# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_EGR72_P3
_database_code_depnum_ccdc_archive 'CCDC 1556598'
_audit_update_record             
;
2017-06-16 deposited with the CCDC.
2017-11-27 downloaded from the CCDC.
;


#------------------------------------------------------------------------------#
#                             CHEMICAL INFORMATION                             #
#------------------------------------------------------------------------------#


_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C22 H23 Cl N2 O4 Pt'
_chemical_formula_sum            'C22 H23 Cl N2 O4 Pt'
_chemical_formula_weight         609.96
_chemical_compound_source        'synthesis as described'

#------------------------------------------------------------------------------#
#                            UNIT CELL INFORMATION                             #
#------------------------------------------------------------------------------#


_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.7007(18)
_cell_length_b                   17.547(2)
_cell_length_c                   8.3565(9)
_cell_angle_alpha                90
_cell_angle_beta                 105.283(4)
_cell_angle_gamma                90
_cell_volume                     2079.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150
_cell_measurement_reflns_used    9609
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      27.52
_cell_measurement_wavelength     0.71073

#------------------------------------------------------------------------------#
#                             CRYSTAL INFORMATION                              #
#------------------------------------------------------------------------------#

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.360
_exptl_crystal_size_min          0.100
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.948
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1184
_exptl_special_details           
;
 ?
;

#------------------------------------------------------------------------------#
#                            ABSORPTION CORRECTION                             #
#------------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    6.909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.261
_exptl_absorpt_correction_T_max  0.501

#------------------------------------------------------------------------------#
#                               DATA COLLECTION                                #
#------------------------------------------------------------------------------#

_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_ambient_temperature      150
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_reflns_av_r_equivalents  0.0533
_diffrn_reflns_av_uneti/neti     0.0460
_diffrn_reflns_number            23269
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         3.099
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_reflns_number_total             4760
_reflns_number_gt                3997
_reflns_threshold_expression     >2sigma(I)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

#------------------------------------------------------------------------------#
#                            COMPUTER PROGRAMS USED                            #
#------------------------------------------------------------------------------#

_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_cell_refinement       'APEX3 (Bruker, 2015); SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'SXGRAPH (Farrugia, 1999), Mercury (CSD, 2016)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2017)'

#------------------------------------------------------------------------------#
#                            REFINEMENT INFORMATION                            #
#------------------------------------------------------------------------------#

_refine_special_details          
;
Refinement of F² against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1291P)²+14.3480P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4760
_refine_ls_number_parameters     271
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0537
_refine_ls_wR_factor_ref         0.1833
_refine_ls_wR_factor_gt          0.1687
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.507
_refine_diff_density_min         -2.732
_refine_diff_density_rms         0.342

#...............................................................................
# .RES SHELXL file: job.res
# .HKL SHELXL file: job.hkl
#...............................................................................



# ............... End of .HKL file .............................................
#------------------------------------------------------------------------------#

#------------------------------------------------------------------------------#
#               ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS               #
#------------------------------------------------------------------------------#

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_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 0.38055(2) 0.44332(2) -0.16863(4) 0.01986(16) Uani 1 1 d . . . . .
Cl1 Cl 0.25117(18) 0.52602(14) -0.3016(3) 0.0356(5) Uani 1 1 d . . . . .
C1 C 0.4790(6) 0.3736(4) -0.0749(9) 0.0199(16) Uani 1 1 d . . . . .
C3 C 0.6230(6) 0.2714(5) 0.0541(10) 0.0231(16) Uani 1 1 d . . . . .
O4 O 0.6868(4) 0.2159(3) 0.1163(8) 0.0270(13) Uani 1 1 d . . . . .
C5 C 0.7795(6) 0.2252(5) 0.0916(12) 0.0285(18) Uani 1 1 d . . . . .
H5A H 0.809776 0.271286 0.150511 0.034 Uiso 1 1 calc R U . . .
H5B H 0.774748 0.231394 -0.028011 0.034 Uiso 1 1 calc R U . . .
C6 C 0.8372(7) 0.1565(5) 0.1570(12) 0.032(2) Uani 1 1 d . . . . .
H6A H 0.804831 0.110124 0.102651 0.039 Uiso 1 1 calc R U . . .
H6B H 0.899151 0.160040 0.131475 0.039 Uiso 1 1 calc R U . . .
O7 O 0.8507(5) 0.1512(4) 0.3304(8) 0.0276(13) Uani 1 1 d . . . . .
C8 C 0.9113(7) 0.0888(6) 0.3967(14) 0.036(2) Uani 1 1 d . . . . .
H8A H 0.972613 0.095084 0.369910 0.043 Uiso 1 1 calc R U . . .
H8B H 0.882533 0.040461 0.346435 0.043 Uiso 1 1 calc R U . . .
C9 C 0.9264(8) 0.0859(7) 0.5806(14) 0.042(3) Uani 1 1 d . . . . .
H9A H 0.864718 0.086838 0.607337 0.050 Uiso 1 1 calc R U . . .
H9B H 0.958848 0.037874 0.624389 0.050 Uiso 1 1 calc R U . . .
O10 O 0.9814(6) 0.1487(6) 0.6568(9) 0.050(2) Uani 1 1 d . . . . .
C11A C 0.9923(12) 0.1554(14) 0.8283(17) 0.089(5) Uani 0.5 1 d . . P A 1
H11A H 1.011010 0.208823 0.857841 0.107 Uiso 0.5 1 calc R U P A 1
H11B H 0.928689 0.148888 0.845848 0.107 Uiso 0.5 1 calc R U P A 1
C12A C 1.052(3) 0.111(4) 0.944(5) 0.089(5) Uani 0.5 1 d . . P A 1
H12A H 1.015519 0.065546 0.962238 0.107 Uiso 0.5 1 calc R U P A 1
H12B H 1.068977 0.139625 1.048994 0.107 Uiso 0.5 1 calc R U P A 1
O13A O 1.1355(17) 0.0844(18) 0.913(3) 0.089(6) Uani 0.5 1 d . . P A 1
H13A H 1.165127 0.057811 0.993386 0.133 Uiso 0.5 1 calc R U P A 1
C11B C 0.9923(12) 0.1554(14) 0.8283(17) 0.089(5) Uani 0.5 1 d . . P A 2
H11C H 0.931798 0.143689 0.854155 0.107 Uiso 0.5 1 calc R U P A 2
H11D H 1.010333 0.208279 0.864277 0.107 Uiso 0.5 1 calc R U P A 2
C12B C 1.070(3) 0.099(4) 0.923(5) 0.089(5) Uani 0.5 1 d . . P A 2
H12C H 1.054785 0.047338 0.876084 0.107 Uiso 0.5 1 calc R U P A 2
H12D H 1.131091 0.114237 0.903479 0.107 Uiso 0.5 1 calc R U P A 2
O13B O 1.0794(16) 0.0961(18) 1.078(3) 0.089(6) Uani 0.5 1 d . . P A 2
H13B H 1.122054 0.064807 1.121698 0.133 Uiso 0.5 1 calc R U P A 2
N21 N 0.3106(5) 0.3708(4) -0.0511(8) 0.0231(15) Uani 1 1 d . . . . .
C22 C 0.2202(6) 0.3782(6) -0.0429(13) 0.031(2) Uani 1 1 d . . . . .
H22 H 0.183380 0.419564 -0.098721 0.037 Uiso 1 1 calc R U . . .
C23 C 0.1805(7) 0.3275(7) 0.0440(14) 0.038(2) Uani 1 1 d . . . . .
H23 H 0.117481 0.334521 0.050685 0.046 Uiso 1 1 calc R U . . .
C24 C 0.2332(7) 0.2659(7) 0.1223(14) 0.041(3) Uani 1 1 d . . . . .
H24 H 0.206437 0.230223 0.182387 0.049 Uiso 1 1 calc R U . . .
C25 C 0.3245(7) 0.2570(6) 0.1119(12) 0.033(2) Uani 1 1 d . . . . .
H25 H 0.360260 0.214065 0.162002 0.039 Uiso 1 1 calc R U . . .
C26 C 0.3644(6) 0.3102(5) 0.0287(10) 0.0236(17) Uani 1 1 d . . . . .
C27 C 0.4623(6) 0.3121(4) 0.0178(10) 0.0193(15) Uani 1 1 d . . . . .
C28 C 0.5337(7) 0.2609(5) 0.0833(10) 0.0223(16) Uani 1 1 d . . . . .
H28 H 0.522739 0.218885 0.147502 0.027 Uiso 1 1 calc R U . . .
N31 N 0.4870(5) 0.4934(4) -0.2456(8) 0.0217(14) Uani 1 1 d . . . . .
C32 C 0.4825(8) 0.5582(4) -0.3304(11) 0.027(2) Uani 1 1 d . . . . .
H32 H 0.424509 0.585307 -0.360226 0.033 Uiso 1 1 calc R U . . .
C33 C 0.5591(7) 0.5876(5) -0.3768(11) 0.0284(19) Uani 1 1 d . . . . .
H33 H 0.554094 0.634453 -0.435486 0.034 Uiso 1 1 calc R U . . .
C34 C 0.6424(9) 0.5479(5) -0.3367(14) 0.033(2) Uani 1 1 d . . . . .
H34 H 0.694963 0.566046 -0.371607 0.040 Uiso 1 1 calc R U . . .
C35 C 0.6498(7) 0.4809(5) -0.2448(11) 0.0265(18) Uani 1 1 d . . . . .
H35 H 0.707772 0.453871 -0.212986 0.032 Uiso 1 1 calc R U . . .
C36 C 0.5700(7) 0.4541(4) -0.2000(10) 0.0197(16) Uani 1 1 d . . . . .
C37 C 0.5688(6) 0.3856(4) -0.0995(10) 0.0189(15) Uani 1 1 d . . . . .
C38 C 0.6420(6) 0.3341(5) -0.0353(10) 0.0215(16) Uani 1 1 d . . . . .
H38 H 0.702848 0.341608 -0.051886 0.026 Uiso 1 1 calc R U . . .



#------------------------------------------------------------------------------#
#                              MOLECULAR GEOMETRY                              #
#------------------------------------------------------------------------------#

_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 C1 1.899(8) . ?
Pt1 N31 2.040(7) . ?
Pt1 N21 2.043(7) . ?
Pt1 Cl1 2.417(2) . ?
C1 C27 1.387(11) . ?
C1 C37 1.404(12) . ?
C3 O4 1.357(10) . ?
C3 C38 1.399(11) . ?
C3 C28 1.409(13) . ?
O4 C5 1.439(11) . ?
C5 C6 1.493(12) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 O7 1.413(11) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
O7 C8 1.428(11) . ?
C8 C9 1.495(15) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 O10 1.414(16) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
O10 C11B 1.405(15) . ?
O10 C11A 1.405(15) . ?
C11A C12A 1.36(4) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
C12A O13A 1.40(4) . ?
C12A H12A 0.9900 . ?
C12A H12B 0.9900 . ?
O13A H13A 0.8400 . ?
C11B C12B 1.56(4) . ?
C11B H11C 0.9900 . ?
C11B H11D 0.9900 . ?
C12B O13B 1.27(4) . ?
C12B H12C 0.9900 . ?
C12B H12D 0.9900 . ?
O13B H13B 0.8400 . ?
N21 C22 1.355(11) . ?
N21 C26 1.387(11) . ?
C22 C23 1.373(14) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(15) . ?
C23 H23 0.9500 . ?
C24 C25 1.377(14) . ?
C24 H24 0.9500 . ?
C25 C26 1.384(13) . ?
C25 H25 0.9500 . ?
C26 C27 1.465(12) . ?
C27 C28 1.382(12) . ?
C28 H28 0.9500 . ?
N31 C32 1.333(10) . ?
N31 C36 1.366(11) . ?
C32 C33 1.384(15) . ?
C32 H32 0.9500 . ?
C33 C34 1.371(16) . ?
C33 H33 0.9500 . ?
C34 C35 1.393(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.402(13) . ?
C35 H35 0.9500 . ?
C36 C37 1.470(11) . ?
C37 C38 1.399(11) . ?
C38 H38 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 N31 81.0(3) . . ?
C1 Pt1 N21 80.0(3) . . ?
N31 Pt1 N21 160.9(3) . . ?
C1 Pt1 Cl1 176.3(2) . . ?
N31 Pt1 Cl1 99.9(2) . . ?
N21 Pt1 Cl1 99.2(2) . . ?
C27 C1 C37 120.7(7) . . ?
C27 C1 Pt1 120.2(6) . . ?
C37 C1 Pt1 119.1(6) . . ?
O4 C3 C38 123.6(8) . . ?
O4 C3 C28 114.9(7) . . ?
C38 C3 C28 121.4(8) . . ?
C3 O4 C5 116.7(7) . . ?
O4 C5 C6 109.0(7) . . ?
O4 C5 H5A 109.9 . . ?
C6 C5 H5A 109.9 . . ?
O4 C5 H5B 109.9 . . ?
C6 C5 H5B 109.9 . . ?
H5A C5 H5B 108.3 . . ?
O7 C6 C5 109.9(7) . . ?
O7 C6 H6A 109.7 . . ?
C5 C6 H6A 109.7 . . ?
O7 C6 H6B 109.7 . . ?
C5 C6 H6B 109.7 . . ?
H6A C6 H6B 108.2 . . ?
C6 O7 C8 110.6(7) . . ?
O7 C8 C9 109.4(8) . . ?
O7 C8 H8A 109.8 . . ?
C9 C8 H8A 109.8 . . ?
O7 C8 H8B 109.8 . . ?
C9 C8 H8B 109.8 . . ?
H8A C8 H8B 108.2 . . ?
O10 C9 C8 110.5(9) . . ?
O10 C9 H9A 109.6 . . ?
C8 C9 H9A 109.6 . . ?
O10 C9 H9B 109.6 . . ?
C8 C9 H9B 109.6 . . ?
H9A C9 H9B 108.1 . . ?
C11B O10 C9 115.0(12) . . ?
C11A O10 C9 115.0(12) . . ?
C12A C11A O10 123(2) . . ?
C12A C11A H11A 106.5 . . ?
O10 C11A H11A 106.5 . . ?
C12A C11A H11B 106.5 . . ?
O10 C11A H11B 106.5 . . ?
H11A C11A H11B 106.5 . . ?
C11A C12A O13A 119(3) . . ?
C11A C12A H12A 107.5 . . ?
O13A C12A H12A 107.5 . . ?
C11A C12A H12B 107.5 . . ?
O13A C12A H12B 107.5 . . ?
H12A C12A H12B 107.0 . . ?
C12A O13A H13A 109.5 . . ?
O10 C11B C12B 109.6(17) . . ?
O10 C11B H11C 109.8 . . ?
C12B C11B H11C 109.8 . . ?
O10 C11B H11D 109.8 . . ?
C12B C11B H11D 109.8 . . ?
H11C C11B H11D 108.2 . . ?
O13B C12B C11B 114(3) . . ?
O13B C12B H12C 108.7 . . ?
C11B C12B H12C 108.7 . . ?
O13B C12B H12D 108.7 . . ?
C11B C12B H12D 108.7 . . ?
H12C C12B H12D 107.6 . . ?
C12B O13B H13B 109.5 . . ?
C22 N21 C26 119.5(8) . . ?
C22 N21 Pt1 126.1(6) . . ?
C26 N21 Pt1 114.3(6) . . ?
N21 C22 C23 121.6(9) . . ?
N21 C22 H22 119.2 . . ?
C23 C22 H22 119.2 . . ?
C22 C23 C24 119.4(9) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C25 C24 C23 119.4(9) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 120.3(9) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C25 C26 N21 119.6(8) . . ?
C25 C26 C27 126.9(8) . . ?
N21 C26 C27 113.5(7) . . ?
C28 C27 C1 119.9(7) . . ?
C28 C27 C26 128.1(8) . . ?
C1 C27 C26 112.0(7) . . ?
C27 C28 C3 119.5(7) . . ?
C27 C28 H28 120.3 . . ?
C3 C28 H28 120.3 . . ?
C32 N31 C36 119.6(8) . . ?
C32 N31 Pt1 126.9(7) . . ?
C36 N31 Pt1 113.5(5) . . ?
N31 C32 C33 122.5(9) . . ?
N31 C32 H32 118.7 . . ?
C33 C32 H32 118.7 . . ?
C34 C33 C32 118.8(8) . . ?
C34 C33 H33 120.6 . . ?
C32 C33 H33 120.6 . . ?
C33 C34 C35 119.9(10) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 C36 118.7(9) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
N31 C36 C35 120.4(7) . . ?
N31 C36 C37 115.3(8) . . ?
C35 C36 C37 124.3(8) . . ?
C38 C37 C1 120.3(7) . . ?
C38 C37 C36 128.5(8) . . ?
C1 C37 C36 111.1(7) . . ?
C37 C38 C3 118.1(8) . . ?
C37 C38 H38 120.9 . . ?
C3 C38 H38 120.9 . . ?

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
N31 Pt1 C1 C27 178.6(7) . . . . ?
N21 Pt1 C1 C27 0.6(6) . . . . ?
N31 Pt1 C1 C37 -0.9(6) . . . . ?
N21 Pt1 C1 C37 -178.8(7) . . . . ?
C38 C3 O4 C5 2.1(12) . . . . ?
C28 C3 O4 C5 -178.9(7) . . . . ?
C3 O4 C5 C6 -175.9(7) . . . . ?
O4 C5 C6 O7 -64.5(10) . . . . ?
C5 C6 O7 C8 -176.0(8) . . . . ?
C6 O7 C8 C9 178.4(9) . . . . ?
O7 C8 C9 O10 -69.1(11) . . . . ?
C8 C9 O10 C11B 174.2(10) . . . . ?
C8 C9 O10 C11A 174.2(10) . . . . ?
C9 O10 C11A C12A 76(4) . . . . ?
O10 C11A C12A O13A 32(7) . . . . ?
C9 O10 C11B C12B 80(3) . . . . ?
O10 C11B C12B O13B -174(4) . . . . ?
C26 N21 C22 C23 0.6(14) . . . . ?
Pt1 N21 C22 C23 -177.8(8) . . . . ?
N21 C22 C23 C24 -1.7(17) . . . . ?
C22 C23 C24 C25 0.3(18) . . . . ?
C23 C24 C25 C26 2.0(17) . . . . ?
C24 C25 C26 N21 -3.1(14) . . . . ?
C24 C25 C26 C27 174.8(10) . . . . ?
C22 N21 C26 C25 1.8(12) . . . . ?
Pt1 N21 C26 C25 -179.6(7) . . . . ?
C22 N21 C26 C27 -176.4(8) . . . . ?
Pt1 N21 C26 C27 2.2(9) . . . . ?
C37 C1 C27 C28 -1.7(12) . . . . ?
Pt1 C1 C27 C28 178.9(6) . . . . ?
C37 C1 C27 C26 179.9(7) . . . . ?
Pt1 C1 C27 C26 0.4(9) . . . . ?
C25 C26 C27 C28 2.0(15) . . . . ?
N21 C26 C27 C28 180.0(8) . . . . ?
C25 C26 C27 C1 -179.7(9) . . . . ?
N21 C26 C27 C1 -1.7(10) . . . . ?
C1 C27 C28 C3 -0.4(12) . . . . ?
C26 C27 C28 C3 177.7(8) . . . . ?
O4 C3 C28 C27 -176.8(7) . . . . ?
C38 C3 C28 C27 2.2(12) . . . . ?
C36 N31 C32 C33 0.7(13) . . . . ?
Pt1 N31 C32 C33 179.9(6) . . . . ?
N31 C32 C33 C34 1.2(14) . . . . ?
C32 C33 C34 C35 -2.7(15) . . . . ?
C33 C34 C35 C36 2.2(14) . . . . ?
C32 N31 C36 C35 -1.2(12) . . . . ?
Pt1 N31 C36 C35 179.5(6) . . . . ?
C32 N31 C36 C37 177.0(7) . . . . ?
Pt1 N31 C36 C37 -2.4(8) . . . . ?
C34 C35 C36 N31 -0.3(13) . . . . ?
C34 C35 C36 C37 -178.2(8) . . . . ?
C27 C1 C37 C38 2.1(12) . . . . ?
Pt1 C1 C37 C38 -178.5(6) . . . . ?
C27 C1 C37 C36 -179.6(7) . . . . ?
Pt1 C1 C37 C36 -0.1(9) . . . . ?
N31 C36 C37 C38 179.8(8) . . . . ?
C35 C36 C37 C38 -2.1(13) . . . . ?
N31 C36 C37 C1 1.7(10) . . . . ?
C35 C36 C37 C1 179.7(8) . . . . ?
C1 C37 C38 C3 -0.4(11) . . . . ?
C36 C37 C38 C3 -178.4(8) . . . . ?
O4 C3 C38 C37 177.1(7) . . . . ?
C28 C3 C38 C37 -1.8(12) . . . . ?

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#===END OF CIF FILE FOR EGR72_P3                                               #
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