5994(4) 0.031(3) Uani 0.483(10) 1 d D U P A 1
H22A H 0.453429 0.523417 0.587723 0.037 Uiso 0.483(10) 1 calc R . P A 1
H22B H 0.534177 0.492514 0.627115 0.037 Uiso 0.483(10) 1 calc R . P A 1
C22 C 0.5241(11) 0.5081(11) 0.5906(5) 0.036(3) Uani 0.517(10) 1 d D U P A 2
H22C H 0.451174 0.552864 0.589894 0.043 Uiso 0.517(10) 1 calc R . P A 2
H22D H 0.517248 0.473563 0.613835 0.043 Uiso 0.517(10) 1 calc R . P A 2
C23 C 0.7859(4) 0.5030(2) 0.68258(10) 0.0245(7) Uani 1 1 d D . . . .
H23A H 0.881474 0.516878 0.693530 0.029 Uiso 1 1 calc R . . . .
H23B H 0.788780 0.490255 0.655238 0.029 Uiso 1 1 calc R . . . .
C24 C 0.7262(4) 0.4280(2) 0.70326(10) 0.0246(7) Uani 1 1 d D . . . .
H24A H 0.801594 0.389900 0.714051 0.030 Uiso 1 1 calc R . . . .
H24B H 0.660527 0.394609 0.685984 0.030 Uiso 1 1 calc R . . . .
C25 C 0.6498(4) 0.4703(2) 0.73492(10) 0.0228(7) Uani 1 1 d D . . . .
H25A H 0.550300 0.453168 0.733368 0.027 Uiso 1 1 calc R . . . .
H25B H 0.694400 0.455303 0.760311 0.027 Uiso 1 1 calc R . . . .
C26 C 0.6646(4) 0.5654(2) 0.72695(9) 0.0209(7) Uani 1 1 d . . . . .
H26A H 0.577389 0.596089 0.731385 0.025 Uiso 1 1 calc R . . . .
H26B H 0.742376 0.590229 0.743561 0.025 Uiso 1 1 calc R . . . .
C27 C 1.2112(3) 0.39127(18) 0.66195(8) 0.0121(6) Uani 1 1 d . . . . .
C28 C 1.3446(3) 0.3557(2) 0.66918(11) 0.0221(7) Uani 1 1 d . . . . .
H28 H 1.418(4) 0.363(2) 0.6518(11) 0.027 Uiso 1 1 d R . . . .
C29 C 1.3808(4) 0.3073(2) 0.70176(12) 0.0320(9) Uani 1 1 d . . . . .
H29 H 1.471(4) 0.287(3) 0.7032(12) 0.038 Uiso 1 1 d R . . . .
C30 C 1.2862(4) 0.2936(2) 0.72811(11) 0.0313(9) Uani 1 1 d . . . . .
H30 H 1.311(4) 0.258(3) 0.7499(12) 0.038 Uiso 1 1 d R . . . .
C31 C 1.1534(4) 0.3266(3) 0.72159(11) 0.0301(8) Uani 1 1 d . . . . .
H31 H 1.083(4) 0.318(3) 0.7399(12) 0.036 Uiso 1 1 d R . . . .
C32 C 1.1167(4) 0.3733(2) 0.68898(10) 0.0236(7) Uani 1 1 d . . . . .
H32 H 1.024(4) 0.393(2) 0.6837(11) 0.028 Uiso 1 1 d R . . . .
C33 C 1.0917(3) 0.35926(18) 0.58948(8) 0.0128(6) Uani 1 1 d . . . . .
C34 C 1.1680(3) 0.3153(2) 0.56365(9) 0.0186(6) Uani 1 1 d . . . . .
H34 H 1.252(4) 0.335(2) 0.5581(11) 0.022 Uiso 1 1 d R . . . .
C35 C 1.1201(4) 0.2414(2) 0.54536(10) 0.0248(8) Uani 1 1 d . . . . .
H35 H 1.172(4) 0.216(2) 0.5274(11) 0.030 Uiso 1 1 d R . . . .
C36 C 0.9911(4) 0.2081(2) 0.55178(10) 0.0260(8) Uani 1 1 d . . . . .
H36 H 0.958(4) 0.158(2) 0.5396(11) 0.031 Uiso 1 1 d R . . . .
C37 C 0.9120(4) 0.2483(2) 0.57717(10) 0.0251(8) Uani 1 1 d . . . . .
H37 H 0.820(4) 0.227(2) 0.5834(11) 0.030 Uiso 1 1 d R . . . .
C38 C 0.9617(3) 0.3227(2) 0.59583(10) 0.0184(6) Uani 1 1 d . . . . .
H38 H 0.907(4) 0.347(2) 0.6127(11) 0.022 Uiso 1 1 d R . . . .
C39 C 1.0418(3) 0.6648(2) 0.54125(10) 0.0191(7) Uani 1 1 d . . . . .
H39 H 1.011(4) 0.724(2) 0.5389(10) 0.023 Uiso 1 1 d R . . . .
C40 C 1.0838(4) 0.6104(2) 0.51413(10) 0.0220(7) Uani 1 1 d . . . . .
H40 H 1.091(4) 0.621(2) 0.4888(11) 0.026 Uiso 1 1 d R . . . .
C41 C 1.1229(3) 0.5361(2) 0.53386(9) 0.0198(6) Uani 1 1 d . . . . .
H41 H 1.154(4) 0.483(2) 0.5258(10) 0.024 Uiso 1 1 d R . . . .
C42 C 1.2385(4) 0.7135(2) 0.65936(10) 0.0207(7) Uani 1 1 d . . . . .
H42 H 1.215(4) 0.771(2) 0.6553(11) 0.025 Uiso 1 1 d R . . . .
C43 C 1.3538(3) 0.6764(2) 0.67857(9) 0.0207(7) Uani 1 1 d . . . . .
H43 H 1.419(4) 0.704(2) 0.6946(11) 0.025 Uiso 1 1 d R . . . .
C44 C 1.3416(3) 0.5898(2) 0.66985(9) 0.0191(7) Uani 1 1 d . . . . .
H44 H 1.399(4) 0.547(2) 0.6787(11) 0.023 Uiso 1 1 d R . . . .
C45 C 1.2525(3) 0.0187(2) 0.56485(10) 0.0267(8) Uani 1 1 d D U . . .
H45A H 1.347096 -0.001520 0.573899 0.032 Uiso 0.370(19) 1 calc R . P B 1
H45B H 1.261514 0.066271 0.546788 0.032 Uiso 0.370(19) 1 calc R . P B 1
H45C H 1.327738 -0.021675 0.573491 0.032 Uiso 0.630(19) 1 calc R . P B 2
H45D H 1.294563 0.068283 0.552723 0.032 Uiso 0.630(19) 1 calc R . P B 2
C46A C 1.1659(14) -0.0539(9) 0.5459(5) 0.043(4) Uani 0.370(19) 1 d D U P B 1
H46A H 1.106014 -0.033020 0.523683 0.051 Uiso 0.370(19) 1 calc R . P B 1
H46B H 1.226927 -0.099995 0.537681 0.051 Uiso 0.370(19) 1 calc R . P B 1
C47A C 1.0786(16) -0.0846(9) 0.5768(6) 0.047(4) Uani 0.370(19) 1 d D U P B 1
H47A H 1.130265 -0.126616 0.593586 0.056 Uiso 0.370(19) 1 calc R . P B 1
H47B H 0.989963 -0.110473 0.566051 0.056 Uiso 0.370(19) 1 calc R . P B 1
C48A C 1.0525(15) -0.0022(10) 0.5981(7) 0.052(5) Uani 0.370(19) 1 d D U P B 1
H48A H 0.971060 0.028935 0.585800 0.062 Uiso 0.370(19) 1 calc R . P B 1
H48B H 1.035753 -0.014009 0.624823 0.062 Uiso 0.370(19) 1 calc R . P B 1
C49 C 1.3367(4) 0.0004(2) 0.68941(11) 0.0284(8) Uani 1 1 d . . . . .
H49A H 1.371793 0.002454 0.663907 0.034 Uiso 1 1 calc R . . . .
H49B H 1.304318 -0.058201 0.694251 0.034 Uiso 1 1 calc R . . . .
C50 C 1.4507(4) 0.0281(3) 0.72004(11) 0.0341(9) Uani 1 1 d D . . . .
H50A H 1.505248 -0.021606 0.730256 0.041 Uiso 1 1 calc R . . . .
H50B H 1.515023 0.069849 0.709811 0.041 Uiso 1 1 calc R . . . .
C51 C 1.3685(4) 0.0686(3) 0.75053(10) 0.0325(9) Uani 1 1 d D . . . .
H51A H 1.402442 0.127048 0.756632 0.039 Uiso 1 1 calc R . . . .
H51B H 1.376155 0.033974 0.774024 0.039 Uiso 1 1 calc R . . . .
C52 C 1.2176(4) 0.0702(2) 0.73246(10) 0.0287(8) Uani 1 1 d D . . . .
H52A H 1.163151 0.022735 0.742363 0.034 Uiso 1 1 calc R . . . .
H52B H 1.171790 0.124709 0.738137 0.034 Uiso 1 1 calc R . . . .
B1 B 0.5443(4) 1.1607(2) 0.62168(12) 0.0221(8) Uani 1 1 d . . . . .
B2 B 1.0241(4) 0.6584(2) 0.61471(11) 0.0190(7) Uani 1 1 d . . . . .
C46 C 1.1458(8) -0.0241(8) 0.5375(2) 0.046(3) Uani 0.630(19) 1 d D U P B 2
H46C H 1.188108 -0.071878 0.524211 0.055 Uiso 0.630(19) 1 calc R . P B 2
H46D H 1.104692 0.016998 0.518422 0.055 Uiso 0.630(19) 1 calc R . P B 2
C47 C 1.0366(10) -0.0562(7) 0.5625(3) 0.048(3) Uani 0.630(19) 1 d D U P B 2
H47C H 1.032850 -0.119293 0.562352 0.057 Uiso 0.630(19) 1 calc R . P B 2
H47D H 0.943075 -0.033621 0.553835 0.057 Uiso 0.630(19) 1 calc R . P B 2
C48 C 1.0845(9) -0.0227(6) 0.6022(3) 0.033(2) Uani 0.630(19) 1 d D U P B 2
H48C H 1.003885 -0.001873 0.615267 0.040 Uiso 0.630(19) 1 calc R . P B 2
H48D H 1.132518 -0.068081 0.617840 0.040 Uiso 0.630(19) 1 calc R . P B 2
H2A H 0.947(3) 0.619(2) 0.6272(9) 0.009(8) Uiso 1 1 d . . . . .
H1A H 0.458(3) 1.124(2) 0.6331(9) 0.013(8) Uiso 1 1 d . . . . .
H2B H 0.987(3) 0.726(2) 0.6131(9) 0.014(8) Uiso 1 1 d . . . . .
H1B H 0.515(4) 1.233(3) 0.6203(12) 0.048(13) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 N2 2.096(2) . ?
Pt1 N4 2.105(2) . ?
Pt1 C1 2.000(3) . ?
Pt1 C7 2.005(3) . ?
Pt2 N6 2.096(2) . ?
Pt2 N8 2.107(2) . ?
Pt2 C27 1.993(3) . ?
Pt2 C33 2.003(3) . ?
K1 O1 2.691(2) . ?
K1 O2 2.677(2) . ?
K1 C1 3.196(3) . ?
K1 C2 3.264(3) . ?
K1 C5 3.354(3) . ?
K1 C6 3.198(3) . ?
K1 C7 3.185(3) . ?
K1 C8 3.195(3) . ?
K1 C9 3.304(3) . ?
K1 C11 3.374(3) . ?
K1 C12 3.249(3) . ?
K1 B2 3.344(4) . ?
K1 H2A 2.71(3) . ?
K1 H2B 3.03(3) . ?
K2 O3 2.773(2) . ?
K2 O4 2.661(3) . ?
K2 C27 3.319(3) . ?
K2 C28 3.203(4) . ?
K2 C29 3.388(4) . ?
K2 C33 3.276(3) . ?
K2 C34 3.288(3) . ?
K2 C35 3.375(4) . ?
K2 C36 3.442(3) . ?
K2 C37 3.386(3) . ?
K2 C38 3.288(3) . ?
O1 C23 1.422(4) . ?
O1 C26 1.427(4) . ?
O2 C19 1.425(4) . ?
O2 C22A 1.422(7) . ?
O2 C22 1.427(6) . ?
O3 C49 1.437(4) . ?
O3 C52 1.437(4) . ?
O4 C45 1.420(4) . ?
O4 C48A 1.430(7) . ?
O4 C48 1.431(6) . ?
N1 N2 1.363(3) . ?
N1 C13 1.341(4) . ?
N1 B1 1.545(5) . ?
N2 C15 1.334(4) . ?
N3 N4 1.359(3) . ?
N3 C16 1.350(4) . ?
N3 B1 1.558(5) . ?
N4 C18 1.336(4) . ?
N5 N6 1.361(3) . ?
N5 C39 1.340(4) . ?
N5 B2 1.547(5) . ?
N6 C41 1.335(4) . ?
N7 N8 1.365(3) . ?
N7 C42 1.345(4) . ?
N7 B2 1.550(4) . ?
N8 C44 1.327(4) . ?
C1 C2 1.408(4) . ?
C1 C6 1.409(4) . ?
C2 H2 0.92(4) . ?
C2 C3 1.398(4) . ?
C3 H3 0.94(4) . ?
C3 C4 1.373(5) . ?
C4 H4 0.96(4) . ?
C4 C5 1.385(5) . ?
C5 H5 0.99(4) . ?
C5 C6 1.392(4) . ?
C6 H6 0.97(3) . ?
C7 C8 1.405(4) . ?
C7 C12 1.408(4) . ?
C8 H8 0.96(4) . ?
C8 C9 1.394(4) . ?
C9 H9 0.92(4) . ?
C9 C10 1.382(5) . ?
C10 H10 0.91(4) . ?
C10 C11 1.381(5) . ?
C11 H11 0.92(4) . ?
C11 C12 1.395(4) . ?
C12 H12 0.88(4) . ?
C13 H13 0.93(4) . ?
C13 C14 1.369(5) . ?
C14 H14 0.89(4) . ?
C14 C15 1.390(4) . ?
C15 H15 0.90(4) . ?
C16 H16 0.91(4) . ?
C16 C17 1.374(5) . ?
C17 H17 0.89(4) . ?
C17 C18 1.384(5) . ?
C18 H18 0.89(4) . ?
C19 H19C 0.9900 . ?
C19 H19D 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.524(7) . ?
C19 C20A 1.522(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.537(9) . ?
C20A H20C 0.9900 . ?
C20A H20D 0.9900 . ?
C20A C21A 1.539(10) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.46(2) . ?
C21A H21C 0.9900 . ?
C21A H21D 0.9900 . ?
C21A C22A 1.48(2) . ?
C22A H22A 0.9900 . ?
C22A H22B 0.9900 . ?
C22 H22C 0.9900 . ?
C22 H22D 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.523(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.540(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.526(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.401(4) . ?
C27 C32 1.402(5) . ?
C28 H28 0.98(4) . ?
C28 C29 1.398(5) . ?
C29 H29 0.92(4) . ?
C29 C30 1.373(6) . ?
C30 H30 0.97(4) . ?
C30 C31 1.378(6) . ?
C31 H31 0.98(4) . ?
C31 C32 1.386(5) . ?
C32 H32 0.95(4) . ?
C33 C34 1.400(4) . ?
C33 C38 1.410(4) . ?
C34 H34 0.90(4) . ?
C34 C35 1.386(5) . ?
C35 H35 0.93(4) . ?
C35 C36 1.381(5) . ?
C36 H36 0.94(4) . ?
C36 C37 1.377(5) . ?
C37 H37 0.98(4) . ?
C37 C38 1.403(4) . ?
C38 H38 0.91(4) . ?
C39 H39 0.97(4) . ?
C39 C40 1.369(5) . ?
C40 H40 0.92(4) . ?
C40 C41 1.392(5) . ?
C41 H41 0.94(4) . ?
C42 H42 0.93(4) . ?
C42 C43 1.378(5) . ?
C43 H43 0.92(4) . ?
C43 C44 1.395(5) . ?
C44 H44 0.91(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 H45C 0.9900 . ?
C45 H45D 0.9900 . ?
C45 C46A 1.530(8) . ?
C45 C46 1.506(6) . ?
C46A H46A 0.9900 . ?
C46A H46B 0.9900 . ?
C46A C47A 1.512(9) . ?
C47A H47A 0.9900 . ?
C47A H47B 0.9900 . ?
C47A C48A 1.527(8) . ?
C48A H48A 0.9900 . ?
C48A H48B 0.9900 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.536(5) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C50 C51 1.528(5) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 C52 1.534(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
B1 H1A 1.11(3) . ?
B1 H1B 1.16(4) . ?
B2 H2A 1.08(3) . ?
B2 H2B 1.12(3) . ?
C46 H46C 0.9900 . ?
C46 H46D 0.9900 . ?
C46 C47 1.515(8) . ?
C47 H47C 0.9900 . ?
C47 H47D 0.9900 . ?
C47 C48 1.532(7) . ?
C48 H48C 0.9900 . ?
C48 H48D 0.9900 . ?

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
N2 Pt1 N4 87.47(10) . . ?
C1 Pt1 N2 178.24(11) . . ?
C1 Pt1 N4 92.45(11) . . ?
C1 Pt1 C7 87.32(11) . . ?
C7 Pt1 N2 92.73(10) . . ?
C7 Pt1 N4 178.94(11) . . ?
N6 Pt2 N8 86.81(10) . . ?
C27 Pt2 N6 178.40(10) . . ?
C27 Pt2 N8 91.71(11) . . ?
C27 Pt2 C33 87.52(11) . . ?
C33 Pt2 N6 93.96(10) . . ?
C33 Pt2 N8 179.12(11) . . ?
O1 K1 C1 115.09(8) . . ?
O1 K1 C2 107.54(8) . . ?
O1 K1 C5 71.98(8) . . ?
O1 K1 C6 95.14(8) . . ?
O1 K1 C7 155.79(8) . . ?
O1 K1 C8 175.71(8) . . ?
O1 K1 C9 151.14(8) . . ?
O1 K1 C11 127.34(8) . . ?
O1 K1 C12 135.60(8) . . ?
O1 K1 B2 95.50(8) . . ?
O1 K1 H2A 80.1(7) . . ?
O1 K1 H2B 110.7(6) . . ?
O2 K1 O1 79.27(7) . . ?
O2 K1 C1 165.63(8) . . ?
O2 K1 C2 154.02(8) . . ?
O2 K1 C5 150.00(8) . . ?
O2 K1 C6 162.82(8) . . ?
O2 K1 C7 115.34(8) . . ?
O2 K1 C8 96.93(8) . . ?
O2 K1 C9 72.82(8) . . ?
O2 K1 C11 81.84(8) . . ?
O2 K1 C12 105.73(8) . . ?
O2 K1 B2 81.05(8) . . ?
O2 K1 H2A 71.7(7) . . ?
O2 K1 H2B 96.0(6) . . ?
C1 K1 C2 25.15(8) . . ?
C1 K1 C5 43.95(8) . . ?
C1 K1 C6 25.46(8) . . ?
C1 K1 C9 92.94(8) . . ?
C1 K1 C11 88.77(8) . . ?
C1 K1 C12 64.56(7) . . ?
C1 K1 B2 96.78(9) . . ?
C1 K1 H2A 109.3(7) . . ?
C1 K1 H2B 79.3(6) . . ?
C2 K1 C5 49.20(8) . . ?
C2 K1 C9 100.82(8) . . ?
C2 K1 C11 110.64(8) . . ?
C2 K1 B2 73.43(9) . . ?
C2 K1 H2A 84.5(7) . . ?
C2 K1 H2B 58.1(6) . . ?
C5 K1 C11 108.88(9) . . ?
C5 K1 H2A 110.6(7) . . ?
C5 K1 H2B 102.0(6) . . ?
C6 K1 C2 43.15(8) . . ?
C6 K1 C5 24.38(8) . . ?
C6 K1 C9 109.42(8) . . ?
C6 K1 C11 88.97(8) . . ?
C6 K1 C12 66.97(8) . . ?
C6 K1 B2 115.83(9) . . ?
C6 K1 H2A 123.6(7) . . ?
C6 K1 H2B 101.2(6) . . ?
C7 K1 C1 51.36(7) . . ?
C7 K1 C2 68.33(8) . . ?
C7 K1 C5 89.42(8) . . ?
C7 K1 C6 65.08(8) . . ?
C7 K1 C8 25.44(8) . . ?
C7 K1 C9 44.35(8) . . ?
C7 K1 C11 43.81(8) . . ?
C7 K1 C12 25.26(7) . . ?
C7 K1 B2 105.51(9) . . ?
C7 K1 H2A 121.9(7) . . ?
C7 K1 H2B 87.8(6) . . ?
C8 K1 C1 68.72(8) . . ?
C8 K1 C2 76.75(8) . . ?
C8 K1 C5 111.45(8) . . ?
C8 K1 C6 87.94(8) . . ?
C8 K1 C9 24.69(8) . . ?
C8 K1 C11 49.59(8) . . ?
C8 K1 C12 43.35(8) . . ?
C8 K1 B2 85.81(9) . . ?
C8 K1 H2A 100.7(7) . . ?
C8 K1 H2B 71.5(6) . . ?
C9 K1 C5 133.77(8) . . ?
C9 K1 C11 41.83(9) . . ?
C9 K1 B2 87.41(9) . . ?
C9 K1 H2A 97.7(7) . . ?
C9 K1 H2B 79.8(6) . . ?
C11 K1 H2A 137.6(7) . . ?
C11 K1 H2B 119.8(6) . . ?
C12 K1 C2 87.09(8) . . ?
C12 K1 C5 89.45(8) . . ?
C12 K1 C9 49.84(8) . . ?
C12 K1 C11 24.22(8) . . ?
C12 K1 B2 128.88(9) . . ?
C12 K1 H2A 144.0(7) . . ?
C12 K1 H2B 112.4(6) . . ?
B2 K1 C5 109.65(9) . . ?
B2 K1 C11 129.23(9) . . ?
B2 K1 H2A 16.8(7) . . ?
B2 K1 H2B 19.5(6) . . ?
H2A K1 H2B 36.0(9) . . ?
O3 K2 C27 120.20(7) . . ?
O3 K2 C28 108.15(8) . . ?
O3 K2 C29 83.86(8) . . ?
O3 K2 C33 164.84(8) . . ?
O3 K2 C34 170.51(8) . . ?
O3 K2 C35 149.12(8) . . ?
O3 K2 C36 135.68(8) . . ?
O3 K2 C37 134.00(8) . . ?
O3 K2 C38 145.02(8) . . ?
O4 K2 O3 77.76(8) . . ?
O4 K2 C27 161.22(8) . . ?
O4 K2 C28 150.78(9) . . ?
O4 K2 C29 145.47(9) . . ?
O4 K2 C33 113.99(8) . . ?
O4 K2 C34 94.22(8) . . ?
O4 K2 C35 71.46(8) . . ?
O4 K2 C36 66.70(8) . . ?
O4 K2 C37 84.44(9) . . ?
O4 K2 C38 107.70(8) . . ?
C27 K2 C29 42.75(8) . . ?
C27 K2 C35 90.67(8) . . ?
C27 K2 C36 99.14(8) . . ?
C27 K2 C37 85.73(8) . . ?
C28 K2 C27 24.72(7) . . ?
C28 K2 C29 24.29(8) . . ?
C28 K2 C33 66.68(8) . . ?
C28 K2 C34 76.43(9) . . ?
C28 K2 C35 100.06(9) . . ?
C28 K2 C36 115.85(9) . . ?
C28 K2 C37 107.90(8) . . ?
C28 K2 C38 84.10(8) . . ?
C29 K2 C36 139.95(9) . . ?
C33 K2 C27 49.54(7) . . ?
C33 K2 C29 90.14(8) . . ?
C33 K2 C34 24.63(8) . . ?
C33 K2 C35 43.16(8) . . ?
C33 K2 C36 50.08(8) . . ?
C33 K2 C37 43.36(8) . . ?
C33 K2 C38 24.80(7) . . ?
C34 K2 C27 67.37(8) . . ?
C34 K2 C29 100.50(9) . . ?
C34 K2 C35 23.97(8) . . ?
C34 K2 C36 41.74(8) . . ?
C34 K2 C37 48.72(9) . . ?
C34 K2 C38 42.27(8) . . ?
C35 K2 C29 123.74(9) . . ?
C35 K2 C36 23.36(9) . . ?
C35 K2 C37 41.20(10) . . ?
C37 K2 C29 128.32(9) . . ?
C37 K2 C36 23.26(9) . . ?
C38 K2 C27 61.51(7) . . ?
C38 K2 C29 104.15(9) . . ?
C38 K2 C35 48.82(9) . . ?
C38 K2 C36 41.89(9) . . ?
C38 K2 C37 24.22(8) . . ?
C23 O1 K1 112.46(18) . . ?
C23 O1 C26 104.8(2) . . ?
C26 O1 K1 139.11(19) . . ?
C19 O2 K1 134.64(19) . . ?
C19 O2 C22 107.3(8) . . ?
C22A O2 K1 114.1(9) . . ?
C22A O2 C19 111.2(9) . . ?
C22 O2 K1 115.6(8) . . ?
C49 O3 K2 118.6(2) . . ?
C49 O3 C52 103.9(3) . . ?
C52 O3 K2 127.2(2) . . ?
C45 O4 K2 132.9(2) . . ?
C45 O4 C48A 111.7(7) . . ?
C45 O4 C48 105.4(5) . . ?
C48A O4 K2 113.0(6) . . ?
C48 O4 K2 121.7(5) . . ?
N2 N1 B1 121.0(3) . . ?
C13 N1 N2 108.9(3) . . ?
C13 N1 B1 130.0(3) . . ?
N1 N2 Pt1 122.6(2) . . ?
C15 N2 Pt1 130.7(2) . . ?
C15 N2 N1 106.5(3) . . ?
N4 N3 B1 121.7(3) . . ?
C16 N3 N4 108.8(3) . . ?
C16 N3 B1 129.5(3) . . ?
N3 N4 Pt1 121.66(18) . . ?
C18 N4 Pt1 130.7(2) . . ?
C18 N4 N3 107.1(2) . . ?
N6 N5 B2 120.5(3) . . ?
C39 N5 N6 109.4(3) . . ?
C39 N5 B2 130.1(3) . . ?
N5 N6 Pt2 122.0(2) . . ?
C41 N6 Pt2 131.2(2) . . ?
C41 N6 N5 106.5(3) . . ?
N8 N7 B2 120.4(2) . . ?
C42 N7 N8 109.0(2) . . ?
C42 N7 B2 130.6(3) . . ?
N7 N8 Pt2 121.45(18) . . ?
C44 N8 Pt2 130.7(2) . . ?
C44 N8 N7 107.2(2) . . ?
Pt1 C1 K1 110.14(11) . . ?
C2 C1 Pt1 121.5(2) . . ?
C2 C1 K1 80.14(18) . . ?
C2 C1 C6 115.1(3) . . ?
C6 C1 Pt1 123.4(2) . . ?
C6 C1 K1 77.36(17) . . ?
K1 C2 H2 113(2) . . ?
C1 C2 K1 74.71(17) . . ?
C1 C2 H2 115(2) . . ?
C3 C2 K1 83.62(19) . . ?
C3 C2 C1 122.4(3) . . ?
C3 C2 H2 123(2) . . ?
K1 C3 H3 112(2) . . ?
C2 C3 K1 72.30(18) . . ?
C2 C3 H3 117(2) . . ?
C4 C3 K1 80.85(19) . . ?
C4 C3 C2 120.6(3) . . ?
C4 C3 H3 122(2) . . ?
K1 C4 H4 119(2) . . ?
C3 C4 K1 76.11(19) . . ?
C3 C4 H4 122(2) . . ?
C3 C4 C5 119.0(3) . . ?
C5 C4 K1 73.91(19) . . ?
C5 C4 H4 119(2) . . ?
K1 C5 H5 122(2) . . ?
C4 C5 K1 82.7(2) . . ?
C4 C5 H5 121(2) . . ?
C4 C5 C6 120.4(3) . . ?
C6 C5 K1 71.51(18) . . ?
C6 C5 H5 119(2) . . ?
K1 C6 H6 112(2) . . ?
C1 C6 K1 77.18(18) . . ?
C1 C6 H6 118(2) . . ?
C5 C6 K1 84.11(19) . . ?
C5 C6 C1 122.5(3) . . ?
C5 C6 H6 120(2) . . ?
Pt1 C7 K1 110.41(10) . . ?
C8 C7 Pt1 122.8(2) . . ?
C8 C7 K1 77.69(17) . . ?
C8 C7 C12 115.6(3) . . ?
C12 C7 Pt1 121.6(2) . . ?
C12 C7 K1 79.91(17) . . ?
K1 C8 H8 110(2) . . ?
C7 C8 K1 76.87(17) . . ?
C7 C8 H8 119(2) . . ?
C9 C8 K1 82.01(19) . . ?
C9 C8 C7 122.4(3) . . ?
C9 C8 H8 118(2) . . ?
K1 C9 H9 116(2) . . ?
C8 C9 K1 73.29(18) . . ?
C8 C9 H9 118(2) . . ?
C10 C9 K1 82.4(2) . . ?
C10 C9 C8 120.2(3) . . ?
C10 C9 H9 122(2) . . ?
K1 C10 H10 116(2) . . ?
C9 C10 K1 73.91(19) . . ?
C9 C10 H10 117(2) . . ?
C9 C10 C11 119.3(3) . . ?
C11 C10 K1 76.88(18) . . ?
C11 C10 H10 124(3) . . ?
K1 C11 H11 118(2) . . ?
C10 C11 K1 79.62(19) . . ?
C10 C11 H11 119(2) . . ?
C10 C11 C12 120.3(3) . . ?
C12 C11 K1 72.84(17) . . ?
C12 C11 H11 121(2) . . ?
K1 C12 H12 116(2) . . ?
C7 C12 K1 74.83(16) . . ?
C7 C12 H12 124(2) . . ?
C11 C12 K1 82.94(19) . . ?
C11 C12 C7 122.2(3) . . ?
C11 C12 H12 114(2) . . ?
N1 C13 H13 120(2) . . ?
N1 C13 C14 109.6(3) . . ?
C14 C13 H13 130(2) . . ?
C13 C14 H14 129(2) . . ?
C13 C14 C15 104.2(3) . . ?
C15 C14 H14 127(2) . . ?
N2 C15 C14 110.7(3) . . ?
N2 C15 H15 121(2) . . ?
C14 C15 H15 128(2) . . ?
N3 C16 H16 117(2) . . ?
N3 C16 C17 108.9(3) . . ?
C17 C16 H16 134(2) . . ?
C16 C17 H17 121(2) . . ?
C16 C17 C18 104.8(3) . . ?
C18 C17 H17 134(2) . . ?
N4 C18 C17 110.4(3) . . ?
N4 C18 H18 118(2) . . ?
C17 C18 H18 131(2) . . ?
O2 C19 H19C 110.3 . . ?
O2 C19 H19D 110.3 . . ?
O2 C19 H19A 110.9 . . ?
O2 C19 H19B 110.9 . . ?
O2 C19 C20 106.9(5) . . ?
O2 C19 C20A 104.3(5) . . ?
H19C C19 H19D 108.6 . . ?
H19A C19 H19B 108.9 . . ?
C20 C19 H19C 110.3 . . ?
C20 C19 H19D 110.3 . . ?
C20A C19 H19A 110.9 . . ?
C20A C19 H19B 110.9 . . ?
C19 C20 H20A 111.8 . . ?
C19 C20 H20B 111.8 . . ?
C19 C20 C21 99.9(7) . . ?
H20A C20 H20B 109.5 . . ?
C21 C20 H20A 111.8 . . ?
C21 C20 H20B 111.8 . . ?
C19 C20A H20C 111.6 . . ?
C19 C20A H20D 111.6 . . ?
C19 C20A C21A 101.1(7) . . ?
H20C C20A H20D 109.4 . . ?
C21A C20A H20C 111.6 . . ?
C21A C20A H20D 111.6 . . ?
C20 C21 H21A 111.3 . . ?
C20 C21 H21B 111.3 . . ?
H21A C21 H21B 109.2 . . ?
C22 C21 C20 102.2(8) . . ?
C22 C21 H21A 111.3 . . ?
C22 C21 H21B 111.3 . . ?
C20A C21A H21C 111.5 . . ?
C20A C21A H21D 111.5 . . ?
H21C C21A H21D 109.4 . . ?
C22A C21A C20A 101.2(9) . . ?
C22A C21A H21C 111.5 . . ?
C22A C21A H21D 111.5 . . ?
O2 C22A C21A 105.0(12) . . ?
O2 C22A H22A 110.8 . . ?
O2 C22A H22B 110.8 . . ?
C21A C22A H22A 110.8 . . ?
C21A C22A H22B 110.8 . . ?
H22A C22A H22B 108.8 . . ?
O2 C22 C21 109.4(11) . . ?
O2 C22 H22C 109.8 . . ?
O2 C22 H22D 109.8 . . ?
C21 C22 H22C 109.8 . . ?
C21 C22 H22D 109.8 . . ?
H22C C22 H22D 108.2 . . ?
O1 C23 H23A 110.9 . . ?
O1 C23 H23B 110.9 . . ?
O1 C23 C24 104.4(3) . . ?
H23A C23 H23B 108.9 . . ?
C24 C23 H23A 110.9 . . ?
C24 C23 H23B 110.9 . . ?
C23 C24 H24A 111.0 . . ?
C23 C24 H24B 111.0 . . ?
C23 C24 C25 103.8(3) . . ?
H24A C24 H24B 109.0 . . ?
C25 C24 H24A 111.0 . . ?
C25 C24 H24B 111.0 . . ?
C24 C25 H25A 111.1 . . ?
C24 C25 H25B 111.1 . . ?
H25A C25 H25B 109.1 . . ?
C26 C25 C24 103.2(3) . . ?
C26 C25 H25A 111.1 . . ?
C26 C25 H25B 111.1 . . ?
O1 C26 C25 105.7(3) . . ?
O1 C26 H26A 110.6 . . ?
O1 C26 H26B 110.6 . . ?
C25 C26 H26A 110.6 . . ?
C25 C26 H26B 110.6 . . ?
H26A C26 H26B 108.7 . . ?
Pt2 C27 K2 110.20(11) . . ?
C28 C27 Pt2 123.1(2) . . ?
C28 C27 K2 72.98(19) . . ?
C28 C27 C32 115.5(3) . . ?
C32 C27 Pt2 121.4(2) . . ?
C32 C27 K2 87.0(2) . . ?
K2 C28 H28 103(2) . . ?
C27 C28 K2 82.29(19) . . ?
C27 C28 H28 122(2) . . ?
C29 C28 K2 85.3(2) . . ?
C29 C28 C27 121.7(3) . . ?
C29 C28 H28 116(2) . . ?
K2 C29 H29 108(3) . . ?
C28 C29 K2 70.4(2) . . ?
C28 C29 H29 114(3) . . ?
C30 C29 K2 90.6(2) . . ?
C30 C29 C28 120.8(3) . . ?
C30 C29 H29 125(3) . . ?
C29 C30 H30 120(2) . . ?
C29 C30 C31 119.0(3) . . ?
C31 C30 H30 121(3) . . ?
C30 C31 H31 121(2) . . ?
C30 C31 C32 120.3(4) . . ?
C32 C31 H31 119(2) . . ?
C27 C32 H32 117(2) . . ?
C31 C32 C27 122.7(3) . . ?
C31 C32 H32 120(2) . . ?
Pt2 C33 K2 111.49(11) . . ?
C34 C33 Pt2 124.4(2) . . ?
C34 C33 K2 78.16(18) . . ?
C34 C33 C38 115.1(3) . . ?
C38 C33 Pt2 120.5(2) . . ?
C38 C33 K2 78.07(17) . . ?
K2 C34 H34 113(2) . . ?
C33 C34 K2 77.21(18) . . ?
C33 C34 H34 120(2) . . ?
C35 C34 K2 81.5(2) . . ?
C35 C34 C33 122.9(3) . . ?
C35 C34 H34 117(2) . . ?
K2 C35 H35 119(2) . . ?
C34 C35 K2 74.5(2) . . ?
C34 C35 H35 120(2) . . ?
C36 C35 K2 81.1(2) . . ?
C36 C35 C34 120.4(4) . . ?
C36 C35 H35 120(2) . . ?
K2 C36 H36 118(2) . . ?
C35 C36 K2 75.6(2) . . ?
C35 C36 H36 121(2) . . ?
C37 C36 K2 76.1(2) . . ?
C37 C36 C35 119.1(3) . . ?
C37 C36 H36 120(2) . . ?
K2 C37 H37 115(2) . . ?
C36 C37 K2 80.7(2) . . ?
C36 C37 H37 123(2) . . ?
C36 C37 C38 120.1(3) . . ?
C38 C37 K2 73.97(19) . . ?
C38 C37 H37 117(2) . . ?
K2 C38 H38 112(2) . . ?
C33 C38 K2 77.13(17) . . ?
C33 C38 H38 120(2) . . ?
C37 C38 K2 81.8(2) . . ?
C37 C38 C33 122.3(3) . . ?
C37 C38 H38 117(2) . . ?
N5 C39 H39 121(2) . . ?
N5 C39 C40 109.1(3) . . ?
C40 C39 H39 130(2) . . ?
C39 C40 H40 128(2) . . ?
C39 C40 C41 104.6(3) . . ?
C41 C40 H40 127(2) . . ?
N6 C41 C40 110.4(3) . . ?
N6 C41 H41 118(2) . . ?
C40 C41 H41 132(2) . . ?
N7 C42 H42 120(2) . . ?
N7 C42 C43 108.9(3) . . ?
C43 C42 H42 131(2) . . ?
C42 C43 H43 126(2) . . ?
C42 C43 C44 104.6(3) . . ?
C44 C43 H43 130(2) . . ?
N8 C44 C43 110.3(3) . . ?
N8 C44 H44 122(2) . . ?
C43 C44 H44 128(2) . . ?
O4 C45 H45A 110.6 . . ?
O4 C45 H45B 110.6 . . ?
O4 C45 H45C 110.6 . . ?
O4 C45 H45D 110.6 . . ?
O4 C45 C46A 105.6(6) . . ?
O4 C45 C46 105.6(4) . . ?
H45A C45 H45B 108.8 . . ?
H45C C45 H45D 108.7 . . ?
C46A C45 H45A 110.6 . . ?
C46A C45 H45B 110.6 . . ?
C46 C45 H45C 110.6 . . ?
C46 C45 H45D 110.6 . . ?
C45 C46A H46A 111.0 . . ?
C45 C46A H46B 111.0 . . ?
H46A C46A H46B 109.0 . . ?
C47A C46A C45 103.6(9) . . ?
C47A C46A H46A 111.0 . . ?
C47A C46A H46B 111.0 . . ?
C46A C47A H47A 111.3 . . ?
C46A C47A H47B 111.3 . . ?
C46A C47A C48A 102.2(13) . . ?
H47A C47A H47B 109.2 . . ?
C48A C47A H47A 111.3 . . ?
C48A C47A H47B 111.3 . . ?
O4 C48A C47A 103.9(9) . . ?
O4 C48A H48A 111.0 . . ?
O4 C48A H48B 111.0 . . ?
C47A C48A H48A 111.0 . . ?
C47A C48A H48B 111.0 . . ?
H48A C48A H48B 109.0 . . ?
O3 C49 H49A 110.8 . . ?
O3 C49 H49B 110.8 . . ?
O3 C49 C50 104.6(3) . . ?
H49A C49 H49B 108.9 . . ?
C50 C49 H49A 110.8 . . ?
C50 C49 H49B 110.8 . . ?
C49 C50 H50A 111.0 . . ?
C49 C50 H50B 111.0 . . ?
H50A C50 H50B 109.0 . . ?
C51 C50 C49 103.6(3) . . ?
C51 C50 H50A 111.0 . . ?
C51 C50 H50B 111.0 . . ?
C50 C51 H51A 111.0 . . ?
C50 C51 H51B 111.0 . . ?
C50 C51 C52 103.8(3) . . ?
H51A C51 H51B 109.0 . . ?
C52 C51 H51A 111.0 . . ?
C52 C51 H51B 111.0 . . ?
O3 C52 C51 106.3(3) . . ?
O3 C52 H52A 110.5 . . ?
O3 C52 H52B 110.5 . . ?
C51 C52 H52A 110.5 . . ?
C51 C52 H52B 110.5 . . ?
H52A C52 H52B 108.7 . . ?
N1 B1 N3 107.7(3) . . ?
N1 B1 H1A 109.1(17) . . ?
N1 B1 H1B 109(2) . . ?
N3 B1 H1A 110.7(17) . . ?
N3 B1 H1B 111(2) . . ?
H1A B1 H1B 110(3) . . ?
K1 B2 H2A 46.3(16) . . ?
K1 B2 H2B 64.5(17) . . ?
N5 B2 K1 118.94(19) . . ?
N5 B2 N7 106.9(3) . . ?
N5 B2 H2A 111.9(17) . . ?
N5 B2 H2B 110.7(17) . . ?
N7 B2 K1 133.0(2) . . ?
N7 B2 H2A 107.9(16) . . ?
N7 B2 H2B 109.8(17) . . ?
H2A B2 H2B 110(2) . . ?
C45 C46 H46C 111.0 . . ?
C45 C46 H46D 111.0 . . ?
C45 C46 C47 103.9(6) . . ?
H46C C46 H46D 109.0 . . ?
C47 C46 H46C 111.0 . . ?
C47 C46 H46D 111.0 . . ?
C46 C47 H47C 110.8 . . ?
C46 C47 H47D 110.8 . . ?
C46 C47 C48 104.7(6) . . ?
H47C C47 H47D 108.9 . . ?
C48 C47 H47C 110.8 . . ?
C48 C47 H47D 110.8 . . ?
O4 C48 C47 104.8(6) . . ?
O4 C48 H48C 110.8 . . ?
O4 C48 H48D 110.8 . . ?
C47 C48 H48C 110.8 . . ?
C47 C48 H48D 110.8 . . ?
H48C C48 H48D 108.9 . . ?

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
Pt1 N2 C15 C14 -175.4(2) . . . . ?
Pt1 N4 C18 C17 170.8(2) . . . . ?
Pt1 C1 C2 K1 -107.7(2) . . . . ?
Pt1 C1 C2 C3 -179.6(2) . . . . ?
Pt1 C1 C6 K1 106.0(2) . . . . ?
Pt1 C1 C6 C5 -179.7(2) . . . . ?
Pt1 C7 C8 K1 106.50(19) . . . . ?
Pt1 C7 C8 C9 178.0(2) . . . . ?
Pt1 C7 C12 K1 -107.84(19) . . . . ?
Pt1 C7 C12 C11 -179.1(2) . . . . ?
Pt2 N6 C41 C40 -174.2(2) . . . . ?
Pt2 N8 C44 C43 170.6(2) . . . . ?
Pt2 C27 C28 K2 -103.4(2) . . . . ?
Pt2 C27 C28 C29 177.0(3) . . . . ?
Pt2 C27 C32 C31 -175.9(3) . . . . ?
Pt2 C33 C34 K2 108.1(2) . . . . ?
Pt2 C33 C34 C35 179.0(2) . . . . ?
Pt2 C33 C38 K2 -108.07(18) . . . . ?
Pt2 C33 C38 C37 -179.6(2) . . . . ?
K1 O1 C23 C24 -154.4(2) . . . . ?
K1 O1 C26 C25 164.5(2) . . . . ?
K1 O2 C19 C20 -178.5(8) . . . . ?
K1 O2 C19 C20A -168.2(8) . . . . ?
K1 O2 C22A C21A -164.3(7) . . . . ?
K1 O2 C22 C21 158.1(8) . . . . ?
K1 C1 C2 C3 -72.0(3) . . . . ?
K1 C1 C6 C5 74.4(3) . . . . ?
K1 C2 C3 C4 -67.5(3) . . . . ?
K1 C3 C4 C5 -62.4(3) . . . . ?
K1 C4 C5 C6 -63.5(3) . . . . ?
K1 C5 C6 C1 -70.7(3) . . . . ?
K1 C7 C8 C9 71.5(3) . . . . ?
K1 C7 C12 C11 -71.3(3) . . . . ?
K1 C8 C9 C10 70.4(3) . . . . ?
K1 C9 C10 C11 64.3(3) . . . . ?
K1 C10 C11 C12 63.0(3) . . . . ?
K1 C11 C12 C7 67.1(3) . . . . ?
K2 O3 C49 C50 104.8(3) . . . . ?
K2 O3 C52 C51 -105.2(3) . . . . ?
K2 O4 C45 C46A -161.6(7) . . . . ?
K2 O4 C45 C46 -138.8(6) . . . . ?
K2 O4 C48A C47A -172.7(16) . . . . ?
K2 O4 C48 C47 142.3(8) . . . . ?
K2 C27 C28 C29 -79.6(3) . . . . ?
K2 C27 C32 C31 72.2(4) . . . . ?
K2 C28 C29 C30 -78.5(4) . . . . ?
K2 C29 C30 C31 -65.9(4) . . . . ?
K2 C33 C34 C35 70.9(3) . . . . ?
K2 C33 C38 C37 -71.5(3) . . . . ?
K2 C34 C35 C36 69.5(3) . . . . ?
K2 C35 C36 C37 64.7(3) . . . . ?
K2 C36 C37 C38 65.2(3) . . . . ?
K2 C37 C38 C33 69.1(3) . . . . ?
O1 C23 C24 C25 -28.2(3) . . . . ?
O2 C19 C20 C21 33.7(12) . . . . ?
O2 C19 C20A C21A -30.0(12) . . . . ?
O3 C49 C50 C51 30.0(4) . . . . ?
O4 C45 C46A C47A -21.4(10) . . . . ?
O4 C45 C46 C47 -26.8(7) . . . . ?
N1 N2 C15 C14 -0.2(3) . . . . ?
N1 C13 C14 C15 -0.2(4) . . . . ?
N2 N1 C13 C14 0.0(4) . . . . ?
N2 N1 B1 N3 56.3(4) . . . . ?
N3 N4 C18 C17 0.0(4) . . . . ?
N3 C16 C17 C18 -0.4(4) . . . . ?
N4 N3 C16 C17 0.4(4) . . . . ?
N4 N3 B1 N1 -57.7(4) . . . . ?
N5 N6 C41 C40 0.1(3) . . . . ?
N5 C39 C40 C41 0.2(4) . . . . ?
N6 N5 C39 C40 -0.1(4) . . . . ?
N6 N5 B2 K1 -110.6(2) . . . . ?
N6 N5 B2 N7 58.3(3) . . . . ?
N7 N8 C44 C43 0.3(4) . . . . ?
N7 C42 C43 C44 0.1(4) . . . . ?
N8 N7 C42 C43 0.1(4) . . . . ?
N8 N7 B2 K1 106.1(3) . . . . ?
N8 N7 B2 N5 -60.7(4) . . . . ?
C1 C2 C3 K1 67.4(3) . . . . ?
C1 C2 C3 C4 -0.2(5) . . . . ?
C2 C1 C6 K1 -72.6(2) . . . . ?
C2 C1 C6 C5 1.8(4) . . . . ?
C2 C3 C4 K1 63.1(3) . . . . ?
C2 C3 C4 C5 0.7(5) . . . . ?
C3 C4 C5 K1 63.5(3) . . . . ?
C3 C4 C5 C6 0.0(5) . . . . ?
C4 C5 C6 K1 69.4(3) . . . . ?
C4 C5 C6 C1 -1.3(5) . . . . ?
C6 C1 C2 K1 70.9(2) . . . . ?
C6 C1 C2 C3 -1.0(5) . . . . ?
C7 C8 C9 K1 -68.9(3) . . . . ?
C7 C8 C9 C10 1.6(5) . . . . ?
C8 C7 C12 K1 71.0(2) . . . . ?
C8 C7 C12 C11 -0.3(4) . . . . ?
C8 C9 C10 K1 -65.6(3) . . . . ?
C8 C9 C10 C11 -1.2(5) . . . . ?
C9 C10 C11 K1 -62.8(3) . . . . ?
C9 C10 C11 C12 0.2(5) . . . . ?
C10 C11 C12 K1 -66.5(3) . . . . ?
C10 C11 C12 C7 0.6(5) . . . . ?
C12 C7 C8 K1 -72.3(2) . . . . ?
C12 C7 C8 C9 -0.8(4) . . . . ?
C13 N1 N2 Pt1 175.8(2) . . . . ?
C13 N1 N2 C15 0.1(3) . . . . ?
C13 N1 B1 N3 -125.6(3) . . . . ?
C13 C14 C15 N2 0.2(4) . . . . ?
C16 N3 N4 Pt1 -172.1(2) . . . . ?
C16 N3 N4 C18 -0.2(4) . . . . ?
C16 N3 B1 N1 122.0(4) . . . . ?
C16 C17 C18 N4 0.2(4) . . . . ?
C19 O2 C22A C21A 18.6(12) . . . . ?
C19 O2 C22 C21 -6.8(13) . . . . ?
C19 C20 C21 C22 -36.1(14) . . . . ?
C19 C20A C21A C22A 40.5(13) . . . . ?
C20 C21 C22 O2 27.9(15) . . . . ?
C20A C21A C22A O2 -36.6(12) . . . . ?
C22A O2 C19 C20A 8.1(12) . . . . ?
C22 O2 C19 C20 -17.8(11) . . . . ?
C23 O1 C26 C25 -40.3(3) . . . . ?
C23 C24 C25 C26 4.2(3) . . . . ?
C24 C25 C26 O1 21.1(3) . . . . ?
C26 O1 C23 C24 42.8(3) . . . . ?
C27 C28 C29 K2 77.9(3) . . . . ?
C27 C28 C29 C30 -0.5(6) . . . . ?
C28 C27 C32 C31 2.7(5) . . . . ?
C28 C29 C30 C31 1.5(6) . . . . ?
C29 C30 C31 C32 -0.4(6) . . . . ?
C30 C31 C32 C27 -1.8(6) . . . . ?
C32 C27 C28 K2 78.1(3) . . . . ?
C32 C27 C28 C29 -1.5(5) . . . . ?
C33 C34 C35 K2 -68.7(3) . . . . ?
C33 C34 C35 C36 0.8(5) . . . . ?
C34 C33 C38 K2 70.7(2) . . . . ?
C34 C33 C38 C37 -0.8(4) . . . . ?
C34 C35 C36 K2 -66.0(3) . . . . ?
C34 C35 C36 C37 -1.3(5) . . . . ?
C35 C36 C37 K2 -64.4(3) . . . . ?
C35 C36 C37 C38 0.8(5) . . . . ?
C36 C37 C38 K2 -68.8(3) . . . . ?
C36 C37 C38 C33 0.3(5) . . . . ?
C38 C33 C34 K2 -70.6(2) . . . . ?
C38 C33 C34 C35 0.3(4) . . . . ?
C39 N5 N6 Pt2 175.0(2) . . . . ?
C39 N5 N6 C41 0.0(3) . . . . ?
C39 N5 B2 K1 70.0(4) . . . . ?
C39 N5 B2 N7 -121.1(3) . . . . ?
C39 C40 C41 N6 -0.2(4) . . . . ?
C42 N7 N8 Pt2 -171.6(2) . . . . ?
C42 N7 N8 C44 -0.2(4) . . . . ?
C42 N7 B2 K1 -73.6(4) . . . . ?
C42 N7 B2 N5 119.6(4) . . . . ?
C42 C43 C44 N8 -0.2(4) . . . . ?
C45 O4 C48A C47A 22(2) . . . . ?
C45 O4 C48 C47 -37.0(10) . . . . ?
C45 C46A C47A C48A 33.9(16) . . . . ?
C45 C46 C47 C48 4.3(9) . . . . ?
C46A C47A C48A O4 -35(2) . . . . ?
C48A O4 C45 C46A -0.8(17) . . . . ?
C49 O3 C52 C51 38.6(4) . . . . ?
C49 C50 C51 C52 -6.6(4) . . . . ?
C50 C51 C52 O3 -18.9(4) . . . . ?
C52 O3 C49 C50 -42.7(4) . . . . ?
B1 N1 N2 Pt1 -5.8(4) . . . . ?
B1 N1 N2 C15 178.5(3) . . . . ?
B1 N1 C13 C14 -178.2(3) . . . . ?
B1 N3 N4 Pt1 7.6(4) . . . . ?
B1 N3 N4 C18 179.5(3) . . . . ?
B1 N3 C16 C17 -179.3(3) . . . . ?
B2 N5 N6 Pt2 -4.5(3) . . . . ?
B2 N5 N6 C41 -179.5(3) . . . . ?
B2 N5 C39 C40 179.4(3) . . . . ?
B2 N7 N8 Pt2 8.6(4) . . . . ?
B2 N7 N8 C44 -180.0(3) . . . . ?
B2 N7 C42 C43 179.8(3) . . . . ?
C46 C47 C48 O4 19.2(11) . . . . ?
C48 O4 C45 C46 40.4(8) . . . . ?

# end Validation Reply Form
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a mylar loop in oil'
_olex2_submission_original_sample_id 'New BpPtPh2'
_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT112_jl312               
;
PROBLEM: ADDSYM Detects New (Pseudo) Symm. Elem         C         93 %Fit  
RESPONSE: While there is near C-centered symmetry, disorder in one of the THF
groups on each molecule breaks this symmetry.
;
