# Supplementary Information (SI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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. 
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data_arl0321a_0m
_audit_block_doi                 10.5517/ccdc.csd.cc2knt57
_database_code_depnum_ccdc_archive 'CCDC 2373489'
loop_
_audit_author_name
_audit_author_address
'Francisco Jose Fernandez de Cordova'
;Institute for Chemical Research (CSIC US) 
Spain
;
_audit_update_record             
;
2024-07-25 deposited with the CCDC.	2024-08-29 downloaded from the CCDC.
;
_audit_creation_date             2021-02-12
_audit_creation_method           
;
Olex2 1.3
(compiled Sep 10 2019 10:52:38 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H33 Cl N O P Pt'
_chemical_formula_sum            'C44 H33 Cl N O P Pt'
_chemical_formula_weight         853.22
_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'
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'
P P 0.1023 0.0942 '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                   12.2709(5)
_cell_length_b                   19.9984(8)
_cell_length_c                   14.2874(6)
_cell_angle_alpha                90
_cell_angle_beta                 93.210(2)
_cell_angle_gamma                90
_cell_volume                     3500.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9900
_cell_measurement_temperature    298.0
_cell_measurement_theta_max      26.34
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.885
_shelx_estimated_absorpt_T_min   0.788
_exptl_absorpt_coefficient_mu    4.167
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6725
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.0707 before and 0.0579 after correction.
The Ratio of minimum to maximum transmission is 0.9022.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_unetI/netI     0.0330
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            40186
_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         26.382
_diffrn_reflns_theta_min         2.037
_diffrn_ambient_temperature      298.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5892
_reflns_number_total             7162
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.538
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         7162
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0238
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0077P)²+3.0023P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0415
_refine_ls_wR_factor_ref         0.0450
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C12(H12), C13(H13), C15(H15),
 C16(H16), C17(H17), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C27(H27),
  C28(H28), C29(H29), C30(H30), C31(H31), C33(H33), C34(H34), C35(H35),
 C36(H36), C37(H37), C39(H39), C40(H40), C41(H41), C42(H42), C43(H43)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.36150(2) 0.34166(2) 0.47165(2) 0.02856(4) Uani 1 1 d . . . . .
Cl1 Cl 0.50726(8) 0.29888(5) 0.38782(7) 0.0606(3) Uani 1 1 d . . . . .
P2 P 0.25303(7) 0.25763(4) 0.42158(6) 0.03175(18) Uani 1 1 d . . . . .
C45 C 0.2538(3) 0.39341(14) 0.5431(2) 0.0316(7) Uani 1 1 d . . . . .
O2 O -0.03569(19) 0.43227(12) 0.5768(2) 0.0555(7) Uani 1 1 d . . . . .
N3 N 0.4655(2) 0.41228(11) 0.53701(17) 0.0287(5) Uani 1 1 d . . . . .
C1 C 0.3033(2) 0.43841(14) 0.6085(2) 0.0296(7) Uani 1 1 d . . . . .
C2 C 0.2391(3) 0.48901(15) 0.6508(2) 0.0328(7) Uani 1 1 d . . . . .
C3 C 0.2839(3) 0.54605(16) 0.6979(2) 0.0406(8) Uani 1 1 d . . . . .
H3 H 0.359257 0.551828 0.702403 0.049 Uiso 1 1 calc R U . . .
C4 C 0.2187(3) 0.59258(18) 0.7367(3) 0.0557(10) Uani 1 1 d . . . . .
H4 H 0.250164 0.629409 0.767425 0.067 Uiso 1 1 calc R U . . .
C5 C 0.1050(4) 0.5855(2) 0.7308(3) 0.0656(12) Uani 1 1 d . . . . .
H5 H 0.061492 0.616277 0.760073 0.079 Uiso 1 1 calc R U . . .
C6 C 0.0588(3) 0.53397(18) 0.6826(3) 0.0537(10) Uani 1 1 d . . . . .
H6 H -0.016789 0.530118 0.677682 0.064 Uiso 1 1 calc R U . . .
C7 C 0.1239(3) 0.48531(15) 0.6391(2) 0.0373(8) Uani 1 1 d . . . . .
C8 C 0.0764(3) 0.43407(17) 0.5801(3) 0.0410(8) Uani 1 1 d . . . . .
C9 C 0.1406(3) 0.39292(15) 0.5305(2) 0.0370(7) Uani 1 1 d . . . . .
H9 H 0.107666 0.363636 0.487026 0.044 Uiso 1 1 calc R U . . .
C10 C -0.0866(3) 0.3749(2) 0.5340(4) 0.0702(13) Uani 1 1 d . . . . .
H10A H -0.086748 0.379077 0.467082 0.105 Uiso 1 1 calc R U . . .
H10B H -0.160293 0.371545 0.552713 0.105 Uiso 1 1 calc R U . . .
H10C H -0.046826 0.335465 0.553507 0.105 Uiso 1 1 calc R U . . .
C11 C 0.4229(2) 0.43586(13) 0.6159(2) 0.0277(6) Uani 1 1 d . . . . .
C12 C 0.5723(3) 0.42244(15) 0.5217(2) 0.0360(7) Uani 1 1 d . . . . .
H12 H 0.600470 0.405581 0.467433 0.043 Uiso 1 1 calc R U . . .
C13 C 0.6390(3) 0.45652(15) 0.5835(2) 0.0389(8) Uani 1 1 d . . . . .
H13 H 0.707597 0.470183 0.566692 0.047 Uiso 1 1 calc R U . . .
C14 C 0.6041(3) 0.47115(15) 0.6731(2) 0.0366(7) Uani 1 1 d . . . . .
C15 C 0.6755(3) 0.49816(18) 0.7447(3) 0.0504(10) Uani 1 1 d . . . . .
H15 H 0.745341 0.511693 0.731154 0.060 Uiso 1 1 calc R U . . .
C16 C 0.6419(3) 0.5043(2) 0.8330(3) 0.0638(12) Uani 1 1 d . . . . .
H16 H 0.687434 0.524453 0.878886 0.077 Uiso 1 1 calc R U . . .
C17 C 0.5393(3) 0.4805(2) 0.8559(3) 0.0557(10) Uani 1 1 d . . . . .
H17 H 0.520126 0.482456 0.917914 0.067 Uiso 1 1 calc R U . . .
C18 C 0.4664(3) 0.45454(16) 0.7891(2) 0.0374(8) Uani 1 1 d . . . . .
C19 C 0.3688(3) 0.41864(16) 0.8204(2) 0.0368(7) Uani 1 1 d . . . . .
C20 C 0.3027(3) 0.44620(19) 0.8866(2) 0.0468(9) Uani 1 1 d . . . . .
H20 H 0.315776 0.489478 0.908272 0.056 Uiso 1 1 calc R U . . .
C21 C 0.2182(3) 0.4096(2) 0.9201(3) 0.0577(11) Uani 1 1 d . . . . .
H21 H 0.174141 0.428408 0.964035 0.069 Uiso 1 1 calc R U . . .
C22 C 0.1986(3) 0.3457(2) 0.8893(3) 0.0624(11) Uani 1 1 d . . . . .
H22 H 0.140947 0.321473 0.911782 0.075 Uiso 1 1 calc R U . . .
C23 C 0.2635(3) 0.31759(19) 0.8255(3) 0.0538(10) Uani 1 1 d . . . . .
H23 H 0.250631 0.273910 0.805465 0.065 Uiso 1 1 calc R U . . .
C24 C 0.3482(3) 0.35362(16) 0.7906(2) 0.0422(8) Uani 1 1 d . . . . .
H24 H 0.391706 0.334186 0.746806 0.051 Uiso 1 1 calc R U . . .
C25 C 0.4953(3) 0.45485(14) 0.6935(2) 0.0317(7) Uani 1 1 d . . . . .
C26 C 0.1889(3) 0.27204(15) 0.3053(2) 0.0344(7) Uani 1 1 d . . . . .
C27 C 0.1422(3) 0.22103(18) 0.2503(2) 0.0502(10) Uani 1 1 d . . . . .
H27 H 0.142296 0.177420 0.272902 0.060 Uiso 1 1 calc R U . . .
C28 C 0.0957(3) 0.2350(2) 0.1624(3) 0.0569(11) Uani 1 1 d . . . . .
H28 H 0.063835 0.200808 0.126186 0.068 Uiso 1 1 calc R U . . .
C29 C 0.0962(3) 0.2990(2) 0.1280(3) 0.0567(10) Uani 1 1 d . . . . .
H29 H 0.064150 0.308115 0.068806 0.068 Uiso 1 1 calc R U . . .
C30 C 0.1435(3) 0.3491(2) 0.1803(3) 0.0561(10) Uani 1 1 d . . . . .
H30 H 0.144854 0.392256 0.156185 0.067 Uiso 1 1 calc R U . . .
C31 C 0.1896(3) 0.33626(16) 0.2693(2) 0.0428(8) Uani 1 1 d . . . . .
H31 H 0.221112 0.370892 0.304820 0.051 Uiso 1 1 calc R U . . .
C32 C 0.1455(3) 0.23387(15) 0.4983(2) 0.0364(7) Uani 1 1 d . . . . .
C33 C 0.0484(3) 0.2053(2) 0.4654(3) 0.0581(11) Uani 1 1 d . . . . .
H33 H 0.034138 0.200438 0.401160 0.070 Uiso 1 1 calc R U . . .
C34 C -0.0277(4) 0.1840(2) 0.5260(3) 0.0717(13) Uani 1 1 d . . . . .
H34 H -0.092358 0.164349 0.502593 0.086 Uiso 1 1 calc R U . . .
C35 C -0.0084(3) 0.1916(2) 0.6211(3) 0.0608(11) Uani 1 1 d . . . . .
H35 H -0.059520 0.176930 0.662203 0.073 Uiso 1 1 calc R U . . .
C36 C 0.0863(3) 0.22083(19) 0.6549(3) 0.0531(10) Uani 1 1 d . . . . .
H36 H 0.099410 0.226413 0.719155 0.064 Uiso 1 1 calc R U . . .
C37 C 0.1627(3) 0.24213(17) 0.5943(2) 0.0431(8) Uani 1 1 d . . . . .
H37 H 0.226669 0.262307 0.618219 0.052 Uiso 1 1 calc R U . . .
C38 C 0.3242(3) 0.17784(15) 0.4088(3) 0.0403(8) Uani 1 1 d . . . . .
C39 C 0.3315(3) 0.13291(18) 0.4825(3) 0.0570(11) Uani 1 1 d . . . . .
H39 H 0.299119 0.142915 0.538145 0.068 Uiso 1 1 calc R U . . .
C40 C 0.3867(4) 0.0733(2) 0.4738(4) 0.0767(15) Uani 1 1 d . . . . .
H40 H 0.392537 0.043659 0.523983 0.092 Uiso 1 1 calc R U . . .
C41 C 0.4328(4) 0.0575(2) 0.3920(4) 0.0786(16) Uani 1 1 d . . . . .
H41 H 0.468028 0.016727 0.385750 0.094 Uiso 1 1 calc R U . . .
C42 C 0.4271(4) 0.1020(2) 0.3191(4) 0.0714(13) Uani 1 1 d . . . . .
H42 H 0.459323 0.091432 0.263586 0.086 Uiso 1 1 calc R U . . .
C43 C 0.3737(3) 0.16242(19) 0.3272(3) 0.0558(10) Uani 1 1 d . . . . .
H43 H 0.371278 0.192666 0.277671 0.067 Uiso 1 1 calc R U . . .


_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 2.3677(9) . ?
Pt1 P2 2.2364(8) . ?
Pt1 C45 2.003(3) . ?
Pt1 N3 2.088(2) . ?
P2 C26 1.821(3) . ?
P2 C32 1.825(3) . ?
P2 C38 1.833(3) . ?
C45 C1 1.409(4) . ?
C45 C9 1.391(4) . ?
O2 C8 1.375(4) . ?
O2 C10 1.427(4) . ?
N3 C11 1.353(4) . ?
N3 C12 1.356(4) . ?
C1 C2 1.436(4) . ?
C1 C11 1.467(4) . ?
C2 C3 1.420(4) . ?
C2 C7 1.416(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.365(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.400(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.346(5) . ?
C6 H6 0.9300 . ?
C6 C7 1.423(5) . ?
C7 C8 1.430(5) . ?
C8 C9 1.364(5) . ?
C9 H9 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C25 1.433(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.354(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.402(5) . ?
C14 C15 1.416(5) . ?
C14 C25 1.420(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.353(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.401(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.373(4) . ?
C18 C19 1.487(5) . ?
C18 C25 1.431(4) . ?
C19 C20 1.393(5) . ?
C19 C24 1.387(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.377(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.368(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.365(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.380(5) . ?
C24 H24 0.9300 . ?
C26 C27 1.392(4) . ?
C26 C31 1.384(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.379(5) . ?
C28 H28 0.9300 . ?
C28 C29 1.370(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.361(5) . ?
C30 H30 0.9300 . ?
C30 C31 1.386(5) . ?
C31 H31 0.9300 . ?
C32 C33 1.379(5) . ?
C32 C37 1.386(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.377(5) . ?
C34 H34 0.9300 . ?
C34 C35 1.375(6) . ?
C35 H35 0.9300 . ?
C35 C36 1.365(5) . ?
C36 H36 0.9300 . ?
C36 C37 1.378(5) . ?
C37 H37 0.9300 . ?
C38 C39 1.384(5) . ?
C38 C43 1.379(5) . ?
C39 H39 0.9300 . ?
C39 C40 1.381(6) . ?
C40 H40 0.9300 . ?
C40 C41 1.363(7) . ?
C41 H41 0.9300 . ?
C41 C42 1.368(7) . ?
C42 H42 0.9300 . ?
C42 C43 1.383(5) . ?
C43 H43 0.9300 . ?

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
P2 Pt1 Cl1 91.12(3) . . ?
C45 Pt1 Cl1 169.54(9) . . ?
C45 Pt1 P2 98.84(9) . . ?
C45 Pt1 N3 80.02(11) . . ?
N3 Pt1 Cl1 90.60(7) . . ?
N3 Pt1 P2 171.51(7) . . ?
C26 P2 Pt1 113.07(10) . . ?
C26 P2 C32 107.41(15) . . ?
C26 P2 C38 103.33(15) . . ?
C32 P2 Pt1 116.16(11) . . ?
C32 P2 C38 101.43(15) . . ?
C38 P2 Pt1 114.06(11) . . ?
C1 C45 Pt1 113.3(2) . . ?
C9 C45 Pt1 127.8(2) . . ?
C9 C45 C1 118.7(3) . . ?
C8 O2 C10 116.6(3) . . ?
C11 N3 Pt1 110.69(19) . . ?
C11 N3 C12 120.2(3) . . ?
C12 N3 Pt1 127.0(2) . . ?
C45 C1 C2 120.2(3) . . ?
C45 C1 C11 114.7(3) . . ?
C2 C1 C11 124.4(3) . . ?
C3 C2 C1 123.9(3) . . ?
C7 C2 C1 118.7(3) . . ?
C7 C2 C3 117.1(3) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.3(3) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.7(3) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.9(4) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 H6 119.5 . . ?
C5 C6 C7 121.1(4) . . ?
C7 C6 H6 119.5 . . ?
C2 C7 C6 119.5(3) . . ?
C2 C7 C8 118.5(3) . . ?
C6 C7 C8 121.9(3) . . ?
O2 C8 C7 114.3(3) . . ?
C9 C8 O2 124.9(3) . . ?
C9 C8 C7 120.7(3) . . ?
C45 C9 H9 119.0 . . ?
C8 C9 C45 122.0(3) . . ?
C8 C9 H9 119.0 . . ?
O2 C10 H10A 109.5 . . ?
O2 C10 H10B 109.5 . . ?
O2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 C1 112.6(3) . . ?
N3 C11 C25 119.0(3) . . ?
C25 C11 C1 128.4(3) . . ?
N3 C12 H12 119.2 . . ?
C13 C12 N3 121.6(3) . . ?
C13 C12 H12 119.2 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.8(3) . . ?
C14 C13 H13 120.1 . . ?
C13 C14 C15 122.1(3) . . ?
C13 C14 C25 118.5(3) . . ?
C15 C14 C25 119.3(3) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0(4) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.8(3) . . ?
C17 C16 H16 119.6 . . ?
C16 C17 H17 119.2 . . ?
C18 C17 C16 121.6(4) . . ?
C18 C17 H17 119.2 . . ?
C17 C18 C19 118.6(3) . . ?
C17 C18 C25 118.4(3) . . ?
C25 C18 C19 122.4(3) . . ?
C20 C19 C18 121.5(3) . . ?
C24 C19 C18 119.7(3) . . ?
C24 C19 C20 118.5(3) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.3(4) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.4(4) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.1(4) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.3(4) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.4(4) . . ?
C23 C24 H24 119.8 . . ?
C14 C25 C11 116.8(3) . . ?
C14 C25 C18 118.9(3) . . ?
C18 C25 C11 124.2(3) . . ?
C27 C26 P2 122.9(2) . . ?
C31 C26 P2 118.4(2) . . ?
C31 C26 C27 118.8(3) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.4(3) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0(3) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C31 120.5(3) . . ?
C31 C30 H30 119.8 . . ?
C26 C31 C30 120.1(3) . . ?
C26 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C33 C32 P2 122.9(3) . . ?
C33 C32 C37 117.9(3) . . ?
C37 C32 P2 119.2(3) . . ?
C32 C33 H33 119.4 . . ?
C34 C33 C32 121.2(4) . . ?
C34 C33 H33 119.4 . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.1(4) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 120.2 . . ?
C36 C35 C34 119.6(4) . . ?
C36 C35 H35 120.2 . . ?
C35 C36 H36 119.8 . . ?
C35 C36 C37 120.4(4) . . ?
C37 C36 H36 119.8 . . ?
C32 C37 H37 119.6 . . ?
C36 C37 C32 120.9(3) . . ?
C36 C37 H37 119.6 . . ?
C39 C38 P2 120.0(3) . . ?
C43 C38 P2 120.9(3) . . ?
C43 C38 C39 119.0(3) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 C38 120.2(4) . . ?
C40 C39 H39 119.9 . . ?
C39 C40 H40 119.8 . . ?
C41 C40 C39 120.4(4) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 120.1 . . ?
C40 C41 C42 119.8(4) . . ?
C42 C41 H41 120.1 . . ?
C41 C42 H42 119.7 . . ?
C41 C42 C43 120.6(5) . . ?
C43 C42 H42 119.7 . . ?
C38 C43 C42 120.0(4) . . ?
C38 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?

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 P2 C26 C27 162.7(3) . . . . ?
Pt1 P2 C26 C31 -15.4(3) . . . . ?
Pt1 P2 C32 C33 152.3(3) . . . . ?
Pt1 P2 C32 C37 -30.3(3) . . . . ?
Pt1 P2 C38 C39 92.1(3) . . . . ?
Pt1 P2 C38 C43 -86.1(3) . . . . ?
Pt1 C45 C1 C2 166.7(2) . . . . ?
Pt1 C45 C1 C11 -3.6(3) . . . . ?
Pt1 C45 C9 C8 -175.5(3) . . . . ?
Pt1 N3 C11 C1 -32.5(3) . . . . ?
Pt1 N3 C11 C25 147.6(2) . . . . ?
Pt1 N3 C12 C13 -162.4(2) . . . . ?
P2 C26 C27 C28 -179.4(3) . . . . ?
P2 C26 C31 C30 178.8(3) . . . . ?
P2 C32 C33 C34 175.6(3) . . . . ?
P2 C32 C37 C36 -175.8(3) . . . . ?
P2 C38 C39 C40 -178.8(3) . . . . ?
P2 C38 C43 C42 179.9(3) . . . . ?
C45 C1 C2 C3 -163.5(3) . . . . ?
C45 C1 C2 C7 11.3(4) . . . . ?
C45 C1 C11 N3 24.7(4) . . . . ?
C45 C1 C11 C25 -155.5(3) . . . . ?
O2 C8 C9 C45 -174.3(3) . . . . ?
N3 C11 C25 C14 22.5(4) . . . . ?
N3 C11 C25 C18 -153.8(3) . . . . ?
N3 C12 C13 C14 12.1(5) . . . . ?
C1 C45 C9 C8 -0.7(5) . . . . ?
C1 C2 C3 C4 179.9(3) . . . . ?
C1 C2 C7 C6 178.3(3) . . . . ?
C1 C2 C7 C8 -4.4(5) . . . . ?
C1 C11 C25 C14 -157.4(3) . . . . ?
C1 C11 C25 C18 26.4(5) . . . . ?
C2 C1 C11 N3 -145.2(3) . . . . ?
C2 C1 C11 C25 34.6(5) . . . . ?
C2 C3 C4 C5 -0.3(6) . . . . ?
C2 C7 C8 O2 176.8(3) . . . . ?
C2 C7 C8 C9 -4.9(5) . . . . ?
C3 C2 C7 C6 -6.5(5) . . . . ?
C3 C2 C7 C8 170.7(3) . . . . ?
C3 C4 C5 C6 -3.1(7) . . . . ?
C4 C5 C6 C7 1.5(7) . . . . ?
C5 C6 C7 C2 3.4(6) . . . . ?
C5 C6 C7 C8 -173.7(4) . . . . ?
C6 C7 C8 O2 -6.0(5) . . . . ?
C6 C7 C8 C9 172.3(3) . . . . ?
C7 C2 C3 C4 5.0(5) . . . . ?
C7 C8 C9 C45 7.6(5) . . . . ?
C9 C45 C1 C2 -8.8(4) . . . . ?
C9 C45 C1 C11 -179.2(3) . . . . ?
C10 O2 C8 C7 -168.3(3) . . . . ?
C10 O2 C8 C9 13.5(5) . . . . ?
C11 N3 C12 C13 -0.5(4) . . . . ?
C11 C1 C2 C3 5.9(5) . . . . ?
C11 C1 C2 C7 -179.3(3) . . . . ?
C12 N3 C11 C1 162.9(3) . . . . ?
C12 N3 C11 C25 -17.0(4) . . . . ?
C12 C13 C14 C15 171.0(3) . . . . ?
C12 C13 C14 C25 -5.6(5) . . . . ?
C13 C14 C15 C16 -172.4(4) . . . . ?
C13 C14 C25 C11 -11.1(4) . . . . ?
C13 C14 C25 C18 165.3(3) . . . . ?
C14 C15 C16 C17 3.8(6) . . . . ?
C15 C14 C25 C11 172.2(3) . . . . ?
C15 C14 C25 C18 -11.3(4) . . . . ?
C15 C16 C17 C18 -4.5(7) . . . . ?
C16 C17 C18 C19 168.5(4) . . . . ?
C16 C17 C18 C25 -2.8(6) . . . . ?
C17 C18 C19 C20 49.1(5) . . . . ?
C17 C18 C19 C24 -124.5(4) . . . . ?
C17 C18 C25 C11 -173.2(3) . . . . ?
C17 C18 C25 C14 10.6(5) . . . . ?
C18 C19 C20 C21 -174.6(3) . . . . ?
C18 C19 C24 C23 174.2(3) . . . . ?
C19 C18 C25 C11 15.8(5) . . . . ?
C19 C18 C25 C14 -160.4(3) . . . . ?
C19 C20 C21 C22 0.4(6) . . . . ?
C20 C19 C24 C23 0.5(5) . . . . ?
C20 C21 C22 C23 0.6(6) . . . . ?
C21 C22 C23 C24 -1.0(6) . . . . ?
C22 C23 C24 C19 0.5(6) . . . . ?
C24 C19 C20 C21 -0.9(5) . . . . ?
C25 C14 C15 C16 4.1(5) . . . . ?
C25 C18 C19 C20 -140.0(3) . . . . ?
C25 C18 C19 C24 46.5(5) . . . . ?
C26 P2 C32 C33 24.6(3) . . . . ?
C26 P2 C32 C37 -158.0(3) . . . . ?
C26 P2 C38 C39 -144.8(3) . . . . ?
C26 P2 C38 C43 37.1(3) . . . . ?
C26 C27 C28 C29 0.7(6) . . . . ?
C27 C26 C31 C30 0.6(5) . . . . ?
C27 C28 C29 C30 0.5(7) . . . . ?
C28 C29 C30 C31 -1.2(6) . . . . ?
C29 C30 C31 C26 0.7(6) . . . . ?
C31 C26 C27 C28 -1.3(6) . . . . ?
C32 P2 C26 C27 -67.8(3) . . . . ?
C32 P2 C26 C31 114.1(3) . . . . ?
C32 P2 C38 C39 -33.6(3) . . . . ?
C32 P2 C38 C43 148.3(3) . . . . ?
C32 C33 C34 C35 0.8(7) . . . . ?
C33 C32 C37 C36 1.7(5) . . . . ?
C33 C34 C35 C36 0.4(7) . . . . ?
C34 C35 C36 C37 -0.5(7) . . . . ?
C35 C36 C37 C32 -0.5(6) . . . . ?
C37 C32 C33 C34 -1.8(6) . . . . ?
C38 P2 C26 C27 38.9(3) . . . . ?
C38 P2 C26 C31 -139.2(3) . . . . ?
C38 P2 C32 C33 -83.4(3) . . . . ?
C38 P2 C32 C37 93.9(3) . . . . ?
C38 C39 C40 C41 -1.2(6) . . . . ?
C39 C38 C43 C42 1.8(6) . . . . ?
C39 C40 C41 C42 1.9(7) . . . . ?
C40 C41 C42 C43 -0.8(7) . . . . ?
C41 C42 C43 C38 -1.1(6) . . . . ?
C43 C38 C39 C40 -0.7(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_arl0421a_0m
_database_code_depnum_ccdc_archive 'CCDC 2373501'
loop_
_audit_author_name
_audit_author_address
'Francisco Jose Fernandez de Cordova'
;Institute for Chemical Research (CSIC US) 
Spain
;
_audit_update_record             
;
2024-07-25 deposited with the CCDC.	2024-08-29 downloaded from the CCDC.
;
_audit_creation_date             2021-02-19
_audit_creation_method           
;
Olex2 1.3
(compiled Sep 10 2019 10:52:38 for OlexSys, GUI svn.r5938)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H33 Cl N O P Pt'
_chemical_formula_sum            'C44 H33 Cl N O P Pt'
_chemical_formula_weight         853.22
_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'
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'
P P 0.1023 0.0942 '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                   10.0379(5)
_cell_length_b                   24.6197(12)
_cell_length_c                   14.0538(8)
_cell_angle_alpha                90
_cell_angle_beta                 101.912(2)
_cell_angle_gamma                90
_cell_volume                     3398.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9160
_cell_measurement_temperature    193.0
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   0.783
_shelx_estimated_absorpt_T_min   0.673
_exptl_absorpt_coefficient_mu    4.292
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.0577 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.9324.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_unetI/netI     0.0182
_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       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            78693
_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         28.307
_diffrn_reflns_theta_min         2.221
_diffrn_ambient_temperature      193.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7725
_reflns_number_total             8456
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.214
_refine_diff_density_min         -1.117
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         8456
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0215
_refine_ls_restrained_S_all      1.089
_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)+(0.0080P)²+4.5709P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0411
_refine_ls_wR_factor_ref         0.0423
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C12(H12), C13(H13), C16(H16),
 C17(H17), C20(H20), C21(H21), C22(H22), C23(H23), C25(H25), C26(H26), C28(H28),
  C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35), C36(H36),
 C37(H37), C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44)
2.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.58104(2) 0.54444(2) 0.24885(2) 0.02135(3) Uani 1 1 d . . . . .
Cl1 Cl 0.69436(7) 0.46225(3) 0.22732(8) 0.0588(2) Uani 1 1 d . . . . .
P2 P 0.37900(6) 0.50284(2) 0.21555(4) 0.02113(11) Uani 1 1 d . . . . .
N1 N 0.76787(18) 0.58458(7) 0.28510(13) 0.0209(4) Uani 1 1 d . . . . .
O2 O 0.40484(18) 0.75090(8) 0.61715(15) 0.0369(4) Uani 1 1 d . . . . .
C1 C 0.5167(2) 0.61896(9) 0.27656(16) 0.0227(4) Uani 1 1 d . . . . .
C2 C 0.6232(2) 0.65636(9) 0.30513(15) 0.0207(4) Uani 1 1 d . . . . .
C3 C 0.7593(2) 0.63216(9) 0.33146(16) 0.0206(4) Uani 1 1 d . . . . .
C4 C 0.8903(2) 0.56217(10) 0.28355(18) 0.0255(5) Uani 1 1 d . . . . .
H4 H 0.893895 0.528919 0.249871 0.031 Uiso 1 1 calc R U . . .
C5 C 1.0084(2) 0.58604(10) 0.32898(18) 0.0273(5) Uani 1 1 d . . . . .
H5 H 1.093178 0.572859 0.318493 0.033 Uiso 1 1 calc R U . . .
C6 C 1.0048(2) 0.63018(9) 0.39139(17) 0.0244(5) Uani 1 1 d . . . . .
C7 C 1.1258(2) 0.65148(10) 0.44905(19) 0.0304(5) Uani 1 1 d . . . . .
H7 H 1.211754 0.638706 0.440189 0.036 Uiso 1 1 calc R U . . .
C8 C 1.1198(3) 0.69005(11) 0.5169(2) 0.0333(6) Uani 1 1 d . . . . .
H8 H 1.201204 0.705373 0.553567 0.040 Uiso 1 1 calc R U . . .
C9 C 0.9929(2) 0.70727(10) 0.53278(18) 0.0287(5) Uani 1 1 d . . . . .
H9 H 0.990768 0.732441 0.583682 0.034 Uiso 1 1 calc R U . . .
C10 C 0.8711(2) 0.68917(9) 0.47755(16) 0.0225(4) Uani 1 1 d . . . . .
C11 C 0.7448(2) 0.70546(9) 0.50930(16) 0.0229(4) Uani 1 1 d . . . . .
C12 C 0.7269(2) 0.75938(10) 0.53304(17) 0.0267(5) Uani 1 1 d . . . . .
H12 H 0.793572 0.785385 0.524906 0.032 Uiso 1 1 calc R U . . .
C13 C 0.6144(2) 0.77633(10) 0.56827(18) 0.0288(5) Uani 1 1 d . . . . .
H13 H 0.604034 0.813468 0.583583 0.035 Uiso 1 1 calc R U . . .
C14 C 0.5179(2) 0.73867(10) 0.58079(17) 0.0273(5) Uani 1 1 d . . . . .
C15 C 0.3775(3) 0.80668(12) 0.6293(2) 0.0431(7) Uani 1 1 d . . . . .
H15A H 0.449793 0.822275 0.679497 0.065 Uiso 1 1 calc R U . . .
H15B H 0.289873 0.810468 0.648991 0.065 Uiso 1 1 calc R U . . .
H15C H 0.374049 0.825863 0.567706 0.065 Uiso 1 1 calc R U . . .
C16 C 0.5331(2) 0.68431(10) 0.55738(18) 0.0279(5) Uani 1 1 d . . . . .
H16 H 0.465913 0.658517 0.565398 0.033 Uiso 1 1 calc R U . . .
C17 C 0.6457(2) 0.66786(9) 0.52256(17) 0.0253(5) Uani 1 1 d . . . . .
H17 H 0.655884 0.630680 0.507470 0.030 Uiso 1 1 calc R U . . .
C18 C 0.8757(2) 0.65190(9) 0.39988(16) 0.0208(4) Uani 1 1 d . . . . .
C19 C 0.5997(2) 0.71395(9) 0.29933(16) 0.0232(4) Uani 1 1 d . . . . .
C20 C 0.7031(2) 0.75322(9) 0.29806(17) 0.0258(5) Uani 1 1 d . . . . .
H20 H 0.795185 0.741834 0.306403 0.031 Uiso 1 1 calc R U . . .
C21 C 0.6721(3) 0.80708(10) 0.28504(18) 0.0308(5) Uani 1 1 d . . . . .
H21 H 0.742240 0.832472 0.281725 0.037 Uiso 1 1 calc R U . . .
C22 C 0.5380(3) 0.82525(10) 0.27652(19) 0.0351(6) Uani 1 1 d . . . . .
H22 H 0.518205 0.862965 0.269853 0.042 Uiso 1 1 calc R U . . .
C23 C 0.4360(3) 0.78919(11) 0.27776(18) 0.0331(6) Uani 1 1 d . . . . .
H23 H 0.345517 0.801972 0.272621 0.040 Uiso 1 1 calc R U . . .
C24 C 0.4630(2) 0.73252(10) 0.28666(17) 0.0255(5) Uani 1 1 d . . . . .
C25 C 0.3579(2) 0.69367(10) 0.27706(18) 0.0290(5) Uani 1 1 d . . . . .
H25 H 0.267608 0.705408 0.276721 0.035 Uiso 1 1 calc R U . . .
C26 C 0.3828(2) 0.63939(10) 0.26820(17) 0.0267(5) Uani 1 1 d . . . . .
H26 H 0.308353 0.614773 0.256122 0.032 Uiso 1 1 calc R U . . .
C27 C 0.3043(2) 0.49103(9) 0.32146(17) 0.0243(5) Uani 1 1 d . . . . .
C28 C 0.1951(3) 0.45533(11) 0.31854(19) 0.0318(5) Uani 1 1 d . . . . .
H28 H 0.162222 0.434525 0.261595 0.038 Uiso 1 1 calc R U . . .
C29 C 0.1342(3) 0.45011(12) 0.3986(2) 0.0387(6) Uani 1 1 d . . . . .
H29 H 0.059132 0.426259 0.395773 0.046 Uiso 1 1 calc R U . . .
C30 C 0.1831(3) 0.47960(12) 0.4820(2) 0.0395(7) Uani 1 1 d . . . . .
H30 H 0.140587 0.476446 0.536176 0.047 Uiso 1 1 calc R U . . .
C31 C 0.2937(3) 0.51372(12) 0.48692(19) 0.0374(6) Uani 1 1 d . . . . .
H31 H 0.328146 0.533348 0.544987 0.045 Uiso 1 1 calc R U . . .
C32 C 0.3547(2) 0.51940(11) 0.40728(17) 0.0291(5) Uani 1 1 d . . . . .
H32 H 0.431048 0.542716 0.411270 0.035 Uiso 1 1 calc R U . . .
C33 C 0.3823(2) 0.43617(10) 0.15917(18) 0.0262(5) Uani 1 1 d . . . . .
C34 C 0.3723(3) 0.43252(11) 0.05926(19) 0.0322(5) Uani 1 1 d . . . . .
H34 H 0.353523 0.464021 0.019713 0.039 Uiso 1 1 calc R U . . .
C35 C 0.3898(3) 0.38256(12) 0.0175(2) 0.0446(7) Uani 1 1 d . . . . .
H35 H 0.383037 0.379956 -0.050761 0.053 Uiso 1 1 calc R U . . .
C36 C 0.4170(3) 0.33689(13) 0.0745(3) 0.0521(8) Uani 1 1 d . . . . .
H36 H 0.429105 0.302903 0.045405 0.063 Uiso 1 1 calc R U . . .
C37 C 0.4267(3) 0.34016(12) 0.1732(3) 0.0485(8) Uani 1 1 d . . . . .
H37 H 0.444303 0.308384 0.212122 0.058 Uiso 1 1 calc R U . . .
C38 C 0.4108(3) 0.38968(11) 0.2161(2) 0.0379(6) Uani 1 1 d . . . . .
H38 H 0.419297 0.391952 0.284530 0.045 Uiso 1 1 calc R U . . .
C39 C 0.2490(2) 0.53796(9) 0.12725(16) 0.0243(4) Uani 1 1 d . . . . .
C40 C 0.1110(2) 0.53382(10) 0.12674(18) 0.0291(5) Uani 1 1 d . . . . .
H40 H 0.081548 0.513099 0.175575 0.035 Uiso 1 1 calc R U . . .
C41 C 0.0157(3) 0.55961(12) 0.0557(2) 0.0381(6) Uani 1 1 d . . . . .
H41 H -0.078427 0.557251 0.056866 0.046 Uiso 1 1 calc R U . . .
C42 C 0.0574(3) 0.58863(12) -0.0166(2) 0.0421(7) Uani 1 1 d . . . . .
H42 H -0.008017 0.605975 -0.065745 0.050 Uiso 1 1 calc R U . . .
C43 C 0.1939(3) 0.59254(12) -0.0178(2) 0.0425(7) Uani 1 1 d . . . . .
H43 H 0.222367 0.612239 -0.068234 0.051 Uiso 1 1 calc R U . . .
C44 C 0.2901(3) 0.56785(11) 0.05431(19) 0.0343(6) Uani 1 1 d . . . . .
H44 H 0.384240 0.571350 0.053910 0.041 Uiso 1 1 calc R U . . .


_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 2.3711(7) . ?
Pt1 P2 2.2336(6) . ?
Pt1 N1 2.0877(18) . ?
Pt1 C1 2.009(2) . ?
P2 C27 1.823(2) . ?
P2 C33 1.826(2) . ?
P2 C39 1.823(2) . ?
N1 C3 1.352(3) . ?
N1 C4 1.352(3) . ?
O2 C14 1.371(3) . ?
O2 C15 1.417(3) . ?
C1 C2 1.405(3) . ?
C1 C26 1.417(3) . ?
C2 C3 1.466(3) . ?
C2 C19 1.437(3) . ?
C3 C18 1.436(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.359(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.402(3) . ?
C6 C7 1.415(3) . ?
C6 C18 1.429(3) . ?
C7 H7 0.9500 . ?
C7 C8 1.356(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.403(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.380(3) . ?
C10 C11 1.484(3) . ?
C10 C18 1.434(3) . ?
C11 C12 1.389(3) . ?
C11 C17 1.399(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.387(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.378(3) . ?
C14 C16 1.394(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16 0.9500 . ?
C16 C17 1.381(3) . ?
C17 H17 0.9500 . ?
C19 C20 1.421(3) . ?
C19 C24 1.422(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.366(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.400(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.358(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.422(3) . ?
C24 C25 1.410(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.370(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.399(3) . ?
C27 C32 1.395(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.392(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.380(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.383(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.389(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.390(3) . ?
C33 C38 1.392(4) . ?
C34 H34 0.9500 . ?
C34 C35 1.390(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.375(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.373(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.384(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.387(3) . ?
C39 C44 1.392(3) . ?
C40 H40 0.9500 . ?
C40 C41 1.386(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.376(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.377(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.387(4) . ?
C44 H44 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
P2 Pt1 Cl1 91.19(2) . . ?
N1 Pt1 Cl1 90.27(5) . . ?
N1 Pt1 P2 177.68(5) . . ?
C1 Pt1 Cl1 170.28(7) . . ?
C1 Pt1 P2 98.34(7) . . ?
C1 Pt1 N1 80.15(8) . . ?
C27 P2 Pt1 114.26(8) . . ?
C27 P2 C33 104.97(11) . . ?
C33 P2 Pt1 113.95(8) . . ?
C39 P2 Pt1 114.63(8) . . ?
C39 P2 C27 105.90(11) . . ?
C39 P2 C33 101.87(11) . . ?
C3 N1 Pt1 112.62(14) . . ?
C4 N1 Pt1 125.24(15) . . ?
C4 N1 C3 120.66(19) . . ?
C14 O2 C15 116.9(2) . . ?
C2 C1 Pt1 113.43(16) . . ?
C2 C1 C26 116.3(2) . . ?
C26 C1 Pt1 130.18(17) . . ?
C1 C2 C3 114.8(2) . . ?
C1 C2 C19 121.6(2) . . ?
C19 C2 C3 123.3(2) . . ?
N1 C3 C2 112.27(19) . . ?
N1 C3 C18 119.50(19) . . ?
C18 C3 C2 128.2(2) . . ?
N1 C4 H4 119.2 . . ?
N1 C4 C5 121.6(2) . . ?
C5 C4 H4 119.2 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(2) . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C7 121.0(2) . . ?
C5 C6 C18 118.9(2) . . ?
C7 C6 C18 120.0(2) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.3(2) . . ?
C8 C7 H7 119.9 . . ?
C7 C8 H8 120.1 . . ?
C7 C8 C9 119.8(2) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 118.6 . . ?
C10 C9 C8 122.7(2) . . ?
C10 C9 H9 118.6 . . ?
C9 C10 C11 117.2(2) . . ?
C9 C10 C18 118.1(2) . . ?
C18 C10 C11 124.4(2) . . ?
C12 C11 C10 119.4(2) . . ?
C12 C11 C17 118.0(2) . . ?
C17 C11 C10 122.5(2) . . ?
C11 C12 H12 119.1 . . ?
C13 C12 C11 121.9(2) . . ?
C13 C12 H12 119.1 . . ?
C12 C13 H13 120.4 . . ?
C14 C13 C12 119.2(2) . . ?
C14 C13 H13 120.4 . . ?
O2 C14 C13 123.9(2) . . ?
O2 C14 C16 116.0(2) . . ?
C13 C14 C16 120.1(2) . . ?
O2 C15 H15A 109.5 . . ?
O2 C15 H15B 109.5 . . ?
O2 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16 119.9 . . ?
C17 C16 C14 120.1(2) . . ?
C17 C16 H16 119.9 . . ?
C11 C17 H17 119.7 . . ?
C16 C17 C11 120.6(2) . . ?
C16 C17 H17 119.7 . . ?
C6 C18 C3 116.3(2) . . ?
C6 C18 C10 118.3(2) . . ?
C10 C18 C3 125.3(2) . . ?
C20 C19 C2 124.1(2) . . ?
C20 C19 C24 117.9(2) . . ?
C24 C19 C2 117.9(2) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 121.0(2) . . ?
C21 C20 H20 119.5 . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C22 120.7(2) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.3(2) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.6 . . ?
C22 C23 C24 120.8(2) . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C19 119.2(2) . . ?
C25 C24 C19 118.5(2) . . ?
C25 C24 C23 122.1(2) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 C24 121.5(2) . . ?
C26 C25 H25 119.2 . . ?
C1 C26 H26 119.1 . . ?
C25 C26 C1 121.8(2) . . ?
C25 C26 H26 119.1 . . ?
C28 C27 P2 121.89(19) . . ?
C32 C27 P2 119.28(18) . . ?
C32 C27 C28 118.8(2) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 C27 120.4(3) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0(3) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 119.9 . . ?
C29 C30 C31 120.2(2) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C32 120.2(3) . . ?
C32 C31 H31 119.9 . . ?
C27 C32 H32 119.8 . . ?
C31 C32 C27 120.3(2) . . ?
C31 C32 H32 119.8 . . ?
C34 C33 P2 119.50(19) . . ?
C34 C33 C38 119.4(2) . . ?
C38 C33 P2 120.7(2) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 C33 119.6(3) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.4(3) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 119.8 . . ?
C37 C36 C35 120.3(3) . . ?
C37 C36 H36 119.8 . . ?
C36 C37 H37 120.0 . . ?
C36 C37 C38 120.1(3) . . ?
C38 C37 H37 120.0 . . ?
C33 C38 H38 119.9 . . ?
C37 C38 C33 120.2(3) . . ?
C37 C38 H38 119.9 . . ?
C40 C39 P2 122.85(18) . . ?
C40 C39 C44 118.9(2) . . ?
C44 C39 P2 118.20(19) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 C39 120.7(2) . . ?
C41 C40 H40 119.7 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 120.0(3) . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 120.0(3) . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.3(3) . . ?
C44 C43 H43 119.8 . . ?
C39 C44 H44 119.9 . . ?
C43 C44 C39 120.1(3) . . ?
C43 C44 H44 119.9 . . ?

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 P2 C27 C28 -165.43(17) . . . . ?
Pt1 P2 C27 C32 16.3(2) . . . . ?
Pt1 P2 C33 C34 -83.8(2) . . . . ?
Pt1 P2 C33 C38 88.5(2) . . . . ?
Pt1 P2 C39 C40 -151.49(18) . . . . ?
Pt1 P2 C39 C44 32.0(2) . . . . ?
Pt1 N1 C3 C2 -27.4(2) . . . . ?
Pt1 N1 C3 C18 150.59(16) . . . . ?
Pt1 N1 C4 C5 -164.32(18) . . . . ?
Pt1 C1 C2 C3 -13.7(2) . . . . ?
Pt1 C1 C2 C19 160.59(17) . . . . ?
Pt1 C1 C26 C25 -170.41(19) . . . . ?
P2 C27 C28 C29 -175.48(19) . . . . ?
P2 C27 C32 C31 175.84(19) . . . . ?
P2 C33 C34 C35 172.9(2) . . . . ?
P2 C33 C38 C37 -173.4(2) . . . . ?
P2 C39 C40 C41 -177.4(2) . . . . ?
P2 C39 C44 C43 176.1(2) . . . . ?
N1 C3 C18 C6 20.3(3) . . . . ?
N1 C3 C18 C10 -156.6(2) . . . . ?
N1 C4 C5 C6 10.0(4) . . . . ?
O2 C14 C16 C17 -178.4(2) . . . . ?
C1 C2 C3 N1 27.5(3) . . . . ?
C1 C2 C3 C18 -150.2(2) . . . . ?
C1 C2 C19 C20 -160.0(2) . . . . ?
C1 C2 C19 C24 15.0(3) . . . . ?
C2 C1 C26 C25 6.9(3) . . . . ?
C2 C3 C18 C6 -162.1(2) . . . . ?
C2 C3 C18 C10 21.0(4) . . . . ?
C2 C19 C20 C21 175.0(2) . . . . ?
C2 C19 C24 C23 -178.2(2) . . . . ?
C2 C19 C24 C25 -2.2(3) . . . . ?
C3 N1 C4 C5 0.7(3) . . . . ?
C3 C2 C19 C20 13.7(3) . . . . ?
C3 C2 C19 C24 -171.2(2) . . . . ?
C4 N1 C3 C2 165.8(2) . . . . ?
C4 N1 C3 C18 -16.2(3) . . . . ?
C4 C5 C6 C7 171.9(2) . . . . ?
C4 C5 C6 C18 -4.9(3) . . . . ?
C5 C6 C7 C8 -172.6(2) . . . . ?
C5 C6 C18 C3 -9.7(3) . . . . ?
C5 C6 C18 C10 167.4(2) . . . . ?
C6 C7 C8 C9 2.7(4) . . . . ?
C7 C6 C18 C3 173.4(2) . . . . ?
C7 C6 C18 C10 -9.5(3) . . . . ?
C7 C8 C9 C10 -4.4(4) . . . . ?
C8 C9 C10 C11 172.9(2) . . . . ?
C8 C9 C10 C18 -1.0(4) . . . . ?
C9 C10 C11 C12 47.4(3) . . . . ?
C9 C10 C11 C17 -128.3(2) . . . . ?
C9 C10 C18 C3 -175.4(2) . . . . ?
C9 C10 C18 C6 7.8(3) . . . . ?
C10 C11 C12 C13 -176.4(2) . . . . ?
C10 C11 C17 C16 176.4(2) . . . . ?
C11 C10 C18 C3 11.1(3) . . . . ?
C11 C10 C18 C6 -165.7(2) . . . . ?
C11 C12 C13 C14 0.4(4) . . . . ?
C12 C11 C17 C16 0.6(3) . . . . ?
C12 C13 C14 O2 178.5(2) . . . . ?
C12 C13 C14 C16 -0.6(4) . . . . ?
C13 C14 C16 C17 0.7(4) . . . . ?
C14 C16 C17 C11 -0.7(4) . . . . ?
C15 O2 C14 C13 9.1(4) . . . . ?
C15 O2 C14 C16 -171.8(2) . . . . ?
C17 C11 C12 C13 -0.4(4) . . . . ?
C18 C6 C7 C8 4.2(4) . . . . ?
C18 C10 C11 C12 -139.0(2) . . . . ?
C18 C10 C11 C17 45.2(3) . . . . ?
C19 C2 C3 N1 -146.6(2) . . . . ?
C19 C2 C3 C18 35.6(3) . . . . ?
C19 C20 C21 C22 2.6(4) . . . . ?
C19 C24 C25 C26 -7.8(4) . . . . ?
C20 C19 C24 C23 -2.8(3) . . . . ?
C20 C19 C24 C25 173.1(2) . . . . ?
C20 C21 C22 C23 -2.3(4) . . . . ?
C21 C22 C23 C24 -0.7(4) . . . . ?
C22 C23 C24 C19 3.2(4) . . . . ?
C22 C23 C24 C25 -172.6(2) . . . . ?
C23 C24 C25 C26 168.0(2) . . . . ?
C24 C19 C20 C21 0.0(3) . . . . ?
C24 C25 C26 C1 5.5(4) . . . . ?
C26 C1 C2 C3 168.6(2) . . . . ?
C26 C1 C2 C19 -17.2(3) . . . . ?
C27 P2 C33 C34 150.40(19) . . . . ?
C27 P2 C33 C38 -37.2(2) . . . . ?
C27 P2 C39 C40 -24.6(2) . . . . ?
C27 P2 C39 C44 158.89(19) . . . . ?
C27 C28 C29 C30 -1.1(4) . . . . ?
C28 C27 C32 C31 -2.5(4) . . . . ?
C28 C29 C30 C31 -1.0(4) . . . . ?
C29 C30 C31 C32 1.3(4) . . . . ?
C30 C31 C32 C27 0.4(4) . . . . ?
C32 C27 C28 C29 2.8(4) . . . . ?
C33 P2 C27 C28 -39.9(2) . . . . ?
C33 P2 C27 C32 141.88(19) . . . . ?
C33 P2 C39 C40 85.0(2) . . . . ?
C33 P2 C39 C44 -91.6(2) . . . . ?
C33 C34 C35 C36 0.0(4) . . . . ?
C34 C33 C38 C37 -1.0(4) . . . . ?
C34 C35 C36 C37 0.2(5) . . . . ?
C35 C36 C37 C38 -0.8(5) . . . . ?
C36 C37 C38 C33 1.2(5) . . . . ?
C38 C33 C34 C35 0.4(4) . . . . ?
C39 P2 C27 C28 67.4(2) . . . . ?
C39 P2 C27 C32 -110.81(19) . . . . ?
C39 P2 C33 C34 40.2(2) . . . . ?
C39 P2 C33 C38 -147.4(2) . . . . ?
C39 C40 C41 C42 1.5(4) . . . . ?
C40 C39 C44 C43 -0.5(4) . . . . ?
C40 C41 C42 C43 -0.7(4) . . . . ?
C41 C42 C43 C44 -0.7(4) . . . . ?
C42 C43 C44 C39 1.4(4) . . . . ?
C44 C39 C40 C41 -0.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
