# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_dwb1441
_database_code_depnum_ccdc_archive 'CCDC 1860540'
_audit_update_record             
;
2018-08-06 deposited with the CCDC.
2018-11-02 downloaded from the CCDC.
;
_audit_creation_date             2014-08-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C4 H6 Cl6 Pt2, 2(C16 H36 N)'
_chemical_formula_sum            'C36 H78 Cl6 N2 Pt2'
_chemical_formula_weight         1141.88
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C36 H78 Cl6 N2 Pt2'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   13.1677(5)
_cell_length_b                   12.8495(6)
_cell_length_c                   13.3831(7)
_cell_angle_alpha                90
_cell_angle_beta                 98.427(4)
_cell_angle_gamma                90
_cell_volume                     2239.95(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4812
_cell_measurement_temperature    109.9(4)
_cell_measurement_theta_max      32.0880
_cell_measurement_theta_min      3.7700
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.622
_exptl_absorpt_correction_T_max  0.681
_exptl_absorpt_correction_T_min  0.388
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1132
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.1848
_exptl_crystal_size_mid          0.1316
_exptl_crystal_size_min          0.0612
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0619
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11858
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         29.996
_diffrn_reflns_theta_min         3.459
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      109.9(4)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   43.00   86.00   1.0000   37.5000
omega____ theta____ kappa____ phi______ frames
    -       24.7780 -178.0000 -180.0000 43

#__ type_ start__ end____ width___ exp.time_
  2 omega  -45.00   92.00   1.0000   37.5000
omega____ theta____ kappa____ phi______ frames
    -       24.7780    0.0000  -60.0000 137

#__ type_ start__ end____ width___ exp.time_
  3 omega  -93.00  -61.00   1.0000   37.5000
omega____ theta____ kappa____ phi______ frames
    -      -25.4030  178.0000   60.0000 32

#__ type_ start__ end____ width___ exp.time_
  4 omega  -96.00  -70.00   1.0000   37.5000
omega____ theta____ kappa____ phi______ frames
    -      -25.4030  178.0000  120.0000 26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0205560000
_diffrn_orient_matrix_UB_12      -0.0482275000
_diffrn_orient_matrix_UB_13      -0.0194373000
_diffrn_orient_matrix_UB_21      0.0267768000
_diffrn_orient_matrix_UB_22      0.0053199000
_diffrn_orient_matrix_UB_23      -0.0421102000
_diffrn_orient_matrix_UB_31      0.0426977000
_diffrn_orient_matrix_UB_32      -0.0262297000
_diffrn_orient_matrix_UB_33      0.0269269000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5326
_reflns_number_total             6514
_reflns_odcompleteness_completeness 99.43
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     29.97
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         3.524
_refine_diff_density_min         -2.863
_refine_diff_density_rms         0.176
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         6514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0360
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0175P)²+2.1874P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0791
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Uiso: H1A(0.03) H1B(0.03) H2(0.03)
3.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B),
 C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B), C15(H15A,H15B), C16(H16A,H16B),
  C17(H17A,H17B)
3.b Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C10(H10A,H10B,H10C), C14(H14A,H14B,H14C), C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.37302(2) 0.55781(2) 0.11517(2) 0.01650(6) Uani 1 1 d . . . . .
Cl1 Cl 0.48072(9) 0.54212(10) 0.26648(10) 0.0286(3) Uani 1 1 d . . . . .
Cl2 Cl 0.23346(9) 0.53977(10) 0.19910(10) 0.0272(3) Uani 1 1 d . . . . .
Cl3 Cl 0.26278(9) 0.57013(10) -0.03350(9) 0.0277(3) Uani 1 1 d . . . . .
C1 C 0.4891(4) 0.6365(4) 0.0506(5) 0.0250(11) Uani 1 1 d . . . . .
C2 C 0.5110(4) 0.5299(4) 0.0464(4) 0.0247(11) Uani 1 1 d . . . . .
H1A H 0.531(4) 0.676(4) 0.113(4) 0.030 Uiso 1 1 d . . . . .
N1 N 0.5702(3) 0.2421(3) 0.4966(3) 0.0185(8) Uani 1 1 d . . . . .
C3 C 0.5897(4) 0.2027(4) 0.3946(4) 0.0217(10) Uani 1 1 d . . . . .
H3A H 0.5253 0.1772 0.3583 0.026 Uiso 1 1 calc R . . . .
H3B H 0.6362 0.1438 0.4054 0.026 Uiso 1 1 calc R . . . .
C4 C 0.6342(4) 0.2805(4) 0.3277(4) 0.0291(11) Uani 1 1 d . . . . .
H4A H 0.6970 0.3096 0.3640 0.035 Uiso 1 1 calc R . . . .
H4B H 0.5859 0.3370 0.3108 0.035 Uiso 1 1 calc R . . . .
C5 C 0.6570(4) 0.2285(4) 0.2313(4) 0.0301(12) Uani 1 1 d . . . . .
H5A H 0.6720 0.2820 0.1845 0.036 Uiso 1 1 calc R . . . .
H5B H 0.5959 0.1920 0.2003 0.036 Uiso 1 1 calc R . . . .
C6 C 0.7465(4) 0.1516(4) 0.2468(5) 0.0345(13) Uani 1 1 d . . . . .
H6A H 0.7571 0.1232 0.1828 0.052 Uiso 1 1 calc GR . . . .
H6B H 0.7311 0.0963 0.2905 0.052 Uiso 1 1 calc GR . . . .
H6C H 0.8076 0.1870 0.2770 0.052 Uiso 1 1 calc GR . . . .
C7 C 0.4923(3) 0.3287(3) 0.4859(4) 0.0204(9) Uani 1 1 d . . . . .
H7A H 0.5184 0.3853 0.4490 0.024 Uiso 1 1 calc R . . . .
H7B H 0.4858 0.3545 0.5528 0.024 Uiso 1 1 calc R . . . .
C8 C 0.3865(3) 0.2999(4) 0.4330(4) 0.0247(10) Uani 1 1 d . . . . .
H8A H 0.3637 0.2365 0.4622 0.030 Uiso 1 1 calc R . . . .
H8B H 0.3894 0.2870 0.3620 0.030 Uiso 1 1 calc R . . . .
C9 C 0.3104(3) 0.3871(4) 0.4432(4) 0.0292(12) Uani 1 1 d . . . . .
H9A H 0.3294 0.4483 0.4077 0.035 Uiso 1 1 calc R . . . .
H9B H 0.3132 0.4051 0.5140 0.035 Uiso 1 1 calc R . . . .
C10 C 0.2015(4) 0.3546(4) 0.4003(6) 0.0484(19) Uani 1 1 d . . . . .
H10A H 0.1992 0.3344 0.3309 0.073 Uiso 1 1 calc GR . . . .
H10B H 0.1556 0.4120 0.4045 0.073 Uiso 1 1 calc GR . . . .
H10C H 0.1811 0.2969 0.4383 0.073 Uiso 1 1 calc GR . . . .
C11 C 0.5333(4) 0.1492(3) 0.5522(4) 0.0218(10) Uani 1 1 d . . . . .
H11A H 0.4782 0.1156 0.5078 0.026 Uiso 1 1 calc R . . . .
H11B H 0.5893 0.0997 0.5653 0.026 Uiso 1 1 calc R . . . .
C12 C 0.4954(4) 0.1732(4) 0.6514(4) 0.0217(10) Uani 1 1 d . . . . .
H12A H 0.5473 0.2121 0.6950 0.026 Uiso 1 1 calc R . . . .
H12B H 0.4338 0.2153 0.6390 0.026 Uiso 1 1 calc R . . . .
C13 C 0.4727(3) 0.0723(4) 0.7023(4) 0.0209(9) Uani 1 1 d . . . . .
H13A H 0.5363 0.0343 0.7212 0.025 Uiso 1 1 calc R . . . .
H13B H 0.4278 0.0298 0.6548 0.025 Uiso 1 1 calc R . . . .
C14 C 0.4222(4) 0.0906(4) 0.7956(4) 0.0285(11) Uani 1 1 d . . . . .
H14A H 0.3560 0.1217 0.7763 0.043 Uiso 1 1 calc GR . . . .
H14B H 0.4643 0.1363 0.8409 0.043 Uiso 1 1 calc GR . . . .
H14C H 0.4145 0.0254 0.8287 0.043 Uiso 1 1 calc GR . . . .
C15 C 0.6676(3) 0.2873(4) 0.5566(4) 0.0207(10) Uani 1 1 d . . . . .
H15A H 0.6851 0.3506 0.5234 0.025 Uiso 1 1 calc R . . . .
H15B H 0.6532 0.3063 0.6232 0.025 Uiso 1 1 calc R . . . .
C16 C 0.7604(3) 0.2154(4) 0.5687(4) 0.0278(12) Uani 1 1 d . . . . .
H16A H 0.7445 0.1523 0.6030 0.033 Uiso 1 1 calc R . . . .
H16B H 0.7760 0.1961 0.5025 0.033 Uiso 1 1 calc R . . . .
C17 C 0.8528(4) 0.2667(4) 0.6279(4) 0.0293(12) Uani 1 1 d . . . . .
H17A H 0.9076 0.2159 0.6415 0.035 Uiso 1 1 calc R . . . .
H17B H 0.8354 0.2899 0.6923 0.035 Uiso 1 1 calc R . . . .
C18 C 0.8912(4) 0.3594(4) 0.5730(5) 0.0391(15) Uani 1 1 d . . . . .
H18A H 0.9042 0.3380 0.5074 0.059 Uiso 1 1 calc GR . . . .
H18B H 0.9536 0.3853 0.6112 0.059 Uiso 1 1 calc GR . . . .
H18C H 0.8402 0.4133 0.5661 0.059 Uiso 1 1 calc GR . . . .
H1B H 0.455(4) 0.671(4) -0.004(4) 0.030 Uiso 1 1 d . . . . .
H2 H 0.571(4) 0.491(4) 0.087(4) 0.030 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 Cl1 2.3045(12) . ?
Pt1 Cl2 2.3016(11) . ?
Pt1 Cl3 2.2901(12) . ?
Pt1 C1 2.119(5) . ?
Pt1 C2 2.184(5) . ?
C1 C2 1.403(7) . ?
C1 H1A 1.06(5) . ?
C1 H1B 0.91(5) . ?
C2 C2 1.453(10) 3_665 ?
C2 H2 1.02(5) . ?
N1 C3 1.514(6) . ?
N1 C7 1.506(5) . ?
N1 C11 1.523(6) . ?
N1 C15 1.524(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.516(7) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.522(7) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.529(7) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.513(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.523(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.524(7) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.516(7) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.514(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.517(7) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.522(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.503(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.525(8) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?

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
Cl2 Pt1 Cl1 89.71(5) . . ?
Cl3 Pt1 Cl1 178.35(4) . . ?
Cl3 Pt1 Cl2 88.92(5) . . ?
C1 Pt1 Cl1 90.69(17) . . ?
C1 Pt1 Cl2 157.24(14) . . ?
C1 Pt1 Cl3 90.93(17) . . ?
C1 Pt1 C2 38.01(18) . . ?
C2 Pt1 Cl1 85.00(13) . . ?
C2 Pt1 Cl2 164.24(15) . . ?
C2 Pt1 Cl3 96.08(13) . . ?
Pt1 C1 H1A 103(3) . . ?
Pt1 C1 H1B 105(3) . . ?
C2 C1 Pt1 73.5(3) . . ?
C2 C1 H1A 114(3) . . ?
C2 C1 H1B 121(4) . . ?
H1A C1 H1B 122(4) . . ?
Pt1 C2 H2 119(3) . . ?
C1 C2 Pt1 68.5(3) . . ?
C1 C2 C2 122.3(6) . 3_665 ?
C1 C2 H2 128(3) . . ?
C2 C2 Pt1 111.9(4) 3_665 . ?
C2 C2 H2 104(3) 3_665 . ?
C3 N1 C11 106.7(3) . . ?
C3 N1 C15 111.2(4) . . ?
C7 N1 C3 111.4(3) . . ?
C7 N1 C11 111.4(3) . . ?
C7 N1 C15 106.1(3) . . ?
C11 N1 C15 110.2(4) . . ?
N1 C3 H3A 108.2 . . ?
N1 C3 H3B 108.2 . . ?
N1 C3 C4 116.3(4) . . ?
H3A C3 H3B 107.4 . . ?
C4 C3 H3A 108.2 . . ?
C4 C3 H3B 108.2 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 C5 110.6(4) . . ?
H4A C4 H4B 108.1 . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
C4 C5 H5A 108.7 . . ?
C4 C5 H5B 108.7 . . ?
C4 C5 C6 114.3(4) . . ?
H5A C5 H5B 107.6 . . ?
C6 C5 H5A 108.7 . . ?
C6 C5 H5B 108.7 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C7 H7A 108.4 . . ?
N1 C7 H7B 108.4 . . ?
N1 C7 C8 115.5(4) . . ?
H7A C7 H7B 107.5 . . ?
C8 C7 H7A 108.4 . . ?
C8 C7 H7B 108.4 . . ?
C7 C8 H8A 109.6 . . ?
C7 C8 H8B 109.6 . . ?
C7 C8 C9 110.5(4) . . ?
H8A C8 H8B 108.1 . . ?
C9 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
C8 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
C8 C9 C10 111.1(4) . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 H11A 108.3 . . ?
N1 C11 H11B 108.3 . . ?
H11A C11 H11B 107.4 . . ?
C12 C11 N1 116.0(4) . . ?
C12 C11 H11A 108.3 . . ?
C12 C11 H11B 108.3 . . ?
C11 C12 H12A 109.8 . . ?
C11 C12 H12B 109.8 . . ?
H12A C12 H12B 108.2 . . ?
C13 C12 C11 109.4(4) . . ?
C13 C12 H12A 109.8 . . ?
C13 C12 H12B 109.8 . . ?
C12 C13 H13A 109.2 . . ?
C12 C13 H13B 109.2 . . ?
C12 C13 C14 112.1(4) . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 H15A 108.5 . . ?
N1 C15 H15B 108.5 . . ?
H15A C15 H15B 107.5 . . ?
C16 C15 N1 115.2(4) . . ?
C16 C15 H15A 108.5 . . ?
C16 C15 H15B 108.5 . . ?
C15 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C17 C16 C15 111.4(4) . . ?
C17 C16 H16A 109.4 . . ?
C17 C16 H16B 109.4 . . ?
C16 C17 H17A 109.0 . . ?
C16 C17 H17B 109.0 . . ?
C16 C17 C18 112.9(5) . . ?
H17A C17 H17B 107.8 . . ?
C18 C17 H17A 109.0 . . ?
C18 C17 H17B 109.0 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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 C1 C2 C2 103.0(6) . . . 3_665 ?
N1 C3 C4 C5 175.9(4) . . . . ?
N1 C7 C8 C9 169.9(4) . . . . ?
N1 C11 C12 C13 -173.9(4) . . . . ?
N1 C15 C16 C17 179.6(4) . . . . ?
C3 N1 C7 C8 61.9(5) . . . . ?
C3 N1 C11 C12 -172.2(4) . . . . ?
C3 N1 C15 C16 -53.6(5) . . . . ?
C3 C4 C5 C6 -69.8(6) . . . . ?
C7 N1 C3 C4 62.2(5) . . . . ?
C7 N1 C11 C12 -50.5(5) . . . . ?
C7 N1 C15 C16 -174.9(4) . . . . ?
C7 C8 C9 C10 -173.9(5) . . . . ?
C11 N1 C3 C4 -176.0(4) . . . . ?
C11 N1 C7 C8 -57.0(5) . . . . ?
C11 N1 C15 C16 64.5(5) . . . . ?
C11 C12 C13 C14 -173.0(4) . . . . ?
C15 N1 C3 C4 -55.9(5) . . . . ?
C15 N1 C7 C8 -176.9(4) . . . . ?
C15 N1 C11 C12 67.0(5) . . . . ?
C15 C16 C17 C18 -66.0(6) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1 0 -1 0.0306 1.0031 -0.0020 -0.9987 -0.0011 0.0689 0.0160
-1 0 1 0.0306 -1.0031 0.0020 0.9987 0.0011 -0.0689 -0.0160
0 1 -1 0.0441 0.0038 0.9967 -1.0007 -0.0287 0.0475 -0.0529
1 -1 1 0.0601 0.9961 -0.9963 1.0019 0.0081 -0.0208 0.0956
2 5 3 0.0712 1.9927 5.0045 2.9991 -0.3406 -0.0463 0.0346
-4 -5 -5 0.0941 -3.9860 -5.0104 -5.0016 0.4208 0.0772 -0.1734
2 -5 0 0.0869 1.9972 -4.9952 0.0059 0.1997 0.0267 0.2165
-5 5 -1 0.0482 -4.9936 4.9913 -1.0097 -0.1184 -0.0646 -0.3713

_olex2_submission_special_instructions 'No special instructions were received'


