# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_mo_156_11_0m_a_sq_d
_database_code_depnum_ccdc_archive 'CCDC 1881014'
loop_
_audit_author_name
_audit_author_address
'Qing-Fu Sun'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2018-11-24 deposited with the CCDC.	2019-03-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C104 H136 Cl6 La2 N16 O34 Pt2'
_chemical_formula_weight         3034.98

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'
La La -0.2871 2.4523 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1633(9)
_cell_length_b                   15.5448(10)
_cell_length_c                   18.1762(12)
_cell_angle_alpha                73.946(3)
_cell_angle_beta                 71.033(3)
_cell_angle_gamma                88.863(3)
_cell_volume                     3626.1(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9980
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      24.76

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_F_000             1516
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_absorpt_coefficient_mu    2.680
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            93911
_diffrn_reflns_av_unetI/netI     0.0511
_diffrn_reflns_av_R_equivalents  0.0903
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.386
_diffrn_reflns_theta_max         24.782
_diffrn_reflns_theta_full        24.782
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             12437
_reflns_number_gt                9308
_reflns_threshold_expression     'I > 2σ(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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0756P)²+2.8010P] 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         12437
_refine_ls_number_parameters     753
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0514
_refine_ls_wR_factor_ref         0.1402
_refine_ls_wR_factor_gt          0.1301
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_restrained_S_all      1.079
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
N1_1 N 0.4782(4) 0.6372(4) 0.0277(3) 0.0463(15) Uani 1 1 d . . . . .
C2_1 C 0.4416(6) 0.7101(6) -0.0065(5) 0.056(2) Uani 1 1 d . . . . .
H2_1 H 0.374684 0.721042 0.020200 0.067 Uiso 1 1 calc R U . . .
C3_1 C 0.4944(5) 0.7705(6) -0.0781(5) 0.060(2) Uani 1 1 d . . . . .
H3_1 H 0.463818 0.821779 -0.099755 0.072 Uiso 1 1 calc R U . . .
C4_1 C 0.5929(6) 0.7580(6) -0.1200(4) 0.055(2) Uani 1 1 d . . . . .
C5_1 C 0.6529(7) 0.8248(7) -0.1982(6) 0.081(3) Uani 1 1 d . . . . .
C6_1 C 0.7574(8) 0.7996(8) -0.2344(7) 0.105(4) Uani 1 1 d . . . . .
H6A_1 H 0.754431 0.739398 -0.241043 0.157 Uiso 1 1 calc R U . . .
H6AB_1 H 0.795786 0.800164 -0.198333 0.157 Uiso 1 1 calc R U . . .
H6AC_1 H 0.790064 0.842927 -0.287472 0.157 Uiso 1 1 calc R U . . .
C7_1 C 0.6016(9) 0.8253(8) -0.2605(6) 0.109(4) Uani 1 1 d . . . . .
H7A_1 H 0.638087 0.869298 -0.312174 0.163 Uiso 1 1 calc R U . . .
H7AB_1 H 0.532546 0.841483 -0.240727 0.163 Uiso 1 1 calc R U . . .
H7AC_1 H 0.601303 0.765511 -0.268431 0.163 Uiso 1 1 calc R U . . .
C8_1 C 0.6550(14) 0.9137(9) -0.1829(10) 0.231(13) Uani 1 1 d . . . . .
H8A_1 H 0.697299 0.913231 -0.149487 0.347 Uiso 1 1 calc R U . . .
H8AB_1 H 0.586875 0.926024 -0.154346 0.347 Uiso 1 1 calc R U . . .
H8AC_1 H 0.682352 0.960352 -0.234725 0.347 Uiso 1 1 calc R U . . .
C9_1 C 0.6307(5) 0.6810(5) -0.0841(4) 0.0495(19) Uani 1 1 d . . . . .
H9_1 H 0.697920 0.669626 -0.109473 0.059 Uiso 1 1 calc R U . . .
C10_1 C 0.5731(5) 0.6195(5) -0.0118(4) 0.0414(16) Uani 1 1 d . . . . .
C11_1 C 0.6094(5) 0.5381(5) 0.0300(4) 0.0431(17) Uani 1 1 d . . . . .
C12_1 C 0.7038(5) 0.5080(5) 0.0000(4) 0.0461(17) Uani 1 1 d . . . . .
H12_1 H 0.748795 0.541155 -0.051293 0.055 Uiso 1 1 calc R U . . .
C13_1 C 0.7325(5) 0.4311(5) 0.0437(4) 0.0470(19) Uani 1 1 d . . . . .
C14_1 C 0.8357(5) 0.3969(6) 0.0157(5) 0.0537(19) Uani 1 1 d . . . . .
C15_1 C 0.9027(5) 0.4584(6) -0.0671(5) 0.061(2) Uani 1 1 d . . . . .
H15A_1 H 0.969788 0.436683 -0.081242 0.092 Uiso 1 1 calc R U . . .
H15B_1 H 0.907202 0.519880 -0.063542 0.092 Uiso 1 1 calc R U . . .
H15C_1 H 0.873408 0.457668 -0.108926 0.092 Uiso 1 1 calc R U . . .
C16_1 C 0.8846(6) 0.3989(9) 0.0793(6) 0.093(3) Uani 1 1 d . . . . .
H16A_1 H 0.845538 0.357631 0.131836 0.139 Uiso 1 1 calc R U . . .
H16B_1 H 0.886482 0.459906 0.084356 0.139 Uiso 1 1 calc R U . . .
H16C_1 H 0.952993 0.380302 0.062355 0.139 Uiso 1 1 calc R U . . .
C17_1 C 0.8297(6) 0.3031(5) 0.0104(5) 0.054(2) Uani 1 1 d . . . . .
H17A_1 H 0.802493 0.302273 -0.032615 0.081 Uiso 1 1 calc R U . . .
H17B_1 H 0.785922 0.264255 0.062338 0.081 Uiso 1 1 calc R U . . .
H17C_1 H 0.896839 0.281183 -0.002205 0.081 Uiso 1 1 calc R U . . .
C18_1 C 0.6617(5) 0.3820(5) 0.1162(5) 0.0531(19) Uani 1 1 d . . . . .
H18_1 H 0.677162 0.326697 0.146580 0.064 Uiso 1 1 calc R U . . .
C19_1 C 0.5679(5) 0.4141(5) 0.1441(5) 0.0499(19) Uani 1 1 d . . . . .
H19_1 H 0.521532 0.381054 0.194786 0.060 Uiso 1 1 calc R U . . .
N20_1 N 0.5411(4) 0.4900(4) 0.1020(3) 0.0410(13) Uani 1 1 d . . . . .
C21_1 C 0.2863(5) 0.6065(5) 0.1662(4) 0.0417(16) Uani 1 1 d . . . . .
C22_1 C 0.2102(5) 0.6441(5) 0.1845(4) 0.0480(18) Uani 1 1 d . . . . .
C23_1 C 0.1221(5) 0.6918(5) 0.1964(4) 0.0435(16) Uani 1 1 d . . . . .
C24_1 C 0.1287(5) 0.7847(5) 0.1678(4) 0.0455(17) Uani 1 1 d . . . . .
H24_1 H 0.192073 0.817762 0.141548 0.055 Uiso 1 1 calc R U . . .
C25_1 C 0.0413(6) 0.8285(5) 0.1781(4) 0.0459(17) Uani 1 1 d . . . . .
N26_1 N -0.0498(4) 0.7858(4) 0.2179(3) 0.0444(14) Uani 1 1 d . . . . .
C27_1 C 0.0269(5) 0.6459(5) 0.2360(4) 0.0397(16) Uani 1 1 d . . . . .
H27_1 H 0.019445 0.582207 0.255304 0.048 Uiso 1 1 calc R U . . .
C28_1 C -0.0553(5) 0.6956(4) 0.2461(3) 0.0405(16) Uani 1 1 d . . . . .
C29_1 C -0.1621(5) 0.6575(5) 0.2964(4) 0.0454(17) Uani 1 1 d . . . . .
O30_1 O -0.2141(4) 0.7061(3) 0.3370(3) 0.0538(13) Uani 1 1 d . . . . .
N31_1 N -0.1971(4) 0.5772(4) 0.3022(4) 0.0530(16) Uani 1 1 d D . . . .
C32_1 C -0.1525(6) 0.5228(5) 0.2466(5) 0.055(2) Uani 1 1 d D . . . .
H32A_1 H -0.092932 0.557535 0.202874 0.066 Uiso 1 1 calc R U . . .
H32B_1 H -0.201484 0.512108 0.221152 0.066 Uiso 1 1 calc R U . . .
C33_1 C -0.1224(6) 0.4354(5) 0.2861(5) 0.065(2) Uani 1 1 d D . . . .
H33A_1 H -0.090474 0.404434 0.245153 0.097 Uiso 1 1 calc R U . . .
H33B_1 H -0.181645 0.398565 0.326770 0.097 Uiso 1 1 calc R U . . .
H33C_1 H -0.074935 0.445080 0.312622 0.097 Uiso 1 1 calc R U . . .
C34_1 C -0.3004(6) 0.5466(7) 0.3563(6) 0.083(3) Uani 1 1 d D . . . .
H34A_1 H -0.343568 0.596672 0.347470 0.099 Uiso 1 1 calc R U . . .
H34B_1 H -0.324374 0.497062 0.340813 0.099 Uiso 1 1 calc R U . . .
C35_1 C -0.3123(14) 0.5163(15) 0.4410(11) 0.226(11) Uani 1 1 d D . . . .
H35A_1 H -0.292799 0.454560 0.454478 0.339 Uiso 1 1 calc R U . . .
H35B_1 H -0.382444 0.518193 0.473109 0.339 Uiso 1 1 calc R U . . .
H35C_1 H -0.269713 0.555379 0.453316 0.339 Uiso 1 1 calc R U . . .
C36_1 C 0.0375(6) 0.9307(5) 0.1554(5) 0.055(2) Uani 1 1 d . . . . .
O37_1 O -0.0335(4) 0.9593(3) 0.2018(3) 0.0639(16) Uani 1 1 d . . . . .
N38_1 N 0.1058(5) 0.9844(4) 0.0909(4) 0.0622(19) Uani 1 1 d D . . . .
C39_1 C 0.1773(6) 0.9588(6) 0.0240(5) 0.071(3) Uani 1 1 d D . . . .
H39A_1 H 0.170042 0.994727 -0.027833 0.085 Uiso 1 1 calc R U . . .
H39B_1 H 0.162804 0.894717 0.030024 0.085 Uiso 1 1 calc R U . . .
C40_1 C 0.2853(7) 0.9736(7) 0.0215(6) 0.081(3) Uani 1 1 d D . . . .
H40A_1 H 0.331451 0.953133 -0.022532 0.122 Uiso 1 1 calc R U . . .
H40B_1 H 0.292210 0.939548 0.073329 0.122 Uiso 1 1 calc R U . . .
H40C_1 H 0.301320 1.037671 0.011942 0.122 Uiso 1 1 calc R U . . .
C42_1 C 0.0253(8) 1.1138(7) 0.0344(8) 0.106(4) Uani 1 1 d D . . . .
H42A_1 H 0.026320 1.179381 0.020636 0.159 Uiso 1 1 calc R U . . .
H42B_1 H -0.042303 1.087556 0.069082 0.159 Uiso 1 1 calc R U . . .
H42C_1 H 0.044412 1.095175 -0.015437 0.159 Uiso 1 1 calc R U . . .
C41_1 C 0.0975(7) 1.0820(5) 0.0786(7) 0.085(3) Uani 1 1 d D . . . .
H41A_1 H 0.164047 1.114507 0.046945 0.102 Uiso 1 1 calc R U . . .
H41B_1 H 0.074274 1.094710 0.131886 0.102 Uiso 1 1 calc R U . . .
C43_1 C 0.3561(5) 0.4544(5) 0.2425(4) 0.0420(16) Uani 1 1 d . . . . .
C44_1 C 0.3271(5) 0.3983(5) 0.3081(4) 0.0461(17) Uani 1 1 d . . . . .
C45_1 C 0.2989(5) 0.3309(4) 0.3840(4) 0.0418(16) Uani 1 1 d . . . . .
C46_1 C 0.1984(5) 0.2973(5) 0.4253(4) 0.0418(16) Uani 1 1 d . . . . .
H46_1 H 0.147475 0.316932 0.402328 0.050 Uiso 1 1 calc R U . . .
C47_1 C 0.1763(5) 0.2345(4) 0.5007(4) 0.0388(16) Uani 1 1 d . . . . .
N48_1 N 0.2451(4) 0.2023(4) 0.5352(3) 0.0399(13) Uani 1 1 d . . . . .
C49_1 C 0.3425(5) 0.2307(5) 0.4934(4) 0.0435(17) Uani 1 1 d . . . . .
C50_1 C 0.3705(5) 0.2952(5) 0.4202(4) 0.0412(16) Uani 1 1 d . . . . .
H50_1 H 0.439036 0.316086 0.393404 0.049 Uiso 1 1 calc R U . . .
C51_1 C 0.4078(5) 0.1916(5) 0.5404(5) 0.0471(17) Uani 1 1 d . . . . .
O52_1 O 0.3710(4) 0.1709(3) 0.6165(3) 0.0541(13) Uani 1 1 d . . . . .
N53_1 N 0.5028(4) 0.1770(4) 0.5051(4) 0.0512(15) Uani 1 1 d . . . . .
C54_1 C 0.5497(5) 0.1796(5) 0.4200(5) 0.055(2) Uani 1 1 d . . . . .
H54A_1 H 0.497136 0.183950 0.394523 0.066 Uiso 1 1 calc R U . . .
H54B_1 H 0.580870 0.122395 0.417585 0.066 Uiso 1 1 calc R U . . .
C55_1 C 0.6306(6) 0.2585(6) 0.3701(6) 0.079(3) Uani 1 1 d . . . . .
H55A_1 H 0.659000 0.255635 0.314022 0.118 Uiso 1 1 calc R U . . .
H55B_1 H 0.683883 0.254172 0.394153 0.118 Uiso 1 1 calc R U . . .
H55C_1 H 0.600159 0.315594 0.370548 0.118 Uiso 1 1 calc R U . . .
C56_1 C 0.5641(7) 0.1430(7) 0.5577(7) 0.083(3) Uani 1 1 d . . . . .
H56A_1 H 0.545169 0.170057 0.603350 0.099 Uiso 1 1 calc R U . . .
H56B_1 H 0.635697 0.160847 0.526123 0.099 Uiso 1 1 calc R U . . .
C57_1 C 0.5485(12) 0.0407(10) 0.5911(11) 0.165(7) Uani 1 1 d . . . . .
H57A_1 H 0.553134 0.014566 0.546869 0.248 Uiso 1 1 calc R U . . .
H57B_1 H 0.482170 0.023748 0.632666 0.248 Uiso 1 1 calc R U . . .
H57C_1 H 0.600073 0.018207 0.615129 0.248 Uiso 1 1 calc R U . . .
C58_1 C 0.0720(5) 0.1983(5) 0.5580(4) 0.0421(17) Uani 1 1 d . . . . .
O59_1 O 0.0580(3) 0.1860(3) 0.6311(3) 0.0467(12) Uani 1 1 d . . . . .
N60_1 N -0.0008(4) 0.1792(4) 0.5324(4) 0.0481(15) Uani 1 1 d . . . . .
C61_1 C 0.0129(6) 0.1737(5) 0.4501(5) 0.057(2) Uani 1 1 d . . . . .
H61A_1 H -0.017102 0.114966 0.453833 0.068 Uiso 1 1 calc R U . . .
H61B_1 H 0.085353 0.177158 0.419577 0.068 Uiso 1 1 calc R U . . .
C62_1 C -0.0355(7) 0.2492(7) 0.4040(6) 0.086(3) Uani 1 1 d . . . . .
H62A_1 H -0.034451 0.237897 0.353319 0.129 Uiso 1 1 calc R U . . .
H62B_1 H 0.001856 0.306716 0.391647 0.129 Uiso 1 1 calc R U . . .
H62C_1 H -0.104984 0.251326 0.437578 0.129 Uiso 1 1 calc R U . . .
C63_1 C -0.0998(6) 0.1470(6) 0.5939(6) 0.072(3) Uani 1 1 d . . . . .
H63A_1 H -0.114102 0.181564 0.634065 0.087 Uiso 1 1 calc R U . . .
H63B_1 H -0.151508 0.158041 0.567244 0.087 Uiso 1 1 calc R U . . .
C64_1 C -0.1060(7) 0.0512(6) 0.6361(6) 0.091(3) Uani 1 1 d . . . . .
H64A_1 H -0.174016 0.032136 0.674345 0.136 Uiso 1 1 calc R U . . .
H64B_1 H -0.058279 0.040479 0.665888 0.136 Uiso 1 1 calc R U . . .
H64C_1 H -0.089891 0.016720 0.596458 0.136 Uiso 1 1 calc R U . . .
Pt65_1 Pt 0.40849(2) 0.54533(2) 0.13909(2) 0.04275(11) Uani 1 1 d . . . . .
La66_1 La 0.18958(3) 0.12779(3) 0.69383(2) 0.04997(14) Uani 1 1 d . . . . .
Cl1_2 Cl 0.2270(2) 0.31149(18) 0.92064(16) 0.0857(8) Uani 1 1 d . . . . .
O2_2 O 0.1614(8) 0.3340(8) 0.9853(6) 0.188(6) Uani 1 1 d . . . . .
O3_2 O 0.2828(8) 0.2385(7) 0.9508(7) 0.160(5) Uani 1 1 d . . . . .
O4_2 O 0.3002(5) 0.3830(5) 0.8674(4) 0.091(2) Uani 1 1 d . . . . .
O5_2 O 0.1771(5) 0.2804(4) 0.8767(4) 0.084(2) Uani 1 1 d . . . . .
Cl6_2 Cl 0.21193(17) -0.01309(15) 0.56356(17) 0.0724(6) Uani 1 1 d . . . . .
O7_2 O 0.2050(5) -0.1074(4) 0.5774(5) 0.090(2) Uani 1 1 d . . . . .
O8_2 O 0.1396(6) 0.0095(4) 0.6322(4) 0.091(2) Uani 1 1 d . . . . .
O9_2 O 0.1895(6) 0.0300(5) 0.4926(4) 0.090(2) Uani 1 1 d . . . . .
O10_2 O 0.3075(6) 0.0192(4) 0.5579(7) 0.125(4) Uani 1 1 d . . . . .
Cl11_2 Cl 0.3032(2) -0.0786(2) 0.7927(2) 0.1124(12) Uani 1 1 d . . . . .
O12_2 O 0.2624(9) -0.0156(5) 0.7493(6) 0.142(4) Uani 1 1 d . . . . .
O13_2 O 0.268(2) -0.1010(10) 0.8689(8) 0.350(15) Uani 1 1 d . . . . .
O14_2 O 0.3434(13) -0.1444(9) 0.7731(11) 0.245(8) Uani 1 1 d . . . . .
O15_2 O 0.3753(14) -0.0132(16) 0.790(2) 0.57(3) Uani 1 1 d . . . . .
O2_3 O 0.2492(6) 0.1448(5) 0.8061(4) 0.097(2) Uani 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
N1_1 C2_1 1.318(10) . ?
N1_1 C10_1 1.366(8) . ?
N1_1 Pt65_1 2.066(6) . ?
C2_1 C3_1 1.362(10) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.394(11) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C9_1 1.385(11) . ?
C4_1 C5_1 1.501(11) . ?
C5_1 C8_1 1.484(15) . ?
C5_1 C6_1 1.504(14) . ?
C5_1 C7_1 1.530(16) . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6AB_1 0.9800 . ?
C6_1 H6AC_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7AB_1 0.9800 . ?
C7_1 H7AC_1 0.9800 . ?
C8_1 H8A_1 0.9800 . ?
C8_1 H8AB_1 0.9800 . ?
C8_1 H8AC_1 0.9800 . ?
C9_1 C10_1 1.395(9) . ?
C9_1 H9_1 0.9500 . ?
C10_1 C11_1 1.462(11) . ?
C11_1 N20_1 1.367(8) . ?
C11_1 C12_1 1.395(10) . ?
C12_1 C13_1 1.376(11) . ?
C12_1 H12_1 0.9500 . ?
C13_1 C18_1 1.393(10) . ?
C13_1 C14_1 1.521(10) . ?
C14_1 C17_1 1.494(11) . ?
C14_1 C16_1 1.535(12) . ?
C14_1 C15_1 1.547(10) . ?
C15_1 H15A_1 0.9800 . ?
C15_1 H15B_1 0.9800 . ?
C15_1 H15C_1 0.9800 . ?
C16_1 H16A_1 0.9800 . ?
C16_1 H16B_1 0.9800 . ?
C16_1 H16C_1 0.9800 . ?
C17_1 H17A_1 0.9800 . ?
C17_1 H17B_1 0.9800 . ?
C17_1 H17C_1 0.9800 . ?
C18_1 C19_1 1.395(10) . ?
C18_1 H18_1 0.9500 . ?
C19_1 N20_1 1.339(9) . ?
C19_1 H19_1 0.9500 . ?
N20_1 Pt65_1 2.038(6) . ?
C21_1 C22_1 1.210(10) . ?
C21_1 Pt65_1 1.944(7) . ?
C22_1 C23_1 1.424(10) . ?
C23_1 C24_1 1.387(10) . ?
C23_1 C27_1 1.403(9) . ?
C24_1 C25_1 1.384(10) . ?
C24_1 H24_1 0.9500 . ?
C25_1 N26_1 1.338(9) . ?
C25_1 C36_1 1.531(10) . ?
N26_1 C28_1 1.348(8) . ?
N26_1 La66_1 2.706(5) 2_566 ?
C27_1 C28_1 1.374(9) . ?
C27_1 H27_1 0.9500 . ?
C28_1 C29_1 1.521(9) . ?
C29_1 O30_1 1.261(8) . ?
C29_1 N31_1 1.317(9) . ?
O30_1 La66_1 2.492(5) 2_566 ?
N31_1 C34_1 1.472(9) . ?
N31_1 C32_1 1.473(9) . ?
C32_1 C33_1 1.477(10) . ?
C32_1 H32A_1 0.9900 . ?
C32_1 H32B_1 0.9900 . ?
C33_1 H33A_1 0.9800 . ?
C33_1 H33B_1 0.9800 . ?
C33_1 H33C_1 0.9800 . ?
C34_1 C35_1 1.434(16) . ?
C34_1 H34A_1 0.9900 . ?
C34_1 H34B_1 0.9900 . ?
C35_1 H35A_1 0.9800 . ?
C35_1 H35B_1 0.9800 . ?
C35_1 H35C_1 0.9800 . ?
C36_1 O37_1 1.248(9) . ?
C36_1 N38_1 1.328(9) . ?
O37_1 La66_1 2.508(5) 2_566 ?
N38_1 C39_1 1.455(9) . ?
N38_1 C41_1 1.479(10) . ?
C39_1 C40_1 1.535(11) . ?
C39_1 H39A_1 0.9900 . ?
C39_1 H39B_1 0.9900 . ?
C40_1 H40A_1 0.9800 . ?
C40_1 H40B_1 0.9800 . ?
C40_1 H40C_1 0.9800 . ?
C42_1 C41_1 1.494(12) . ?
C42_1 H42A_1 0.9800 . ?
C42_1 H42B_1 0.9800 . ?
C42_1 H42C_1 0.9800 . ?
C41_1 H41A_1 0.9900 . ?
C41_1 H41B_1 0.9900 . ?
C43_1 C44_1 1.212(9) . ?
C43_1 Pt65_1 1.936(7) . ?
C44_1 C45_1 1.421(9) . ?
C45_1 C50_1 1.407(10) . ?
C45_1 C46_1 1.408(9) . ?
C46_1 C47_1 1.387(9) . ?
C46_1 H46_1 0.9500 . ?
C47_1 N48_1 1.340(9) . ?
C47_1 C58_1 1.514(9) . ?
N48_1 C49_1 1.354(8) . ?
N48_1 La66_1 2.644(5) . ?
C49_1 C50_1 1.367(10) . ?
C49_1 C51_1 1.469(10) . ?
C50_1 H50_1 0.9500 . ?
C51_1 O52_1 1.257(9) . ?
C51_1 N53_1 1.333(9) . ?
O52_1 La66_1 2.495(5) . ?
N53_1 C54_1 1.460(9) . ?
N53_1 C56_1 1.480(11) . ?
C54_1 C55_1 1.551(11) . ?
C54_1 H54A_1 0.9900 . ?
C54_1 H54B_1 0.9900 . ?
C55_1 H55A_1 0.9800 . ?
C55_1 H55B_1 0.9800 . ?
C55_1 H55C_1 0.9800 . ?
C56_1 C57_1 1.530(17) . ?
C56_1 H56A_1 0.9900 . ?
C56_1 H56B_1 0.9900 . ?
C57_1 H57A_1 0.9800 . ?
C57_1 H57B_1 0.9800 . ?
C57_1 H57C_1 0.9800 . ?
C58_1 O59_1 1.237(8) . ?
C58_1 N60_1 1.330(9) . ?
O59_1 La66_1 2.518(5) . ?
N60_1 C61_1 1.470(10) . ?
N60_1 C63_1 1.472(9) . ?
C61_1 C62_1 1.533(12) . ?
C61_1 H61A_1 0.9900 . ?
C61_1 H61B_1 0.9900 . ?
C62_1 H62A_1 0.9800 . ?
C62_1 H62B_1 0.9800 . ?
C62_1 H62C_1 0.9800 . ?
C63_1 C64_1 1.465(12) . ?
C63_1 H63A_1 0.9900 . ?
C63_1 H63B_1 0.9900 . ?
C64_1 H64A_1 0.9800 . ?
C64_1 H64B_1 0.9800 . ?
C64_1 H64C_1 0.9800 . ?
La66_1 O2_3 2.525(7) . ?
La66_1 O12_2 2.528(6) . ?
La66_1 O8_2 2.616(7) . ?
Cl1_2 O2_2 1.368(9) . ?
Cl1_2 O5_2 1.402(6) . ?
Cl1_2 O4_2 1.430(6) . ?
Cl1_2 O3_2 1.454(10) . ?
Cl6_2 O9_2 1.412(7) . ?
Cl6_2 O10_2 1.415(7) . ?
Cl6_2 O7_2 1.416(6) . ?
Cl6_2 O8_2 1.459(7) . ?
Cl11_2 O14_2 1.243(11) . ?
Cl11_2 O13_2 1.255(14) . ?
Cl11_2 O12_2 1.328(7) . ?
Cl11_2 O15_2 1.44(3) . ?

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
C2_1 N1_1 C10_1 118.5(6) . . ?
C2_1 N1_1 Pt65_1 126.9(5) . . ?
C10_1 N1_1 Pt65_1 114.6(5) . . ?
N1_1 C2_1 C3_1 123.5(7) . . ?
N1_1 C2_1 H2_1 118.2 . . ?
C3_1 C2_1 H2_1 118.2 . . ?
C2_1 C3_1 C4_1 120.9(8) . . ?
C2_1 C3_1 H3_1 119.6 . . ?
C4_1 C3_1 H3_1 119.6 . . ?
C9_1 C4_1 C3_1 115.4(7) . . ?
C9_1 C4_1 C5_1 123.1(8) . . ?
C3_1 C4_1 C5_1 121.6(8) . . ?
C8_1 C5_1 C4_1 108.0(9) . . ?
C8_1 C5_1 C6_1 110.8(10) . . ?
C4_1 C5_1 C6_1 113.8(9) . . ?
C8_1 C5_1 C7_1 112.1(13) . . ?
C4_1 C5_1 C7_1 107.2(8) . . ?
C6_1 C5_1 C7_1 105.0(9) . . ?
C5_1 C6_1 H6A_1 109.5 . . ?
C5_1 C6_1 H6AB_1 109.5 . . ?
H6A_1 C6_1 H6AB_1 109.5 . . ?
C5_1 C6_1 H6AC_1 109.5 . . ?
H6A_1 C6_1 H6AC_1 109.5 . . ?
H6AB_1 C6_1 H6AC_1 109.5 . . ?
C5_1 C7_1 H7A_1 109.5 . . ?
C5_1 C7_1 H7AB_1 109.5 . . ?
H7A_1 C7_1 H7AB_1 109.5 . . ?
C5_1 C7_1 H7AC_1 109.5 . . ?
H7A_1 C7_1 H7AC_1 109.5 . . ?
H7AB_1 C7_1 H7AC_1 109.5 . . ?
C5_1 C8_1 H8A_1 109.5 . . ?
C5_1 C8_1 H8AB_1 109.5 . . ?
H8A_1 C8_1 H8AB_1 109.5 . . ?
C5_1 C8_1 H8AC_1 109.5 . . ?
H8A_1 C8_1 H8AC_1 109.5 . . ?
H8AB_1 C8_1 H8AC_1 109.5 . . ?
C4_1 C9_1 C10_1 122.0(7) . . ?
C4_1 C9_1 H9_1 119.0 . . ?
C10_1 C9_1 H9_1 119.0 . . ?
N1_1 C10_1 C9_1 119.7(7) . . ?
N1_1 C10_1 C11_1 115.6(6) . . ?
C9_1 C10_1 C11_1 124.6(6) . . ?
N20_1 C11_1 C12_1 121.1(7) . . ?
N20_1 C11_1 C10_1 114.3(6) . . ?
C12_1 C11_1 C10_1 124.5(6) . . ?
C13_1 C12_1 C11_1 120.9(6) . . ?
C13_1 C12_1 H12_1 119.5 . . ?
C11_1 C12_1 H12_1 119.5 . . ?
C12_1 C13_1 C18_1 117.3(7) . . ?
C12_1 C13_1 C14_1 123.4(6) . . ?
C18_1 C13_1 C14_1 119.3(7) . . ?
C17_1 C14_1 C13_1 111.9(6) . . ?
C17_1 C14_1 C16_1 109.3(8) . . ?
C13_1 C14_1 C16_1 106.5(6) . . ?
C17_1 C14_1 C15_1 109.3(6) . . ?
C13_1 C14_1 C15_1 111.8(7) . . ?
C16_1 C14_1 C15_1 107.9(7) . . ?
C14_1 C15_1 H15A_1 109.5 . . ?
C14_1 C15_1 H15B_1 109.5 . . ?
H15A_1 C15_1 H15B_1 109.5 . . ?
C14_1 C15_1 H15C_1 109.5 . . ?
H15A_1 C15_1 H15C_1 109.5 . . ?
H15B_1 C15_1 H15C_1 109.5 . . ?
C14_1 C16_1 H16A_1 109.5 . . ?
C14_1 C16_1 H16B_1 109.5 . . ?
H16A_1 C16_1 H16B_1 109.5 . . ?
C14_1 C16_1 H16C_1 109.5 . . ?
H16A_1 C16_1 H16C_1 109.5 . . ?
H16B_1 C16_1 H16C_1 109.5 . . ?
C14_1 C17_1 H17A_1 109.5 . . ?
C14_1 C17_1 H17B_1 109.5 . . ?
H17A_1 C17_1 H17B_1 109.5 . . ?
C14_1 C17_1 H17C_1 109.5 . . ?
H17A_1 C17_1 H17C_1 109.5 . . ?
H17B_1 C17_1 H17C_1 109.5 . . ?
C13_1 C18_1 C19_1 120.0(8) . . ?
C13_1 C18_1 H18_1 120.0 . . ?
C19_1 C18_1 H18_1 120.0 . . ?
N20_1 C19_1 C18_1 122.3(7) . . ?
N20_1 C19_1 H19_1 118.9 . . ?
C18_1 C19_1 H19_1 118.9 . . ?
C19_1 N20_1 C11_1 118.3(6) . . ?
C19_1 N20_1 Pt65_1 125.5(4) . . ?
C11_1 N20_1 Pt65_1 116.2(5) . . ?
C22_1 C21_1 Pt65_1 178.9(6) . . ?
C21_1 C22_1 C23_1 173.4(8) . . ?
C24_1 C23_1 C27_1 118.6(6) . . ?
C24_1 C23_1 C22_1 120.6(6) . . ?
C27_1 C23_1 C22_1 120.9(7) . . ?
C25_1 C24_1 C23_1 118.9(7) . . ?
C25_1 C24_1 H24_1 120.5 . . ?
C23_1 C24_1 H24_1 120.5 . . ?
N26_1 C25_1 C24_1 123.1(6) . . ?
N26_1 C25_1 C36_1 112.0(7) . . ?
C24_1 C25_1 C36_1 124.4(7) . . ?
C25_1 N26_1 C28_1 117.4(6) . . ?
C25_1 N26_1 La66_1 117.1(5) . 2_566 ?
C28_1 N26_1 La66_1 117.0(4) . 2_566 ?
C28_1 C27_1 C23_1 118.2(6) . . ?
C28_1 C27_1 H27_1 120.9 . . ?
C23_1 C27_1 H27_1 120.9 . . ?
N26_1 C28_1 C27_1 123.7(6) . . ?
N26_1 C28_1 C29_1 111.3(6) . . ?
C27_1 C28_1 C29_1 124.8(6) . . ?
O30_1 C29_1 N31_1 121.5(6) . . ?
O30_1 C29_1 C28_1 115.2(6) . . ?
N31_1 C29_1 C28_1 123.2(6) . . ?
C29_1 O30_1 La66_1 126.7(4) . 2_566 ?
C29_1 N31_1 C34_1 117.7(7) . . ?
C29_1 N31_1 C32_1 125.9(6) . . ?
C34_1 N31_1 C32_1 114.9(7) . . ?
N31_1 C32_1 C33_1 114.1(7) . . ?
N31_1 C32_1 H32A_1 108.7 . . ?
C33_1 C32_1 H32A_1 108.7 . . ?
N31_1 C32_1 H32B_1 108.7 . . ?
C33_1 C32_1 H32B_1 108.7 . . ?
H32A_1 C32_1 H32B_1 107.6 . . ?
C32_1 C33_1 H33A_1 109.5 . . ?
C32_1 C33_1 H33B_1 109.5 . . ?
H33A_1 C33_1 H33B_1 109.5 . . ?
C32_1 C33_1 H33C_1 109.5 . . ?
H33A_1 C33_1 H33C_1 109.5 . . ?
H33B_1 C33_1 H33C_1 109.5 . . ?
C35_1 C34_1 N31_1 114.7(12) . . ?
C35_1 C34_1 H34A_1 108.6 . . ?
N31_1 C34_1 H34A_1 108.6 . . ?
C35_1 C34_1 H34B_1 108.6 . . ?
N31_1 C34_1 H34B_1 108.6 . . ?
H34A_1 C34_1 H34B_1 107.6 . . ?
C34_1 C35_1 H35A_1 109.5 . . ?
C34_1 C35_1 H35B_1 109.5 . . ?
H35A_1 C35_1 H35B_1 109.5 . . ?
C34_1 C35_1 H35C_1 109.5 . . ?
H35A_1 C35_1 H35C_1 109.5 . . ?
H35B_1 C35_1 H35C_1 109.5 . . ?
O37_1 C36_1 N38_1 122.8(7) . . ?
O37_1 C36_1 C25_1 115.5(6) . . ?
N38_1 C36_1 C25_1 121.7(7) . . ?
C36_1 O37_1 La66_1 127.8(5) . 2_566 ?
C36_1 N38_1 C39_1 127.0(7) . . ?
C36_1 N38_1 C41_1 116.4(7) . . ?
C39_1 N38_1 C41_1 115.7(7) . . ?
N38_1 C39_1 C40_1 111.4(8) . . ?
N38_1 C39_1 H39A_1 109.3 . . ?
C40_1 C39_1 H39A_1 109.3 . . ?
N38_1 C39_1 H39B_1 109.3 . . ?
C40_1 C39_1 H39B_1 109.3 . . ?
H39A_1 C39_1 H39B_1 108.0 . . ?
C39_1 C40_1 H40A_1 109.5 . . ?
C39_1 C40_1 H40B_1 109.5 . . ?
H40A_1 C40_1 H40B_1 109.5 . . ?
C39_1 C40_1 H40C_1 109.5 . . ?
H40A_1 C40_1 H40C_1 109.5 . . ?
H40B_1 C40_1 H40C_1 109.5 . . ?
C41_1 C42_1 H42A_1 109.5 . . ?
C41_1 C42_1 H42B_1 109.5 . . ?
H42A_1 C42_1 H42B_1 109.5 . . ?
C41_1 C42_1 H42C_1 109.5 . . ?
H42A_1 C42_1 H42C_1 109.5 . . ?
H42B_1 C42_1 H42C_1 109.5 . . ?
N38_1 C41_1 C42_1 109.9(8) . . ?
N38_1 C41_1 H41A_1 109.7 . . ?
C42_1 C41_1 H41A_1 109.7 . . ?
N38_1 C41_1 H41B_1 109.7 . . ?
C42_1 C41_1 H41B_1 109.7 . . ?
H41A_1 C41_1 H41B_1 108.2 . . ?
C44_1 C43_1 Pt65_1 177.0(6) . . ?
C43_1 C44_1 C45_1 176.7(7) . . ?
C50_1 C45_1 C46_1 117.7(6) . . ?
C50_1 C45_1 C44_1 121.2(6) . . ?
C46_1 C45_1 C44_1 121.1(7) . . ?
C47_1 C46_1 C45_1 117.6(7) . . ?
C47_1 C46_1 H46_1 121.2 . . ?
C45_1 C46_1 H46_1 121.2 . . ?
N48_1 C47_1 C46_1 124.0(6) . . ?
N48_1 C47_1 C58_1 110.6(5) . . ?
C46_1 C47_1 C58_1 125.2(6) . . ?
C47_1 N48_1 C49_1 118.4(6) . . ?
C47_1 N48_1 La66_1 119.8(4) . . ?
C49_1 N48_1 La66_1 119.1(4) . . ?
N48_1 C49_1 C50_1 121.4(6) . . ?
N48_1 C49_1 C51_1 111.8(6) . . ?
C50_1 C49_1 C51_1 126.5(6) . . ?
C49_1 C50_1 C45_1 120.7(6) . . ?
C49_1 C50_1 H50_1 119.7 . . ?
C45_1 C50_1 H50_1 119.7 . . ?
O52_1 C51_1 N53_1 120.0(7) . . ?
O52_1 C51_1 C49_1 117.6(6) . . ?
N53_1 C51_1 C49_1 122.4(7) . . ?
C51_1 O52_1 La66_1 123.9(5) . . ?
C51_1 N53_1 C54_1 126.2(7) . . ?
C51_1 N53_1 C56_1 118.0(7) . . ?
C54_1 N53_1 C56_1 115.2(6) . . ?
N53_1 C54_1 C55_1 114.1(7) . . ?
N53_1 C54_1 H54A_1 108.7 . . ?
C55_1 C54_1 H54A_1 108.7 . . ?
N53_1 C54_1 H54B_1 108.7 . . ?
C55_1 C54_1 H54B_1 108.7 . . ?
H54A_1 C54_1 H54B_1 107.6 . . ?
C54_1 C55_1 H55A_1 109.5 . . ?
C54_1 C55_1 H55B_1 109.5 . . ?
H55A_1 C55_1 H55B_1 109.5 . . ?
C54_1 C55_1 H55C_1 109.5 . . ?
H55A_1 C55_1 H55C_1 109.5 . . ?
H55B_1 C55_1 H55C_1 109.5 . . ?
N53_1 C56_1 C57_1 110.6(10) . . ?
N53_1 C56_1 H56A_1 109.5 . . ?
C57_1 C56_1 H56A_1 109.5 . . ?
N53_1 C56_1 H56B_1 109.5 . . ?
C57_1 C56_1 H56B_1 109.5 . . ?
H56A_1 C56_1 H56B_1 108.1 . . ?
C56_1 C57_1 H57A_1 109.5 . . ?
C56_1 C57_1 H57B_1 109.5 . . ?
H57A_1 C57_1 H57B_1 109.5 . . ?
C56_1 C57_1 H57C_1 109.5 . . ?
H57A_1 C57_1 H57C_1 109.5 . . ?
H57B_1 C57_1 H57C_1 109.5 . . ?
O59_1 C58_1 N60_1 121.2(6) . . ?
O59_1 C58_1 C47_1 116.2(7) . . ?
N60_1 C58_1 C47_1 122.6(6) . . ?
C58_1 O59_1 La66_1 122.1(4) . . ?
C58_1 N60_1 C61_1 125.3(6) . . ?
C58_1 N60_1 C63_1 117.5(7) . . ?
C61_1 N60_1 C63_1 116.5(7) . . ?
N60_1 C61_1 C62_1 111.9(8) . . ?
N60_1 C61_1 H61A_1 109.2 . . ?
C62_1 C61_1 H61A_1 109.2 . . ?
N60_1 C61_1 H61B_1 109.2 . . ?
C62_1 C61_1 H61B_1 109.2 . . ?
H61A_1 C61_1 H61B_1 107.9 . . ?
C61_1 C62_1 H62A_1 109.5 . . ?
C61_1 C62_1 H62B_1 109.5 . . ?
H62A_1 C62_1 H62B_1 109.5 . . ?
C61_1 C62_1 H62C_1 109.5 . . ?
H62A_1 C62_1 H62C_1 109.5 . . ?
H62B_1 C62_1 H62C_1 109.5 . . ?
C64_1 C63_1 N60_1 112.4(7) . . ?
C64_1 C63_1 H63A_1 109.1 . . ?
N60_1 C63_1 H63A_1 109.1 . . ?
C64_1 C63_1 H63B_1 109.1 . . ?
N60_1 C63_1 H63B_1 109.1 . . ?
H63A_1 C63_1 H63B_1 107.9 . . ?
C63_1 C64_1 H64A_1 109.5 . . ?
C63_1 C64_1 H64B_1 109.5 . . ?
H64A_1 C64_1 H64B_1 109.5 . . ?
C63_1 C64_1 H64C_1 109.5 . . ?
H64A_1 C64_1 H64C_1 109.5 . . ?
H64B_1 C64_1 H64C_1 109.5 . . ?
C43_1 Pt65_1 C21_1 89.6(3) . . ?
C43_1 Pt65_1 N20_1 95.2(2) . . ?
C21_1 Pt65_1 N20_1 175.2(2) . . ?
C43_1 Pt65_1 N1_1 174.3(3) . . ?
C21_1 Pt65_1 N1_1 96.0(2) . . ?
N20_1 Pt65_1 N1_1 79.2(2) . . ?
O30_1 La66_1 O52_1 73.08(16) 2_566 . ?
O30_1 La66_1 O37_1 121.52(16) 2_566 2_566 ?
O52_1 La66_1 O37_1 159.97(18) . 2_566 ?
O30_1 La66_1 O59_1 76.22(17) 2_566 . ?
O52_1 La66_1 O59_1 120.85(15) . . ?
O37_1 La66_1 O59_1 78.00(17) 2_566 . ?
O30_1 La66_1 O2_3 77.4(2) 2_566 . ?
O52_1 La66_1 O2_3 80.0(2) . . ?
O37_1 La66_1 O2_3 89.6(2) 2_566 . ?
O59_1 La66_1 O2_3 138.76(19) . . ?
O30_1 La66_1 O12_2 141.5(3) 2_566 . ?
O52_1 La66_1 O12_2 80.3(3) . . ?
O37_1 La66_1 O12_2 80.1(3) 2_566 . ?
O59_1 La66_1 O12_2 142.2(3) . . ?
O2_3 La66_1 O12_2 70.9(2) . . ?
O30_1 La66_1 O8_2 139.1(2) 2_566 . ?
O52_1 La66_1 O8_2 104.9(2) . . ?
O37_1 La66_1 O8_2 73.6(2) 2_566 . ?
O59_1 La66_1 O8_2 70.21(19) . . ?
O2_3 La66_1 O8_2 143.4(2) . . ?
O12_2 La66_1 O8_2 74.2(2) . . ?
O30_1 La66_1 N48_1 70.30(17) 2_566 . ?
O52_1 La66_1 N48_1 61.30(17) . . ?
O37_1 La66_1 N48_1 133.98(19) 2_566 . ?
O59_1 La66_1 N48_1 61.14(15) . . ?
O2_3 La66_1 N48_1 135.0(2) . . ?
O12_2 La66_1 N48_1 119.6(3) . . ?
O8_2 La66_1 N48_1 73.4(2) . . ?
O30_1 La66_1 N26_1 60.99(16) 2_566 2_566 ?
O52_1 La66_1 N26_1 130.47(17) . 2_566 ?
O37_1 La66_1 N26_1 60.65(17) 2_566 2_566 ?
O59_1 La66_1 N26_1 66.38(16) . 2_566 ?
O2_3 La66_1 N26_1 73.2(2) . 2_566 ?
O12_2 La66_1 N26_1 126.1(3) . 2_566 ?
O8_2 La66_1 N26_1 121.5(2) . 2_566 ?
N48_1 La66_1 N26_1 114.29(16) . 2_566 ?
O2_2 Cl1_2 O5_2 111.7(6) . . ?
O2_2 Cl1_2 O4_2 113.1(5) . . ?
O5_2 Cl1_2 O4_2 110.0(4) . . ?
O2_2 Cl1_2 O3_2 108.8(8) . . ?
O5_2 Cl1_2 O3_2 106.9(6) . . ?
O4_2 Cl1_2 O3_2 106.0(5) . . ?
O9_2 Cl6_2 O10_2 110.6(5) . . ?
O9_2 Cl6_2 O7_2 109.9(5) . . ?
O10_2 Cl6_2 O7_2 111.8(4) . . ?
O9_2 Cl6_2 O8_2 108.7(4) . . ?
O10_2 Cl6_2 O8_2 106.7(5) . . ?
O7_2 Cl6_2 O8_2 109.1(4) . . ?
Cl6_2 O8_2 La66_1 120.6(4) . . ?
O14_2 Cl11_2 O13_2 107.0(11) . . ?
O14_2 Cl11_2 O12_2 126.4(9) . . ?
O13_2 Cl11_2 O12_2 120.1(13) . . ?
O14_2 Cl11_2 O15_2 111.9(15) . . ?
O13_2 Cl11_2 O15_2 92.6(18) . . ?
O12_2 Cl11_2 O15_2 91.0(9) . . ?
Cl11_2 O12_2 La66_1 163.9(6) . . ?

_refine_diff_density_max         1.504
_refine_diff_density_min         -1.133
_refine_diff_density_rms         0.116


# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 0.016 0.516 0.484 829 133 ' '
_platon_squeeze_details          ?
####################################################################### 
# 
# 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_mo_c68_1b_0m_a_sq_s
_database_code_depnum_ccdc_archive 'CCDC 1892890'
loop_
_audit_author_name
_audit_author_address
'Qing-Fu Sun'
;Fujian institute of research on the structure of matter-Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-01-23 deposited with the CCDC.	2019-03-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C114 H142 Eu2 F18 N18 O30 Pt2 S6'
_chemical_formula_weight         3472.91

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'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.8876(11)
_cell_length_b                   16.7086(12)
_cell_length_c                   18.0513(12)
_cell_angle_alpha                103.870(2)
_cell_angle_beta                 110.195(2)
_cell_angle_gamma                92.844(3)
_cell_volume                     4047.9(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9940
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      25.08

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_F_000             1732
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    2.649
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            111533
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_av_R_equivalents  0.0753
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.256
_diffrn_reflns_theta_max         25.196
_diffrn_reflns_theta_full        25.196
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             14503
_reflns_number_gt                11254
_reflns_threshold_expression     'I > 2σ(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.
 
 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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0416P)²+14.2505P] 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         14503
_refine_ls_number_parameters     863
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_ref         0.1046
_refine_ls_wR_factor_gt          0.0939
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
N1_1 N 0.4907(3) 0.6195(3) 0.4702(3) 0.0298(11) Uani 1 1 d . . . . .
C2_1 C 0.5571(4) 0.6887(4) 0.5010(3) 0.0319(14) Uani 1 1 d . . . . .
H2_1 H 0.596843 0.697902 0.471632 0.038 Uiso 1 1 calc R U . . .
C3_1 C 0.5691(4) 0.7463(4) 0.5735(3) 0.0361(15) Uani 1 1 d . . . . .
H3_1 H 0.615016 0.795224 0.592298 0.043 Uiso 1 1 calc R U . . .
C4_1 C 0.5142(4) 0.7332(4) 0.6196(3) 0.0347(14) Uani 1 1 d . . . . .
C5_1 C 0.5264(5) 0.7989(4) 0.6991(4) 0.0452(17) Uani 1 1 d . . . . .
C6_1 C 0.4650(6) 0.7698(5) 0.7436(4) 0.060(2) Uani 1 1 d . . . . .
H6A_1 H 0.396372 0.760987 0.708471 0.089 Uiso 1 1 calc R U . . .
H6AB_1 H 0.476093 0.812335 0.795003 0.089 Uiso 1 1 calc R U . . .
H6AC_1 H 0.483406 0.717451 0.755606 0.089 Uiso 1 1 calc R U . . .
C7_1 C 0.6329(5) 0.8140(5) 0.7555(4) 0.054(2) Uani 1 1 d . . . . .
H7A_1 H 0.653842 0.760760 0.762819 0.081 Uiso 1 1 calc R U . . .
H7AB_1 H 0.641009 0.851480 0.808954 0.081 Uiso 1 1 calc R U . . .
H7AC_1 H 0.672032 0.839271 0.730898 0.081 Uiso 1 1 calc R U . . .
C8_1 C 0.4944(6) 0.8782(4) 0.6767(5) 0.062(2) Uani 1 1 d . . . . .
H8A_1 H 0.534527 0.897523 0.649538 0.093 Uiso 1 1 calc R U . . .
H8AB_1 H 0.501704 0.921517 0.726696 0.093 Uiso 1 1 calc R U . . .
H8AC_1 H 0.426465 0.866551 0.639560 0.093 Uiso 1 1 calc R U . . .
C9_1 C 0.4461(4) 0.6607(3) 0.5871(3) 0.0286(13) Uani 1 1 d . . . . .
H9_1 H 0.406705 0.649330 0.616057 0.034 Uiso 1 1 calc R U . . .
C10_1 C 0.4362(4) 0.6065(4) 0.5141(3) 0.0283(13) Uani 1 1 d . . . . .
C11_1 C 0.3613(4) 0.5307(3) 0.4727(3) 0.0262(12) Uani 1 1 d . . . . .
C12_1 C 0.2939(4) 0.5072(4) 0.5040(3) 0.0305(13) Uani 1 1 d . . . . .
H12_1 H 0.295676 0.539327 0.555713 0.037 Uiso 1 1 calc R U . . .
C13_1 C 0.2242(4) 0.4377(4) 0.4606(3) 0.0297(13) Uani 1 1 d . . . . .
C14_1 C 0.1462(4) 0.4106(4) 0.4901(4) 0.0327(14) Uani 1 1 d . . . . .
C15_1 C 0.1590(5) 0.4651(4) 0.5748(4) 0.0395(15) Uani 1 1 d . . . . .
H15A_1 H 0.152871 0.522658 0.572447 0.059 Uiso 1 1 calc R U . . .
H15B_1 H 0.223109 0.463187 0.613942 0.059 Uiso 1 1 calc R U . . .
H15C_1 H 0.109145 0.444531 0.592417 0.059 Uiso 1 1 calc R U . . .
C16_1 C 0.1519(5) 0.3200(4) 0.4939(4) 0.0359(15) Uani 1 1 d . . . . .
H16A_1 H 0.138620 0.283756 0.438724 0.054 Uiso 1 1 calc R U . . .
H16B_1 H 0.103955 0.302647 0.515017 0.054 Uiso 1 1 calc R U . . .
H16C_1 H 0.216804 0.315892 0.530334 0.054 Uiso 1 1 calc R U . . .
C17_1 C 0.0472(5) 0.4154(4) 0.4274(4) 0.0440(16) Uani 1 1 d . . . . .
H17A_1 H 0.038543 0.378577 0.373528 0.066 Uiso 1 1 calc R U . . .
H17B_1 H 0.043992 0.472841 0.423748 0.066 Uiso 1 1 calc R U . . .
H17C_1 H -0.004089 0.397891 0.445067 0.066 Uiso 1 1 calc R U . . .
C18_1 C 0.2287(5) 0.3925(4) 0.3869(3) 0.0378(15) Uani 1 1 d . . . . .
H18_1 H 0.183430 0.343570 0.355557 0.045 Uiso 1 1 calc R U . . .
C19_1 C 0.2962(4) 0.4164(4) 0.3585(3) 0.0368(15) Uani 1 1 d . . . . .
H19_1 H 0.297148 0.383567 0.308044 0.044 Uiso 1 1 calc R U . . .
N20_1 N 0.3614(3) 0.4851(3) 0.3997(3) 0.0305(11) Uani 1 1 d . . . . .
C21_1 C 0.4177(4) 0.4467(4) 0.2560(4) 0.0362(15) Uani 1 1 d . . . . .
C22_1 C 0.3835(5) 0.3935(4) 0.1914(3) 0.0385(16) Uani 1 1 d . . . . .
C23_1 C 0.3394(5) 0.3271(4) 0.1183(3) 0.0379(15) Uani 1 1 d . . . . .
C24_1 C 0.3881(4) 0.2988(4) 0.0655(3) 0.0357(15) Uani 1 1 d . . . . .
H24_1 H 0.453298 0.321640 0.078888 0.043 Uiso 1 1 calc R U . . .
C25_1 C 0.3399(4) 0.2368(4) -0.0067(3) 0.0321(14) Uani 1 1 d . . . . .
N26_1 N 0.2483(3) 0.2021(3) -0.0283(3) 0.0336(12) Uani 1 1 d . . . . .
C27_1 C 0.2449(5) 0.2882(4) 0.0965(3) 0.0402(16) Uani 1 1 d . . . . .
H27_1 H 0.209761 0.305113 0.131153 0.048 Uiso 1 1 calc R U . . .
C28_1 C 0.2031(4) 0.2253(4) 0.0248(3) 0.0355(15) Uani 1 1 d . . . . .
C29_1 C 0.0992(4) 0.1827(4) -0.0101(4) 0.0381(15) Uani 1 1 d . . . . .
O30_1 O 0.0583(3) 0.1634(3) -0.0863(2) 0.0375(10) Uani 1 1 d . . . . .
N31_1 N 0.0557(4) 0.1656(4) 0.0387(3) 0.0508(16) Uani 1 1 d . . . . .
C32_1 C 0.1050(6) 0.1589(5) 0.1230(4) 0.063(2) Uani 1 1 d . . . . .
H32A_1 H 0.175784 0.171329 0.138018 0.076 Uiso 1 1 calc R U . . .
H32B_1 H 0.090395 0.100729 0.123800 0.076 Uiso 1 1 calc R U . . .
C33_1 C 0.0765(6) 0.2165(6) 0.1871(5) 0.086(3) Uani 1 1 d . . . . .
H33A_1 H 0.095014 0.274496 0.189677 0.129 Uiso 1 1 calc R U . . .
H33B_1 H 0.109674 0.206824 0.240741 0.129 Uiso 1 1 calc R U . . .
H33C_1 H 0.006390 0.205437 0.172352 0.129 Uiso 1 1 calc R U . . .
C34_1 C -0.0496(5) 0.1338(6) 0.0001(4) 0.063(2) Uani 1 1 d . . . . .
H34A_1 H -0.068886 0.102830 0.033853 0.075 Uiso 1 1 calc R U . . .
H34B_1 H -0.064627 0.095451 -0.055167 0.075 Uiso 1 1 calc R U . . .
C35_1 C -0.1049(7) 0.2077(8) -0.0067(6) 0.106(4) Uani 1 1 d . . . . .
H35A_1 H -0.088161 0.236169 -0.042722 0.159 Uiso 1 1 calc R U . . .
H35B_1 H -0.087526 0.246543 0.047930 0.159 Uiso 1 1 calc R U . . .
H35C_1 H -0.174566 0.187914 -0.029564 0.159 Uiso 1 1 calc R U . . .
C36_1 C 0.3761(4) 0.2090(3) -0.0760(3) 0.0293(13) Uani 1 1 d . . . . .
O37_1 O 0.3139(3) 0.1994(2) -0.1467(2) 0.0308(9) Uani 1 1 d . . . . .
N38_1 N 0.4654(3) 0.1948(3) -0.0635(3) 0.0332(12) Uani 1 1 d . . . . .
C39_1 C 0.5353(4) 0.1863(4) 0.0149(4) 0.0379(15) Uani 1 1 d . . . . .
H39A_1 H 0.556454 0.130794 0.004914 0.045 Uiso 1 1 calc R U . . .
H39B_1 H 0.502266 0.189189 0.054324 0.045 Uiso 1 1 calc R U . . .
C40_1 C 0.6246(5) 0.2531(4) 0.0534(4) 0.0451(17) Uani 1 1 d . . . . .
H40A_1 H 0.658675 0.249953 0.015260 0.068 Uiso 1 1 calc R U . . .
H40B_1 H 0.667778 0.243811 0.104626 0.068 Uiso 1 1 calc R U . . .
H40C_1 H 0.604591 0.308252 0.065001 0.068 Uiso 1 1 calc R U . . .
C41_1 C 0.4923(4) 0.1700(4) -0.1364(3) 0.0393(16) Uani 1 1 d . . . . .
H41A_1 H 0.563475 0.182240 -0.119041 0.047 Uiso 1 1 calc R U . . .
H41B_1 H 0.462824 0.203574 -0.174428 0.047 Uiso 1 1 calc R U . . .
C42_1 C 0.4597(5) 0.0781(4) -0.1813(4) 0.0493(18) Uani 1 1 d . . . . .
H42A_1 H 0.389229 0.065687 -0.198807 0.074 Uiso 1 1 calc R U . . .
H42B_1 H 0.490570 0.044525 -0.144459 0.074 Uiso 1 1 calc R U . . .
H42C_1 H 0.478111 0.064724 -0.229468 0.074 Uiso 1 1 calc R U . . .
C43_1 C 0.5583(4) 0.5837(4) 0.3292(3) 0.0343(14) Uani 1 1 d . . . . .
C44_1 C 0.6182(4) 0.6176(4) 0.3114(3) 0.0290(13) Uani 1 1 d . . . . .
C45_1 C 0.6904(4) 0.6647(4) 0.2973(3) 0.0294(13) Uani 1 1 d . . . . .
C46_1 C 0.7144(4) 0.7505(4) 0.3343(3) 0.0296(13) Uani 1 1 d . . . . .
H46_1 H 0.681488 0.777764 0.367543 0.035 Uiso 1 1 calc R U . . .
C47_1 C 0.7856(4) 0.7951(3) 0.3224(3) 0.0262(12) Uani 1 1 d . . . . .
N48_1 N 0.8294(3) 0.7609(3) 0.2712(2) 0.0189(9) Uani 1 1 d . . . . .
C49_1 C 0.7408(4) 0.6277(4) 0.2485(3) 0.0301(13) Uani 1 1 d . . . . .
H49_1 H 0.729041 0.569257 0.224156 0.036 Uiso 1 1 calc R U . . .
C50_1 C 0.8086(4) 0.6787(3) 0.2366(3) 0.0251(12) Uani 1 1 d . . . . .
C51_1 C 0.8538(4) 0.6526(4) 0.1733(4) 0.0359(15) Uani 1 1 d . . . . .
O52_1 O 0.8603(3) 0.7048(3) 0.1349(2) 0.0402(11) Uani 1 1 d . . . . .
N53_1 N 0.8843(4) 0.5791(3) 0.1571(3) 0.0439(14) Uani 1 1 d . . . . .
C54_1 C 0.9236(7) 0.5616(5) 0.0905(6) 0.086(3) Uani 1 1 d . . . . .
H54A_1 H 0.878825 0.575658 0.041838 0.103 Uiso 1 1 calc R U . . .
H54B_1 H 0.928226 0.501473 0.074502 0.103 Uiso 1 1 calc R U . . .
C56_1 C 0.9014(6) 0.5231(4) 0.2117(5) 0.0538(19) Uani 1 1 d . . . . .
H56A_1 H 0.886425 0.549287 0.260610 0.065 Uiso 1 1 calc R U . . .
H56B_1 H 0.970661 0.516243 0.230741 0.065 Uiso 1 1 calc R U . . .
C55_1 C 1.0230(12) 0.6119(10) 0.1178(12) 0.202(9) Uani 1 1 d . . . . .
H55A_1 H 1.046960 0.599577 0.072732 0.303 Uiso 1 1 calc R U . . .
H55B_1 H 1.067729 0.597078 0.165186 0.303 Uiso 1 1 calc R U . . .
H55C_1 H 1.018344 0.671495 0.133234 0.303 Uiso 1 1 calc R U . . .
C57_1 C 0.8406(7) 0.4383(5) 0.1694(6) 0.074(3) Uani 1 1 d . . . . .
H57A_1 H 0.771941 0.444704 0.150637 0.110 Uiso 1 1 calc R U . . .
H57B_1 H 0.853479 0.404014 0.208053 0.110 Uiso 1 1 calc R U . . .
H57C_1 H 0.856990 0.411165 0.122231 0.110 Uiso 1 1 calc R U . . .
C58_1 C 0.8124(4) 0.8876(4) 0.3521(3) 0.0287(13) Uani 1 1 d . . . . .
O59_1 O 0.8273(3) 0.9230(2) 0.3021(2) 0.0343(10) Uani 1 1 d . . . . .
N60_1 N 0.8193(4) 0.9311(3) 0.4262(3) 0.0343(12) Uani 1 1 d . . . . .
C61_1 C 0.8214(4) 0.8964(4) 0.4942(3) 0.0373(15) Uani 1 1 d . . . . .
H61A_1 H 0.796299 0.836129 0.472404 0.045 Uiso 1 1 calc R U . . .
H61B_1 H 0.778786 0.923913 0.520925 0.045 Uiso 1 1 calc R U . . .
C62_1 C 0.9241(5) 0.9090(4) 0.5578(4) 0.0481(17) Uani 1 1 d . . . . .
H62A_1 H 0.965016 0.877531 0.532682 0.072 Uiso 1 1 calc R U . . .
H62B_1 H 0.922679 0.889271 0.604313 0.072 Uiso 1 1 calc R U . . .
H62C_1 H 0.950506 0.968389 0.577010 0.072 Uiso 1 1 calc R U . . .
C63_1 C 0.8307(5) 1.0226(4) 0.4453(4) 0.0404(16) Uani 1 1 d . . . . .
H63A_1 H 0.877167 1.042172 0.422974 0.048 Uiso 1 1 calc R U . . .
H63B_1 H 0.857355 1.046816 0.505580 0.048 Uiso 1 1 calc R U . . .
C64_1 C 0.7344(6) 1.0523(5) 0.4089(5) 0.065(2) Uani 1 1 d . . . . .
H64A_1 H 0.710285 1.031555 0.348914 0.098 Uiso 1 1 calc R U . . .
H64B_1 H 0.743242 1.113333 0.424953 0.098 Uiso 1 1 calc R U . . .
H64C_1 H 0.687721 1.031109 0.429318 0.098 Uiso 1 1 calc R U . . .
Pt65_1 Pt 0.46114(2) 0.53205(2) 0.35977(2) 0.02853(8) Uani 1 1 d . . . . .
Eu66_1 Eu 0.85648(2) 0.85259(2) 0.18222(2) 0.02852(9) Uani 1 1 d . . . . .
S1_2 S 0.74988(12) 1.03845(10) 0.11669(9) 0.0371(4) Uani 1 1 d . . . . .
O2_2 O 0.7569(3) 0.9595(3) 0.1370(2) 0.0354(10) Uani 1 1 d . . . . .
O3_2 O 0.6733(4) 1.0801(3) 0.1306(3) 0.0507(12) Uani 1 1 d . . . . .
O4_2 O 0.8430(3) 1.0895(3) 0.1438(3) 0.0467(12) Uani 1 1 d . . . . .
C5_2 C 0.7136(5) 1.0061(4) 0.0054(4) 0.0406(16) Uani 1 1 d . . . . .
F6_2 F 0.6299(3) 0.9550(3) -0.0297(2) 0.0594(11) Uani 1 1 d . . . . .
F7_2 F 0.7023(3) 1.0716(2) -0.0253(2) 0.0499(10) Uani 1 1 d . . . . .
F8_2 F 0.7798(3) 0.9672(3) -0.0169(2) 0.0584(11) Uani 1 1 d . . . . .
S9_2 S 1.22368(12) 1.00004(11) 0.30755(10) 0.0429(4) Uani 1 1 d . . . . .
O10_2 O 1.1877(3) 0.9452(3) 0.3448(3) 0.0495(12) Uani 1 1 d . . . . .
O11_2 O 1.1497(4) 1.0291(4) 0.2492(4) 0.0789(19) Uani 1 1 d . . . . .
O12_2 O 1.3022(4) 1.0626(3) 0.3630(3) 0.0624(15) Uani 1 1 d . . . . .
C13_2 C 1.2765(7) 0.9331(6) 0.2442(5) 0.074(3) Uani 1 1 d . . . . .
F14_2 F 1.2121(5) 0.8670(4) 0.1955(4) 0.121(2) Uani 1 1 d . . . . .
F15_2 F 1.3015(4) 0.9741(4) 0.1965(3) 0.105(2) Uani 1 1 d . . . . .
F16_2 F 1.3535(5) 0.9083(4) 0.2876(4) 0.120(2) Uani 1 1 d . . . . .
S17_2 S 1.07751(12) 0.70240(11) 0.40790(11) 0.0435(4) Uani 1 1 d . . . . .
O18_2 O 1.0600(5) 0.6263(4) 0.4256(4) 0.098(2) Uani 1 1 d . . . . .
O19_2 O 1.0436(4) 0.6994(3) 0.3222(3) 0.0591(14) Uani 1 1 d . . . . .
O20_2 O 1.0634(5) 0.7764(4) 0.4595(4) 0.086(2) Uani 1 1 d . . . . .
C21_2 C 1.2067(7) 0.7171(6) 0.4343(6) 0.070(2) Uani 1 1 d . . . . .
F22_2 F 1.2330(5) 0.6528(5) 0.3920(4) 0.134(3) Uani 1 1 d . . . . .
F23_2 F 1.2516(4) 0.7239(4) 0.5150(4) 0.108(2) Uani 1 1 d . . . . .
F24_2 F 1.2346(4) 0.7866(5) 0.4210(5) 0.137(3) Uani 1 1 d . . . . .
O25_2 O 1.0139(3) 0.8402(3) 0.2727(2) 0.0401(10) Uani 1 1 d . . . . .
O26_2 O 0.9591(3) 0.9855(3) 0.2195(2) 0.0382(10) Uani 1 1 d . . . . .
C1_3 C 0.8605(7) 0.2114(6) 0.3321(5) 0.072(2) Uani 1 1 d . . . . .
H1A_3 H 0.911183 0.208603 0.308777 0.108 Uiso 1 1 calc R U . . .
H1AB_3 H 0.817366 0.158142 0.309429 0.108 Uiso 1 1 calc R U . . .
H1AC_3 H 0.890322 0.222913 0.391880 0.108 Uiso 1 1 calc R U . . .
C2_3 C 0.8052(7) 0.2778(6) 0.3115(5) 0.068(2) Uani 1 1 d . . . . .
N3_3 N 0.7617(6) 0.3310(6) 0.2957(5) 0.086(2) Uani 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
N1_1 C2_1 1.350(7) . ?
N1_1 C10_1 1.358(7) . ?
N1_1 Pt65_1 2.058(4) . ?
C2_1 C3_1 1.373(8) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.396(8) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C9_1 1.401(8) . ?
C4_1 C5_1 1.531(8) . ?
C5_1 C8_1 1.527(10) . ?
C5_1 C7_1 1.528(10) . ?
C5_1 C6_1 1.539(9) . ?
C6_1 H6A_1 0.9800 . ?
C6_1 H6AB_1 0.9800 . ?
C6_1 H6AC_1 0.9800 . ?
C7_1 H7A_1 0.9800 . ?
C7_1 H7AB_1 0.9800 . ?
C7_1 H7AC_1 0.9800 . ?
C8_1 H8A_1 0.9800 . ?
C8_1 H8AB_1 0.9800 . ?
C8_1 H8AC_1 0.9800 . ?
C9_1 C10_1 1.363(7) . ?
C9_1 H9_1 0.9500 . ?
C10_1 C11_1 1.496(8) . ?
C11_1 N20_1 1.355(7) . ?
C11_1 C12_1 1.392(7) . ?
C12_1 C13_1 1.387(8) . ?
C12_1 H12_1 0.9500 . ?
C13_1 C18_1 1.389(8) . ?
C13_1 C14_1 1.525(7) . ?
C14_1 C15_1 1.523(8) . ?
C14_1 C16_1 1.536(8) . ?
C14_1 C17_1 1.538(9) . ?
C15_1 H15A_1 0.9800 . ?
C15_1 H15B_1 0.9800 . ?
C15_1 H15C_1 0.9800 . ?
C16_1 H16A_1 0.9800 . ?
C16_1 H16B_1 0.9800 . ?
C16_1 H16C_1 0.9800 . ?
C17_1 H17A_1 0.9800 . ?
C17_1 H17B_1 0.9800 . ?
C17_1 H17C_1 0.9800 . ?
C18_1 C19_1 1.359(8) . ?
C18_1 H18_1 0.9500 . ?
C19_1 N20_1 1.339(7) . ?
C19_1 H19_1 0.9500 . ?
N20_1 Pt65_1 2.058(4) . ?
C21_1 C22_1 1.206(8) . ?
C21_1 Pt65_1 1.938(6) . ?
C22_1 C23_1 1.426(8) . ?
C23_1 C24_1 1.398(8) . ?
C23_1 C27_1 1.400(8) . ?
C24_1 C25_1 1.385(8) . ?
C24_1 H24_1 0.9500 . ?
C25_1 N26_1 1.340(7) . ?
C25_1 C36_1 1.512(7) . ?
N26_1 C28_1 1.346(7) . ?
N26_1 Eu66_1 2.577(5) 2_665 ?
C27_1 C28_1 1.376(8) . ?
C27_1 H27_1 0.9500 . ?
C28_1 C29_1 1.517(8) . ?
C29_1 O30_1 1.248(7) . ?
C29_1 N31_1 1.332(7) . ?
O30_1 Eu66_1 2.450(4) 2_665 ?
N31_1 C32_1 1.479(8) . ?
N31_1 C34_1 1.487(8) . ?
C32_1 C33_1 1.513(11) . ?
C32_1 H32A_1 0.9900 . ?
C32_1 H32B_1 0.9900 . ?
C33_1 H33A_1 0.9800 . ?
C33_1 H33B_1 0.9800 . ?
C33_1 H33C_1 0.9800 . ?
C34_1 C35_1 1.523(14) . ?
C34_1 H34A_1 0.9900 . ?
C34_1 H34B_1 0.9900 . ?
C35_1 H35A_1 0.9800 . ?
C35_1 H35B_1 0.9800 . ?
C35_1 H35C_1 0.9800 . ?
C36_1 O37_1 1.258(7) . ?
C36_1 N38_1 1.313(7) . ?
O37_1 Eu66_1 2.447(4) 2_665 ?
N38_1 C41_1 1.478(7) . ?
N38_1 C39_1 1.483(7) . ?
C39_1 C40_1 1.529(8) . ?
C39_1 H39A_1 0.9900 . ?
C39_1 H39B_1 0.9900 . ?
C40_1 H40A_1 0.9800 . ?
C40_1 H40B_1 0.9800 . ?
C40_1 H40C_1 0.9800 . ?
C41_1 C42_1 1.520(9) . ?
C41_1 H41A_1 0.9900 . ?
C41_1 H41B_1 0.9900 . ?
C42_1 H42A_1 0.9800 . ?
C42_1 H42B_1 0.9800 . ?
C42_1 H42C_1 0.9800 . ?
C43_1 C44_1 1.205(8) . ?
C43_1 Pt65_1 1.949(6) . ?
C44_1 C45_1 1.429(7) . ?
C45_1 C46_1 1.397(8) . ?
C45_1 C49_1 1.400(8) . ?
C46_1 C47_1 1.373(7) . ?
C46_1 H46_1 0.9500 . ?
C47_1 N48_1 1.342(7) . ?
C47_1 C58_1 1.493(8) . ?
N48_1 C50_1 1.336(7) . ?
N48_1 Eu66_1 2.580(4) . ?
C49_1 C50_1 1.395(7) . ?
C49_1 H49_1 0.9500 . ?
C50_1 C51_1 1.506(7) . ?
C51_1 O52_1 1.256(7) . ?
C51_1 N53_1 1.332(8) . ?
O52_1 Eu66_1 2.422(4) . ?
N53_1 C56_1 1.485(9) . ?
N53_1 C54_1 1.485(8) . ?
C54_1 C55_1 1.521(17) . ?
C54_1 H54A_1 0.9900 . ?
C54_1 H54B_1 0.9900 . ?
C56_1 C57_1 1.513(10) . ?
C56_1 H56A_1 0.9900 . ?
C56_1 H56B_1 0.9900 . ?
C55_1 H55A_1 0.9800 . ?
C55_1 H55B_1 0.9800 . ?
C55_1 H55C_1 0.9800 . ?
C57_1 H57A_1 0.9800 . ?
C57_1 H57B_1 0.9800 . ?
C57_1 H57C_1 0.9800 . ?
C58_1 O59_1 1.263(6) . ?
C58_1 N60_1 1.326(7) . ?
O59_1 Eu66_1 2.394(4) . ?
N60_1 C61_1 1.470(7) . ?
N60_1 C63_1 1.472(8) . ?
C61_1 C62_1 1.530(9) . ?
C61_1 H61A_1 0.9900 . ?
C61_1 H61B_1 0.9900 . ?
C62_1 H62A_1 0.9800 . ?
C62_1 H62B_1 0.9800 . ?
C62_1 H62C_1 0.9800 . ?
C63_1 C64_1 1.520(10) . ?
C63_1 H63A_1 0.9900 . ?
C63_1 H63B_1 0.9900 . ?
C64_1 H64A_1 0.9800 . ?
C64_1 H64B_1 0.9800 . ?
C64_1 H64C_1 0.9800 . ?
Eu66_1 O25_2 2.401(4) . ?
Eu66_1 O26_2 2.441(4) . ?
Eu66_1 O2_2 2.486(4) . ?
S1_2 O3_2 1.428(5) . ?
S1_2 O4_2 1.450(4) . ?
S1_2 O2_2 1.451(4) . ?
S1_2 C5_2 1.823(6) . ?
C5_2 F8_2 1.329(8) . ?
C5_2 F6_2 1.332(7) . ?
C5_2 F7_2 1.333(7) . ?
S9_2 O12_2 1.426(5) . ?
S9_2 O11_2 1.433(5) . ?
S9_2 O10_2 1.440(4) . ?
S9_2 C13_2 1.810(9) . ?
C13_2 F16_2 1.298(11) . ?
C13_2 F14_2 1.327(9) . ?
C13_2 F15_2 1.351(11) . ?
S17_2 O18_2 1.416(6) . ?
S17_2 O20_2 1.431(6) . ?
S17_2 O19_2 1.439(5) . ?
S17_2 C21_2 1.802(9) . ?
C21_2 F24_2 1.316(10) . ?
C21_2 F22_2 1.320(11) . ?
C21_2 F23_2 1.350(10) . ?
C1_3 C2_3 1.457(13) . ?
C1_3 H1A_3 0.9800 . ?
C1_3 H1AB_3 0.9800 . ?
C1_3 H1AC_3 0.9800 . ?
C2_3 N3_3 1.159(11) . ?

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
C2_1 N1_1 C10_1 118.0(5) . . ?
C2_1 N1_1 Pt65_1 125.8(4) . . ?
C10_1 N1_1 Pt65_1 116.2(4) . . ?
N1_1 C2_1 C3_1 122.2(5) . . ?
N1_1 C2_1 H2_1 118.9 . . ?
C3_1 C2_1 H2_1 118.9 . . ?
C2_1 C3_1 C4_1 120.3(5) . . ?
C2_1 C3_1 H3_1 119.9 . . ?
C4_1 C3_1 H3_1 119.9 . . ?
C3_1 C4_1 C9_1 116.8(5) . . ?
C3_1 C4_1 C5_1 119.8(5) . . ?
C9_1 C4_1 C5_1 123.4(5) . . ?
C8_1 C5_1 C7_1 111.2(6) . . ?
C8_1 C5_1 C4_1 107.8(5) . . ?
C7_1 C5_1 C4_1 108.3(6) . . ?
C8_1 C5_1 C6_1 109.5(6) . . ?
C7_1 C5_1 C6_1 108.6(6) . . ?
C4_1 C5_1 C6_1 111.5(5) . . ?
C5_1 C6_1 H6A_1 109.5 . . ?
C5_1 C6_1 H6AB_1 109.5 . . ?
H6A_1 C6_1 H6AB_1 109.5 . . ?
C5_1 C6_1 H6AC_1 109.5 . . ?
H6A_1 C6_1 H6AC_1 109.5 . . ?
H6AB_1 C6_1 H6AC_1 109.5 . . ?
C5_1 C7_1 H7A_1 109.5 . . ?
C5_1 C7_1 H7AB_1 109.5 . . ?
H7A_1 C7_1 H7AB_1 109.5 . . ?
C5_1 C7_1 H7AC_1 109.5 . . ?
H7A_1 C7_1 H7AC_1 109.5 . . ?
H7AB_1 C7_1 H7AC_1 109.5 . . ?
C5_1 C8_1 H8A_1 109.5 . . ?
C5_1 C8_1 H8AB_1 109.5 . . ?
H8A_1 C8_1 H8AB_1 109.5 . . ?
C5_1 C8_1 H8AC_1 109.5 . . ?
H8A_1 C8_1 H8AC_1 109.5 . . ?
H8AB_1 C8_1 H8AC_1 109.5 . . ?
C10_1 C9_1 C4_1 120.3(5) . . ?
C10_1 C9_1 H9_1 119.8 . . ?
C4_1 C9_1 H9_1 119.8 . . ?
N1_1 C10_1 C9_1 122.4(5) . . ?
N1_1 C10_1 C11_1 113.8(5) . . ?
C9_1 C10_1 C11_1 123.7(5) . . ?
N20_1 C11_1 C12_1 120.7(5) . . ?
N20_1 C11_1 C10_1 115.2(4) . . ?
C12_1 C11_1 C10_1 124.1(5) . . ?
C13_1 C12_1 C11_1 120.9(5) . . ?
C13_1 C12_1 H12_1 119.5 . . ?
C11_1 C12_1 H12_1 119.5 . . ?
C12_1 C13_1 C18_1 116.0(5) . . ?
C12_1 C13_1 C14_1 123.4(5) . . ?
C18_1 C13_1 C14_1 120.6(5) . . ?
C15_1 C14_1 C13_1 111.9(5) . . ?
C15_1 C14_1 C16_1 108.9(5) . . ?
C13_1 C14_1 C16_1 108.7(5) . . ?
C15_1 C14_1 C17_1 110.0(5) . . ?
C13_1 C14_1 C17_1 108.2(5) . . ?
C16_1 C14_1 C17_1 109.3(5) . . ?
C14_1 C15_1 H15A_1 109.5 . . ?
C14_1 C15_1 H15B_1 109.5 . . ?
H15A_1 C15_1 H15B_1 109.5 . . ?
C14_1 C15_1 H15C_1 109.5 . . ?
H15A_1 C15_1 H15C_1 109.5 . . ?
H15B_1 C15_1 H15C_1 109.5 . . ?
C14_1 C16_1 H16A_1 109.5 . . ?
C14_1 C16_1 H16B_1 109.5 . . ?
H16A_1 C16_1 H16B_1 109.5 . . ?
C14_1 C16_1 H16C_1 109.5 . . ?
H16A_1 C16_1 H16C_1 109.5 . . ?
H16B_1 C16_1 H16C_1 109.5 . . ?
C14_1 C17_1 H17A_1 109.5 . . ?
C14_1 C17_1 H17B_1 109.5 . . ?
H17A_1 C17_1 H17B_1 109.5 . . ?
C14_1 C17_1 H17C_1 109.5 . . ?
H17A_1 C17_1 H17C_1 109.5 . . ?
H17B_1 C17_1 H17C_1 109.5 . . ?
C19_1 C18_1 C13_1 121.6(5) . . ?
C19_1 C18_1 H18_1 119.2 . . ?
C13_1 C18_1 H18_1 119.2 . . ?
N20_1 C19_1 C18_1 121.9(5) . . ?
N20_1 C19_1 H19_1 119.1 . . ?
C18_1 C19_1 H19_1 119.1 . . ?
C19_1 N20_1 C11_1 118.9(5) . . ?
C19_1 N20_1 Pt65_1 125.6(4) . . ?
C11_1 N20_1 Pt65_1 115.5(4) . . ?
C22_1 C21_1 Pt65_1 175.0(5) . . ?
C21_1 C22_1 C23_1 175.3(6) . . ?
C24_1 C23_1 C27_1 117.5(5) . . ?
C24_1 C23_1 C22_1 121.5(5) . . ?
C27_1 C23_1 C22_1 121.0(5) . . ?
C25_1 C24_1 C23_1 118.9(5) . . ?
C25_1 C24_1 H24_1 120.5 . . ?
C23_1 C24_1 H24_1 120.5 . . ?
N26_1 C25_1 C24_1 122.9(5) . . ?
N26_1 C25_1 C36_1 111.1(5) . . ?
C24_1 C25_1 C36_1 125.4(5) . . ?
C25_1 N26_1 C28_1 118.4(5) . . ?
C25_1 N26_1 Eu66_1 118.4(3) . 2_665 ?
C28_1 N26_1 Eu66_1 118.0(4) . 2_665 ?
C28_1 C27_1 C23_1 119.9(5) . . ?
C28_1 C27_1 H27_1 120.0 . . ?
C23_1 C27_1 H27_1 120.0 . . ?
N26_1 C28_1 C27_1 122.1(5) . . ?
N26_1 C28_1 C29_1 111.7(5) . . ?
C27_1 C28_1 C29_1 125.7(5) . . ?
O30_1 C29_1 N31_1 122.5(5) . . ?
O30_1 C29_1 C28_1 116.3(5) . . ?
N31_1 C29_1 C28_1 121.1(5) . . ?
C29_1 O30_1 Eu66_1 124.3(4) . 2_665 ?
C29_1 N31_1 C32_1 125.7(6) . . ?
C29_1 N31_1 C34_1 117.0(5) . . ?
C32_1 N31_1 C34_1 116.1(5) . . ?
N31_1 C32_1 C33_1 114.1(8) . . ?
N31_1 C32_1 H32A_1 108.7 . . ?
C33_1 C32_1 H32A_1 108.7 . . ?
N31_1 C32_1 H32B_1 108.7 . . ?
C33_1 C32_1 H32B_1 108.7 . . ?
H32A_1 C32_1 H32B_1 107.6 . . ?
C32_1 C33_1 H33A_1 109.5 . . ?
C32_1 C33_1 H33B_1 109.5 . . ?
H33A_1 C33_1 H33B_1 109.5 . . ?
C32_1 C33_1 H33C_1 109.5 . . ?
H33A_1 C33_1 H33C_1 109.5 . . ?
H33B_1 C33_1 H33C_1 109.5 . . ?
N31_1 C34_1 C35_1 108.6(7) . . ?
N31_1 C34_1 H34A_1 110.0 . . ?
C35_1 C34_1 H34A_1 110.0 . . ?
N31_1 C34_1 H34B_1 110.0 . . ?
C35_1 C34_1 H34B_1 110.0 . . ?
H34A_1 C34_1 H34B_1 108.4 . . ?
C34_1 C35_1 H35A_1 109.5 . . ?
C34_1 C35_1 H35B_1 109.5 . . ?
H35A_1 C35_1 H35B_1 109.5 . . ?
C34_1 C35_1 H35C_1 109.5 . . ?
H35A_1 C35_1 H35C_1 109.5 . . ?
H35B_1 C35_1 H35C_1 109.5 . . ?
O37_1 C36_1 N38_1 122.6(5) . . ?
O37_1 C36_1 C25_1 114.9(5) . . ?
N38_1 C36_1 C25_1 122.5(5) . . ?
C36_1 O37_1 Eu66_1 122.1(3) . 2_665 ?
C36_1 N38_1 C41_1 117.1(5) . . ?
C36_1 N38_1 C39_1 125.1(5) . . ?
C41_1 N38_1 C39_1 116.8(5) . . ?
N38_1 C39_1 C40_1 113.6(5) . . ?
N38_1 C39_1 H39A_1 108.8 . . ?
C40_1 C39_1 H39A_1 108.8 . . ?
N38_1 C39_1 H39B_1 108.8 . . ?
C40_1 C39_1 H39B_1 108.8 . . ?
H39A_1 C39_1 H39B_1 107.7 . . ?
C39_1 C40_1 H40A_1 109.5 . . ?
C39_1 C40_1 H40B_1 109.5 . . ?
H40A_1 C40_1 H40B_1 109.5 . . ?
C39_1 C40_1 H40C_1 109.5 . . ?
H40A_1 C40_1 H40C_1 109.5 . . ?
H40B_1 C40_1 H40C_1 109.5 . . ?
N38_1 C41_1 C42_1 112.3(5) . . ?
N38_1 C41_1 H41A_1 109.1 . . ?
C42_1 C41_1 H41A_1 109.1 . . ?
N38_1 C41_1 H41B_1 109.1 . . ?
C42_1 C41_1 H41B_1 109.1 . . ?
H41A_1 C41_1 H41B_1 107.9 . . ?
C41_1 C42_1 H42A_1 109.5 . . ?
C41_1 C42_1 H42B_1 109.5 . . ?
H42A_1 C42_1 H42B_1 109.5 . . ?
C41_1 C42_1 H42C_1 109.5 . . ?
H42A_1 C42_1 H42C_1 109.5 . . ?
H42B_1 C42_1 H42C_1 109.5 . . ?
C44_1 C43_1 Pt65_1 178.4(5) . . ?
C43_1 C44_1 C45_1 174.2(6) . . ?
C46_1 C45_1 C49_1 117.7(5) . . ?
C46_1 C45_1 C44_1 120.0(5) . . ?
C49_1 C45_1 C44_1 122.3(5) . . ?
C47_1 C46_1 C45_1 119.8(5) . . ?
C47_1 C46_1 H46_1 120.1 . . ?
C45_1 C46_1 H46_1 120.1 . . ?
N48_1 C47_1 C46_1 122.5(5) . . ?
N48_1 C47_1 C58_1 111.5(4) . . ?
C46_1 C47_1 C58_1 125.2(5) . . ?
C50_1 N48_1 C47_1 118.3(4) . . ?
C50_1 N48_1 Eu66_1 116.8(3) . . ?
C47_1 N48_1 Eu66_1 114.6(3) . . ?
C50_1 C49_1 C45_1 118.5(5) . . ?
C50_1 C49_1 H49_1 120.8 . . ?
C45_1 C49_1 H49_1 120.8 . . ?
N48_1 C50_1 C49_1 122.9(5) . . ?
N48_1 C50_1 C51_1 111.2(5) . . ?
C49_1 C50_1 C51_1 125.0(5) . . ?
O52_1 C51_1 N53_1 121.0(5) . . ?
O52_1 C51_1 C50_1 115.5(5) . . ?
N53_1 C51_1 C50_1 123.5(5) . . ?
C51_1 O52_1 Eu66_1 124.8(4) . . ?
C51_1 N53_1 C56_1 124.1(5) . . ?
C51_1 N53_1 C54_1 116.8(6) . . ?
C56_1 N53_1 C54_1 117.7(6) . . ?
N53_1 C54_1 C55_1 111.1(9) . . ?
N53_1 C54_1 H54A_1 109.4 . . ?
C55_1 C54_1 H54A_1 109.4 . . ?
N53_1 C54_1 H54B_1 109.4 . . ?
C55_1 C54_1 H54B_1 109.4 . . ?
H54A_1 C54_1 H54B_1 108.0 . . ?
N53_1 C56_1 C57_1 112.4(7) . . ?
N53_1 C56_1 H56A_1 109.1 . . ?
C57_1 C56_1 H56A_1 109.1 . . ?
N53_1 C56_1 H56B_1 109.1 . . ?
C57_1 C56_1 H56B_1 109.1 . . ?
H56A_1 C56_1 H56B_1 107.8 . . ?
C54_1 C55_1 H55A_1 109.5 . . ?
C54_1 C55_1 H55B_1 109.5 . . ?
H55A_1 C55_1 H55B_1 109.5 . . ?
C54_1 C55_1 H55C_1 109.5 . . ?
H55A_1 C55_1 H55C_1 109.5 . . ?
H55B_1 C55_1 H55C_1 109.5 . . ?
C56_1 C57_1 H57A_1 109.5 . . ?
C56_1 C57_1 H57B_1 109.5 . . ?
H57A_1 C57_1 H57B_1 109.5 . . ?
C56_1 C57_1 H57C_1 109.5 . . ?
H57A_1 C57_1 H57C_1 109.5 . . ?
H57B_1 C57_1 H57C_1 109.5 . . ?
O59_1 C58_1 N60_1 121.3(5) . . ?
O59_1 C58_1 C47_1 116.1(4) . . ?
N60_1 C58_1 C47_1 122.6(5) . . ?
C58_1 O59_1 Eu66_1 124.4(4) . . ?
C58_1 N60_1 C61_1 125.9(5) . . ?
C58_1 N60_1 C63_1 118.6(5) . . ?
C61_1 N60_1 C63_1 115.5(5) . . ?
N60_1 C61_1 C62_1 111.2(5) . . ?
N60_1 C61_1 H61A_1 109.4 . . ?
C62_1 C61_1 H61A_1 109.4 . . ?
N60_1 C61_1 H61B_1 109.4 . . ?
C62_1 C61_1 H61B_1 109.4 . . ?
H61A_1 C61_1 H61B_1 108.0 . . ?
C61_1 C62_1 H62A_1 109.5 . . ?
C61_1 C62_1 H62B_1 109.5 . . ?
H62A_1 C62_1 H62B_1 109.5 . . ?
C61_1 C62_1 H62C_1 109.5 . . ?
H62A_1 C62_1 H62C_1 109.5 . . ?
H62B_1 C62_1 H62C_1 109.5 . . ?
N60_1 C63_1 C64_1 111.0(5) . . ?
N60_1 C63_1 H63A_1 109.4 . . ?
C64_1 C63_1 H63A_1 109.4 . . ?
N60_1 C63_1 H63B_1 109.4 . . ?
C64_1 C63_1 H63B_1 109.4 . . ?
H63A_1 C63_1 H63B_1 108.0 . . ?
C63_1 C64_1 H64A_1 109.5 . . ?
C63_1 C64_1 H64B_1 109.5 . . ?
H64A_1 C64_1 H64B_1 109.5 . . ?
C63_1 C64_1 H64C_1 109.5 . . ?
H64A_1 C64_1 H64C_1 109.5 . . ?
H64B_1 C64_1 H64C_1 109.5 . . ?
C21_1 Pt65_1 C43_1 89.9(2) . . ?
C21_1 Pt65_1 N20_1 94.4(2) . . ?
C43_1 Pt65_1 N20_1 175.7(2) . . ?
C21_1 Pt65_1 N1_1 173.0(2) . . ?
C43_1 Pt65_1 N1_1 96.5(2) . . ?
N20_1 Pt65_1 N1_1 79.16(17) . . ?
O59_1 Eu66_1 O25_2 87.27(14) . . ?
O59_1 Eu66_1 O52_1 126.93(13) . . ?
O25_2 Eu66_1 O52_1 78.90(15) . . ?
O59_1 Eu66_1 O26_2 80.32(13) . . ?
O25_2 Eu66_1 O26_2 72.78(14) . . ?
O52_1 Eu66_1 O26_2 139.58(14) . . ?
O59_1 Eu66_1 O37_1 77.69(13) . 2_665 ?
O25_2 Eu66_1 O37_1 139.65(13) . 2_665 ?
O52_1 Eu66_1 O37_1 80.82(14) . 2_665 ?
O26_2 Eu66_1 O37_1 138.60(14) . 2_665 ?
O59_1 Eu66_1 O30_1 153.92(13) . 2_665 ?
O25_2 Eu66_1 O30_1 80.71(14) . 2_665 ?
O52_1 Eu66_1 O30_1 73.39(13) . 2_665 ?
O26_2 Eu66_1 O30_1 74.05(13) . 2_665 ?
O37_1 Eu66_1 O30_1 125.60(12) 2_665 2_665 ?
O59_1 Eu66_1 O2_2 76.49(14) . . ?
O25_2 Eu66_1 O2_2 141.03(14) . . ?
O52_1 Eu66_1 O2_2 138.68(14) . . ?
O26_2 Eu66_1 O2_2 69.72(14) . . ?
O37_1 Eu66_1 O2_2 71.26(13) 2_665 . ?
O30_1 Eu66_1 O2_2 98.65(14) 2_665 . ?
O59_1 Eu66_1 N26_1 134.63(15) . 2_665 ?
O25_2 Eu66_1 N26_1 137.55(15) . 2_665 ?
O52_1 Eu66_1 N26_1 70.18(16) . 2_665 ?
O26_2 Eu66_1 N26_1 114.29(14) . 2_665 ?
O37_1 Eu66_1 N26_1 63.11(13) 2_665 2_665 ?
O30_1 Eu66_1 N26_1 63.27(14) 2_665 2_665 ?
O2_2 Eu66_1 N26_1 70.21(15) . 2_665 ?
O59_1 Eu66_1 N48_1 63.84(13) . . ?
O25_2 Eu66_1 N48_1 73.36(13) . . ?
O52_1 Eu66_1 N48_1 63.09(12) . . ?
O26_2 Eu66_1 N48_1 131.10(13) . . ?
O37_1 Eu66_1 N48_1 66.38(13) 2_665 . ?
O30_1 Eu66_1 N48_1 132.48(14) 2_665 . ?
O2_2 Eu66_1 N48_1 126.40(13) . . ?
N26_1 Eu66_1 N48_1 114.55(14) 2_665 . ?
O3_2 S1_2 O4_2 116.5(3) . . ?
O3_2 S1_2 O2_2 114.8(3) . . ?
O4_2 S1_2 O2_2 113.2(3) . . ?
O3_2 S1_2 C5_2 104.6(3) . . ?
O4_2 S1_2 C5_2 103.3(3) . . ?
O2_2 S1_2 C5_2 102.2(3) . . ?
S1_2 O2_2 Eu66_1 149.7(2) . . ?
F8_2 C5_2 F6_2 108.3(5) . . ?
F8_2 C5_2 F7_2 107.4(5) . . ?
F6_2 C5_2 F7_2 107.6(5) . . ?
F8_2 C5_2 S1_2 111.3(4) . . ?
F6_2 C5_2 S1_2 111.1(4) . . ?
F7_2 C5_2 S1_2 111.0(4) . . ?
O12_2 S9_2 O11_2 114.7(4) . . ?
O12_2 S9_2 O10_2 114.9(3) . . ?
O11_2 S9_2 O10_2 114.2(3) . . ?
O12_2 S9_2 C13_2 104.0(4) . . ?
O11_2 S9_2 C13_2 103.0(4) . . ?
O10_2 S9_2 C13_2 103.9(4) . . ?
F16_2 C13_2 F14_2 109.0(9) . . ?
F16_2 C13_2 F15_2 107.9(8) . . ?
F14_2 C13_2 F15_2 108.2(7) . . ?
F16_2 C13_2 S9_2 112.1(6) . . ?
F14_2 C13_2 S9_2 109.4(7) . . ?
F15_2 C13_2 S9_2 110.2(7) . . ?
O18_2 S17_2 O20_2 117.0(4) . . ?
O18_2 S17_2 O19_2 115.7(4) . . ?
O20_2 S17_2 O19_2 114.3(3) . . ?
O18_2 S17_2 C21_2 103.1(4) . . ?
O20_2 S17_2 C21_2 102.4(4) . . ?
O19_2 S17_2 C21_2 101.1(4) . . ?
F24_2 C21_2 F22_2 110.5(9) . . ?
F24_2 C21_2 F23_2 107.4(8) . . ?
F22_2 C21_2 F23_2 108.4(8) . . ?
F24_2 C21_2 S17_2 110.4(7) . . ?
F22_2 C21_2 S17_2 110.5(7) . . ?
F23_2 C21_2 S17_2 109.6(6) . . ?
C2_3 C1_3 H1A_3 109.5 . . ?
C2_3 C1_3 H1AB_3 109.5 . . ?
H1A_3 C1_3 H1AB_3 109.5 . . ?
C2_3 C1_3 H1AC_3 109.5 . . ?
H1A_3 C1_3 H1AC_3 109.5 . . ?
H1AB_3 C1_3 H1AC_3 109.5 . . ?
N3_3 C2_3 C1_3 179.5(12) . . ?

_refine_diff_density_max         1.811
_refine_diff_density_min         -1.001
_refine_diff_density_rms         0.115



####################################################################### 
# 
# 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_mo_491_7bb_0m_a_sq_s
_database_code_depnum_ccdc_archive 'CCDC 1892891'
loop_
_audit_author_name
_audit_author_address
'Qing-Fu Sun'
;Fujian institute of research on the structure of matter-Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-01-23 deposited with the CCDC.	2019-03-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C178 H194 F6 Lu2 N16 O20 P4 Pt2 S2'
_chemical_formula_weight         3919.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

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                   18.6809(11)
_cell_length_b                   15.9420(10)
_cell_length_c                   41.772(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.432(2)
_cell_angle_gamma                90
_cell_volume                     12429.1(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9938
_cell_measurement_theta_min      2.61
_cell_measurement_theta_max      24.57

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.047
_exptl_crystal_F_000             3956
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    2.004
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            423376
_diffrn_reflns_av_unetI/netI     0.0541
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_theta_min         2.198
_diffrn_reflns_theta_max         30.568
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             38017
_reflns_number_gt                18031
_reflns_threshold_expression     'I > 2σ(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.
 
 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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1279P)²+10.4538P] 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         38017
_refine_ls_number_parameters     998
_refine_ls_number_restraints     1007
_refine_ls_R_factor_all          0.1574
_refine_ls_R_factor_gt           0.0776
_refine_ls_wR_factor_ref         0.2697
_refine_ls_wR_factor_gt          0.2185
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
N1_1 N 0.0467(3) 0.4079(5) 0.47206(14) 0.0880(17) Uani 1 1 d . U . . .
C2_1 C 0.0489(5) 0.4177(8) 0.44067(19) 0.111(3) Uani 1 1 d . U . . .
H2_1 H 0.086396 0.447392 0.432059 0.133 Uiso 1 1 calc R U . . .
C3_1 C -0.0046(5) 0.3838(8) 0.4206(2) 0.120(3) Uani 1 1 d . U . . .
H3_1 H -0.000957 0.388570 0.398528 0.144 Uiso 1 1 calc R U . . .
C4_1 C -0.0642(5) 0.3423(8) 0.4327(2) 0.122(3) Uani 1 1 d . U . . .
C5_1 C -0.1170(6) 0.3008(11) 0.4106(3) 0.157(4) Uani 1 1 d . U . . .
C6_1 C -0.0831(8) 0.2423(15) 0.3883(5) 0.269(10) Uani 1 1 d . U . . .
H6A_1 H -0.119536 0.212330 0.376161 0.403 Uiso 1 1 calc R U . . .
H6AB_1 H -0.053574 0.203186 0.400383 0.403 Uiso 1 1 calc R U . . .
H6AC_1 H -0.054081 0.273333 0.374074 0.403 Uiso 1 1 calc R U . . .
C7_1 C -0.1532(9) 0.3726(15) 0.3887(5) 0.250(8) Uani 1 1 d . U . . .
H7A_1 H -0.173022 0.348249 0.369262 0.375 Uiso 1 1 calc R U . . .
H7AB_1 H -0.117705 0.413467 0.383656 0.375 Uiso 1 1 calc R U . . .
H7AC_1 H -0.190634 0.399117 0.400067 0.375 Uiso 1 1 calc R U . . .
C8_1 C -0.1800(8) 0.2744(16) 0.4281(4) 0.265(10) Uani 1 1 d . U . . .
H8A_1 H -0.220453 0.268274 0.413376 0.397 Uiso 1 1 calc R U . . .
H8AB_1 H -0.190364 0.316035 0.443871 0.397 Uiso 1 1 calc R U . . .
H8AC_1 H -0.170075 0.221785 0.438560 0.397 Uiso 1 1 calc R U . . .
C9_1 C -0.0655(4) 0.3408(7) 0.4655(2) 0.107(3) Uani 1 1 d . U . . .
H9_1 H -0.104888 0.317147 0.474978 0.128 Uiso 1 1 calc R U . . .
C10_1 C -0.0110(4) 0.3726(6) 0.48492(18) 0.088(2) Uani 1 1 d . U . . .
C11_1 C -0.0097(4) 0.3704(6) 0.52094(19) 0.088(2) Uani 1 1 d . U . . .
C12_1 C -0.0638(4) 0.3386(6) 0.5387(2) 0.099(2) Uani 1 1 d . U . . .
H12_1 H -0.104247 0.315589 0.528295 0.119 Uiso 1 1 calc R U . . .
C13_1 C -0.0587(5) 0.3404(8) 0.5710(2) 0.122(3) Uani 1 1 d . U . . .
C14_1 C -0.1163(6) 0.2997(9) 0.5911(3) 0.164(4) Uani 1 1 d D U . . .
C15_1 C -0.1823(7) 0.2705(11) 0.5704(3) 0.220(7) Uani 1 1 d D U . . .
H15A_1 H -0.198788 0.315672 0.556793 0.330 Uiso 1 1 calc R U . . .
H15B_1 H -0.219842 0.254204 0.584136 0.330 Uiso 1 1 calc R U . . .
H15C_1 H -0.169280 0.223605 0.557497 0.330 Uiso 1 1 calc R U . . .
C16_1 C -0.1416(7) 0.3678(12) 0.6152(3) 0.222(7) Uani 1 1 d D U . . .
H16A_1 H -0.153663 0.418457 0.603775 0.333 Uiso 1 1 calc R U . . .
H16B_1 H -0.103638 0.379084 0.630859 0.333 Uiso 1 1 calc R U . . .
H16C_1 H -0.182831 0.347681 0.625782 0.333 Uiso 1 1 calc R U . . .
C17_1 C -0.0823(9) 0.2258(11) 0.6101(4) 0.272(10) Uani 1 1 d D U . . .
H17A_1 H -0.058627 0.189201 0.595673 0.407 Uiso 1 1 calc R U . . .
H17B_1 H -0.119053 0.195340 0.620488 0.407 Uiso 1 1 calc R U . . .
H17C_1 H -0.048125 0.246931 0.625889 0.407 Uiso 1 1 calc R U . . .
C18_1 C 0.0017(6) 0.3716(8) 0.5849(2) 0.124(3) Uani 1 1 d . U . . .
H18_1 H 0.007457 0.371163 0.607078 0.149 Uiso 1 1 calc R U . . .
C19_1 C 0.0541(5) 0.4034(7) 0.5675(2) 0.107(3) Uani 1 1 d . U . . .
H19_1 H 0.094041 0.426234 0.578263 0.129 Uiso 1 1 calc R U . . .
N20_1 N 0.0517(3) 0.4039(5) 0.53524(15) 0.0926(18) Uani 1 1 d . U . . .
Pt21_1 Pt 0.12744(2) 0.44369(2) 0.50516(2) 0.08780(14) Uani 1 1 d . U . . .
C22_1 C 0.1948(4) 0.4754(6) 0.47324(19) 0.091(2) Uani 1 1 d . U . . .
C23_1 C 0.2371(5) 0.4867(6) 0.4528(2) 0.096(2) Uani 1 1 d . U . . .
C24_1 C 0.2818(4) 0.4990(6) 0.4271(2) 0.091(2) Uani 1 1 d . U . . .
C25_1 C 0.2744(4) 0.4513(5) 0.39932(19) 0.0844(19) Uani 1 1 d . U . . .
H25_1 H 0.238969 0.410361 0.397881 0.101 Uiso 1 1 calc R U . . .
C26_1 C 0.3177(4) 0.4627(5) 0.37392(17) 0.0765(17) Uani 1 1 d . U . . .
N27_1 N 0.3708(3) 0.5206(4) 0.37587(15) 0.0736(14) Uani 1 1 d . U . . .
C28_1 C 0.3181(4) 0.4135(5) 0.34384(17) 0.0790(18) Uani 1 1 d . U . . .
O29_1 O 0.3778(3) 0.4081(3) 0.33119(12) 0.0820(13) Uani 1 1 d . U . . .
N30_1 N 0.2609(3) 0.3730(5) 0.33172(16) 0.0917(18) Uani 1 1 d D U . . .
C31_1 C 0.2723(5) 0.3159(7) 0.3038(2) 0.118(3) Uani 1 1 d D U . . .
H31A_1 H 0.234697 0.273931 0.302574 0.142 Uiso 1 1 calc R U . . .
H31B_1 H 0.317811 0.287155 0.306981 0.142 Uiso 1 1 calc R U . . .
C32_1 C 0.2719(6) 0.3649(9) 0.2728(2) 0.146(4) Uani 1 1 d D U . . .
H32A_1 H 0.293511 0.331830 0.256603 0.220 Uiso 1 1 calc R U . . .
H32B_1 H 0.298533 0.415913 0.276029 0.220 Uiso 1 1 calc R U . . .
H32C_1 H 0.223412 0.378017 0.266077 0.220 Uiso 1 1 calc R U . . .
C33_1 C 0.1862(3) 0.3879(6) 0.3389(2) 0.091(2) Uani 1 1 d D U . . .
H33A_1 H 0.158970 0.399085 0.319126 0.110 Uiso 1 1 calc R U . . .
H33B_1 H 0.183562 0.437407 0.352347 0.110 Uiso 1 1 calc R U . . .
C34_1 C 0.1523(5) 0.3146(7) 0.3559(3) 0.131(4) Uani 1 1 d D U . . .
H34A_1 H 0.106747 0.331407 0.363521 0.196 Uiso 1 1 calc R U . . .
H34B_1 H 0.183094 0.297309 0.373655 0.196 Uiso 1 1 calc R U . . .
H34C_1 H 0.145684 0.268717 0.341165 0.196 Uiso 1 1 calc R U . . .
C35_1 C 0.3377(4) 0.5593(6) 0.4276(2) 0.093(2) Uani 1 1 d . U . . .
H35_1 H 0.345788 0.593082 0.445541 0.112 Uiso 1 1 calc R U . . .
C36_1 C 0.3796(4) 0.5677(5) 0.40197(19) 0.0820(19) Uani 1 1 d . U . . .
C37_1 C 0.4449(4) 0.6228(5) 0.39931(19) 0.085(2) Uani 1 1 d . U . . .
O38_1 O 0.4934(3) 0.5934(3) 0.38296(13) 0.0845(13) Uani 1 1 d . U . . .
N39_1 N 0.4538(4) 0.6966(5) 0.4141(2) 0.120(3) Uani 1 1 d . U . . .
C40_1 C 0.5202(6) 0.7408(8) 0.4111(3) 0.146(4) Uani 1 1 d . U . . .
H40A_1 H 0.535673 0.734723 0.389315 0.176 Uiso 1 1 calc R U . . .
H40B_1 H 0.512372 0.800073 0.414908 0.176 Uiso 1 1 calc R U . . .
C41_1 C 0.5755(8) 0.7113(11) 0.4328(4) 0.196(7) Uani 1 1 d . U . . .
H41A_1 H 0.575061 0.651127 0.433120 0.294 Uiso 1 1 calc R U . . .
H41B_1 H 0.567556 0.732337 0.453873 0.294 Uiso 1 1 calc R U . . .
H41C_1 H 0.621058 0.730673 0.425965 0.294 Uiso 1 1 calc R U . . .
C44_1 C 0.1988(4) 0.4666(6) 0.5385(2) 0.092(2) Uani 1 1 d . U . . .
C43_1 C 0.3962(11) 0.7657(13) 0.4603(4) 0.266(10) Uani 1 1 d D U . . .
H43A_1 H 0.443063 0.786707 0.466316 0.399 Uiso 1 1 calc R U . . .
H43B_1 H 0.387573 0.714913 0.471820 0.399 Uiso 1 1 calc R U . . .
H43C_1 H 0.360853 0.806814 0.465332 0.399 Uiso 1 1 calc R U . . .
C42_1 C 0.3920(7) 0.7488(9) 0.4260(4) 0.189(6) Uani 1 1 d D U . . .
H42A_1 H 0.390630 0.801772 0.414552 0.227 Uiso 1 1 calc R U . . .
H42B_1 H 0.347451 0.719598 0.420736 0.227 Uiso 1 1 calc R U . . .
C45_1 C 0.2444(5) 0.4821(7) 0.5596(2) 0.112(3) Uani 1 1 d . U . . .
C46_1 C 0.2978(4) 0.4982(6) 0.5841(2) 0.097(2) Uani 1 1 d . U . . .
C47_1 C 0.3479(4) 0.5606(6) 0.5800(2) 0.094(2) Uani 1 1 d . U . . .
H47_1 H 0.347613 0.592319 0.561347 0.112 Uiso 1 1 calc R U . . .
C48_1 C 0.3990(4) 0.5746(5) 0.60487(19) 0.0832(19) Uani 1 1 d . U . . .
N49_1 N 0.4026(3) 0.5282(4) 0.63140(14) 0.0729(13) Uani 1 1 d . U . . .
C50_1 C 0.4633(4) 0.6315(6) 0.6033(2) 0.092(2) Uani 1 1 d . U . . .
O51_1 O 0.5194(3) 0.6057(3) 0.61729(13) 0.0898(15) Uani 1 1 d . U . . .
N52_1 N 0.4620(5) 0.7034(6) 0.5883(2) 0.130(3) Uani 1 1 d . U . . .
C53_1 C 0.5303(7) 0.7526(9) 0.5871(4) 0.165(5) Uani 1 1 d D U . . .
H53A_1 H 0.519244 0.810722 0.582218 0.199 Uiso 1 1 calc R U . . .
H53B_1 H 0.555296 0.750690 0.607954 0.199 Uiso 1 1 calc R U . . .
C54_1 C 0.5770(10) 0.7186(15) 0.5628(5) 0.265(11) Uani 1 1 d D U . . .
H54A_1 H 0.548605 0.687519 0.547177 0.398 Uiso 1 1 calc R U . . .
H54B_1 H 0.612136 0.682263 0.572849 0.398 Uiso 1 1 calc R U . . .
H54C_1 H 0.600601 0.763951 0.552383 0.398 Uiso 1 1 calc R U . . .
C55_1 C 0.3924(7) 0.7526(9) 0.5794(4) 0.189(6) Uani 1 1 d D U . . .
H55A_1 H 0.350406 0.722105 0.585804 0.227 Uiso 1 1 calc R U . . .
H55B_1 H 0.392891 0.807482 0.589426 0.227 Uiso 1 1 calc R U . . .
C57_1 C 0.3000(4) 0.4513(6) 0.6122(2) 0.092(2) Uani 1 1 d . U . . .
H57_1 H 0.266530 0.409204 0.615222 0.111 Uiso 1 1 calc R U . . .
C56_1 C 0.3933(14) 0.7602(18) 0.5431(4) 0.348(15) Uani 1 1 d D U . . .
H56A_1 H 0.425419 0.719175 0.534986 0.522 Uiso 1 1 calc R U . . .
H56B_1 H 0.409112 0.815352 0.537523 0.522 Uiso 1 1 calc R U . . .
H56C_1 H 0.345913 0.750857 0.534038 0.522 Uiso 1 1 calc R U . . .
C58_1 C 0.3533(4) 0.4684(5) 0.63564(18) 0.0773(17) Uani 1 1 d . U . . .
C59_1 C 0.3695(5) 0.4220(5) 0.6669(2) 0.0885(19) Uani 1 1 d . U . . .
O60_1 O 0.4337(3) 0.4199(4) 0.67591(12) 0.0879(14) Uani 1 1 d . U . . .
N61_1 N 0.3195(4) 0.3828(6) 0.6825(2) 0.123(3) Uani 1 1 d . U . . .
C62_1 C 0.2404(5) 0.3935(9) 0.6759(3) 0.145(4) Uani 1 1 d . U . . .
H62A_1 H 0.231858 0.437389 0.660092 0.174 Uiso 1 1 calc R U . . .
H62B_1 H 0.217715 0.409860 0.695403 0.174 Uiso 1 1 calc R U . . .
C63_1 C 0.2083(7) 0.3105(10) 0.6634(4) 0.207(7) Uani 1 1 d . U . . .
H63A_1 H 0.213016 0.307227 0.640620 0.311 Uiso 1 1 calc R U . . .
H63B_1 H 0.158511 0.308019 0.668138 0.311 Uiso 1 1 calc R U . . .
H63C_1 H 0.233270 0.264435 0.673559 0.311 Uiso 1 1 calc R U . . .
C64_1 C 0.3723(19) 0.2495(19) 0.6953(9) 0.45(2) Uani 1 1 d . U . . .
H64A_1 H 0.333701 0.211340 0.690210 0.668 Uiso 1 1 calc R U . . .
H64B_1 H 0.406688 0.222698 0.709654 0.668 Uiso 1 1 calc R U . . .
H64C_1 H 0.394926 0.265328 0.676023 0.668 Uiso 1 1 calc R U . . .
C65_1 C 0.3414(6) 0.3314(11) 0.7121(4) 0.208(8) Uani 1 1 d . U . . .
H65A_1 H 0.300662 0.318401 0.724895 0.250 Uiso 1 1 calc R U . . .
H65B_1 H 0.377863 0.359691 0.725381 0.250 Uiso 1 1 calc R U . . .
Lu66_1 Lu 0.52350(2) 0.50607(2) 0.65672(2) 0.07101(12) Uani 1 1 d . U . . .
O1_2 O 0.5829(3) 0.4175(4) 0.68870(13) 0.0915(15) Uani 1 1 d . U . . .
P2_2 P 0.61089(12) 0.35740(15) 0.71266(6) 0.0906(6) Uani 1 1 d . U . . .
C3_2 C 0.6111(5) 0.2544(6) 0.6960(3) 0.113(3) Uani 1 1 d . U . . .
C4_2 C 0.6687(7) 0.1986(8) 0.7006(4) 0.159(5) Uani 1 1 d . U . . .
H4_2 H 0.709078 0.215568 0.712759 0.191 Uiso 1 1 calc R U . . .
C5_2 C 0.6668(9) 0.1195(9) 0.6876(5) 0.189(6) Uani 1 1 d . U . . .
H5_2 H 0.705661 0.083189 0.689716 0.227 Uiso 1 1 calc R U . . .
C6_2 C 0.6070(10) 0.0977(10) 0.6721(5) 0.213(7) Uani 1 1 d . U . . .
H6_2 H 0.602414 0.042149 0.665521 0.256 Uiso 1 1 calc R U . . .
C7_2 C 0.5514(8) 0.1504(10) 0.6649(5) 0.195(6) Uani 1 1 d . U . . .
H7_2 H 0.513241 0.132495 0.651601 0.234 Uiso 1 1 calc R U . . .
C8_2 C 0.5517(6) 0.2284(7) 0.6770(3) 0.146(4) Uani 1 1 d . U . . .
H8_2 H 0.513211 0.264347 0.672847 0.175 Uiso 1 1 calc R U . . .
C9_2 C 0.7006(5) 0.3833(6) 0.7259(2) 0.095(2) Uani 1 1 d . U . . .
C10_2 C 0.7494(5) 0.4028(7) 0.7037(3) 0.113(3) Uani 1 1 d . U . . .
H10_2 H 0.732937 0.406888 0.682394 0.136 Uiso 1 1 calc R U . . .
C11_2 C 0.8210(6) 0.4170(8) 0.7103(3) 0.132(3) Uani 1 1 d . U . . .
H11_2 H 0.854106 0.423750 0.694511 0.159 Uiso 1 1 calc R U . . .
C12_2 C 0.8405(6) 0.4204(8) 0.7451(3) 0.140(4) Uani 1 1 d . U . . .
H12_2 H 0.886560 0.436674 0.751729 0.168 Uiso 1 1 calc R U . . .
C13_2 C 0.7932(6) 0.4004(8) 0.7672(3) 0.127(3) Uani 1 1 d . U . . .
H13_2 H 0.807987 0.398361 0.788743 0.153 Uiso 1 1 calc R U . . .
C14_2 C 0.7240(5) 0.3832(7) 0.7584(2) 0.113(3) Uani 1 1 d . U . . .
H14_2 H 0.691505 0.371186 0.774061 0.136 Uiso 1 1 calc R U . . .
C15_2 C 0.5582(5) 0.3502(6) 0.7469(2) 0.103(2) Uani 1 1 d . U . . .
C16_2 C 0.5453(7) 0.2716(8) 0.7621(3) 0.146(4) Uani 1 1 d . U . . .
H16_2 H 0.561632 0.222982 0.752526 0.176 Uiso 1 1 calc R U . . .
C17_2 C 0.5103(9) 0.2644(11) 0.7900(4) 0.172(5) Uani 1 1 d . U . . .
H17_2 H 0.506441 0.212411 0.799839 0.206 Uiso 1 1 calc R U . . .
C18_2 C 0.4820(9) 0.3318(12) 0.8028(4) 0.176(5) Uani 1 1 d . U . . .
H18_2 H 0.455977 0.326298 0.821230 0.211 Uiso 1 1 calc R U . . .
C19_2 C 0.4906(7) 0.4122(10) 0.7891(3) 0.149(4) Uani 1 1 d . U . . .
H19_2 H 0.471147 0.459270 0.798576 0.179 Uiso 1 1 calc R U . . .
C20_2 C 0.5277(5) 0.4202(8) 0.7618(2) 0.110(2) Uani 1 1 d . U . . .
O21_2 O 0.5371(4) 0.4957(4) 0.74702(14) 0.118(2) Uani 1 1 d . U . . .
C22_2 C 0.5592(5) 0.5654(7) 0.7647(2) 0.103(2) Uani 1 1 d . U . . .
C23_2 C 0.6049(6) 0.5614(8) 0.7909(2) 0.121(3) Uani 1 1 d . U . . .
H23_2 H 0.622845 0.510004 0.798118 0.145 Uiso 1 1 calc R U . . .
C24_2 C 0.6242(7) 0.6341(10) 0.8065(3) 0.140(4) Uani 1 1 d . U . . .
H24_2 H 0.654271 0.631042 0.824762 0.169 Uiso 1 1 calc R U . . .
C25_2 C 0.6016(8) 0.7089(10) 0.7963(3) 0.153(4) Uani 1 1 d . U . . .
H25_2 H 0.617378 0.757397 0.806800 0.184 Uiso 1 1 calc R U . . .
C26_2 C 0.5542(7) 0.7139(8) 0.7701(3) 0.133(3) Uani 1 1 d . U . . .
H26_2 H 0.537308 0.765934 0.763123 0.160 Uiso 1 1 calc R U . . .
C27_2 C 0.5319(5) 0.6419(7) 0.7541(2) 0.104(2) Uani 1 1 d . U . . .
P28_2 P 0.46858(13) 0.64831(16) 0.72012(6) 0.0944(6) Uani 1 1 d . U . . .
O29_2 O 0.4843(3) 0.5923(4) 0.69248(14) 0.0972(16) Uani 1 1 d . U . . .
C30_2 C 0.4676(6) 0.7569(7) 0.7078(3) 0.119(3) Uani 1 1 d . U . . .
C31_2 C 0.5140(8) 0.7762(9) 0.6833(3) 0.148(4) Uani 1 1 d . U . . .
H31_2 H 0.541382 0.735590 0.673490 0.177 Uiso 1 1 calc R U . . .
C32_2 C 0.5160(10) 0.8597(10) 0.6748(4) 0.182(5) Uani 1 1 d . U . . .
H32_2 H 0.548022 0.876179 0.659519 0.218 Uiso 1 1 calc R U . . .
C33_2 C 0.4736(12) 0.9191(12) 0.6874(5) 0.200(7) Uani 1 1 d . U . . .
H33_2 H 0.476712 0.974377 0.680491 0.240 Uiso 1 1 calc R U . . .
C34_2 C 0.4269(12) 0.8988(11) 0.7100(5) 0.207(7) Uani 1 1 d . U . . .
H34A_2 H 0.379553 0.915754 0.702023 0.249 Uiso 1 1 calc R U . . .
H34B_2 H 0.438591 0.932735 0.728751 0.249 Uiso 1 1 calc R U . . .
C35_2 C 0.4222(9) 0.8149(9) 0.7202(4) 0.174(5) Uani 1 1 d . U . . .
H35_2 H 0.388934 0.799110 0.734961 0.209 Uiso 1 1 calc R U . . .
C36_2 C 0.3843(6) 0.6252(7) 0.7353(3) 0.124(3) Uani 1 1 d . U . . .
C37_2 C 0.3679(7) 0.6211(8) 0.7668(3) 0.151(4) Uani 1 1 d . U . . .
H37_2 H 0.404956 0.629908 0.782042 0.181 Uiso 1 1 calc R U . . .
C38_2 C 0.3015(9) 0.6052(13) 0.7778(5) 0.192(6) Uani 1 1 d . U . . .
H38_2 H 0.293701 0.599819 0.799546 0.230 Uiso 1 1 calc R U . . .
C39_2 C 0.2479(9) 0.5976(12) 0.7555(5) 0.195(6) Uani 1 1 d . U . . .
H39_2 H 0.202233 0.587456 0.762688 0.234 Uiso 1 1 calc R U . . .
C40_2 C 0.2553(7) 0.6038(11) 0.7212(5) 0.183(5) Uani 1 1 d . U . . .
H40_2 H 0.216165 0.601184 0.706683 0.219 Uiso 1 1 calc R U . . .
C41_2 C 0.3267(6) 0.6143(9) 0.7111(4) 0.153(4) Uani 1 1 d . U . . .
H41_2 H 0.336274 0.614105 0.689449 0.183 Uiso 1 1 calc R U . . .
S1_3 S -0.0230(5) 0.5105(6) 0.3271(3) 0.306(4) Uiso 1 1 d D U . . .
O2_3 O 0.0032(11) 0.5931(10) 0.3126(5) 0.376(11) Uiso 1 1 d D U . . .
O3_3 O -0.0837(8) 0.5339(10) 0.3470(3) 0.266(7) Uiso 1 1 d D U . . .
O4_3 O 0.0244(10) 0.4521(13) 0.3376(5) 0.397(13) Uiso 1 1 d D U . . .
C5_3 C -0.0622(10) 0.4705(12) 0.2913(5) 0.380(17) Uiso 1 1 d D U . . .
F6_3 F -0.0843(9) 0.4060(10) 0.3056(5) 0.394(10) Uiso 1 1 d D U . . .
F7_3 F -0.0988(8) 0.5363(10) 0.2831(4) 0.316(7) Uiso 1 1 d D U . . .
F8_3 F 0.0037(8) 0.4686(9) 0.2770(3) 0.292(6) Uiso 1 1 d D 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
N1_1 C2_1 1.323(10) . ?
N1_1 C10_1 1.348(10) . ?
N1_1 Pt21_1 2.082(6) . ?
C2_1 C3_1 1.387(12) . ?
C2_1 H2_1 0.9300 . ?
C3_1 C4_1 1.407(14) . ?
C3_1 H3_1 0.9300 . ?
C4_1 C9_1 1.374(12) . ?
C4_1 C5_1 1.479(14) . ?
C5_1 C8_1 1.473(18) . ?
C5_1 C6_1 1.477(19) . ?
C5_1 C7_1 1.60(2) . ?
C6_1 H6A_1 0.9600 . ?
C6_1 H6AB_1 0.9600 . ?
C6_1 H6AC_1 0.9600 . ?
C7_1 H7A_1 0.9600 . ?
C7_1 H7AB_1 0.9600 . ?
C7_1 H7AC_1 0.9600 . ?
C8_1 H8A_1 0.9600 . ?
C8_1 H8AB_1 0.9600 . ?
C8_1 H8AC_1 0.9600 . ?
C9_1 C10_1 1.371(11) . ?
C9_1 H9_1 0.9300 . ?
C10_1 C11_1 1.504(11) . ?
C11_1 C12_1 1.376(11) . ?
C11_1 N20_1 1.378(10) . ?
C12_1 C13_1 1.350(13) . ?
C12_1 H12_1 0.9300 . ?
C13_1 C18_1 1.342(14) . ?
C13_1 C14_1 1.536(15) . ?
C14_1 C17_1 1.542(14) . ?
C14_1 C15_1 1.547(13) . ?
C14_1 C16_1 1.567(14) . ?
C15_1 H15A_1 0.9600 . ?
C15_1 H15B_1 0.9600 . ?
C15_1 H15C_1 0.9600 . ?
C16_1 H16A_1 0.9600 . ?
C16_1 H16B_1 0.9600 . ?
C16_1 H16C_1 0.9600 . ?
C17_1 H17A_1 0.9600 . ?
C17_1 H17B_1 0.9600 . ?
C17_1 H17C_1 0.9600 . ?
C18_1 C19_1 1.342(13) . ?
C18_1 H18_1 0.9300 . ?
C19_1 N20_1 1.345(10) . ?
C19_1 H19_1 0.9300 . ?
N20_1 Pt21_1 2.033(7) . ?
Pt21_1 C44_1 1.921(8) . ?
Pt21_1 C22_1 1.939(9) . ?
C22_1 C23_1 1.201(11) . ?
C23_1 C24_1 1.401(12) . ?
C24_1 C25_1 1.390(11) . ?
C24_1 C35_1 1.418(12) . ?
C25_1 C26_1 1.373(10) . ?
C25_1 H25_1 0.9300 . ?
C26_1 N27_1 1.355(9) . ?
C26_1 C28_1 1.482(10) . ?
N27_1 C36_1 1.328(9) . ?
N27_1 Lu66_1 2.482(6) 3_666 ?
C28_1 O29_1 1.258(8) . ?
C28_1 N30_1 1.330(9) . ?
O29_1 Lu66_1 2.333(5) 3_666 ?
N30_1 C33_1 1.459(8) . ?
N30_1 C31_1 1.501(9) . ?
C31_1 C32_1 1.513(13) . ?
C31_1 H31A_1 0.9700 . ?
C31_1 H31B_1 0.9700 . ?
C32_1 H32A_1 0.9600 . ?
C32_1 H32B_1 0.9600 . ?
C32_1 H32C_1 0.9600 . ?
C33_1 C34_1 1.518(12) . ?
C33_1 H33A_1 0.9700 . ?
C33_1 H33B_1 0.9700 . ?
C34_1 H34A_1 0.9600 . ?
C34_1 H34B_1 0.9600 . ?
C34_1 H34C_1 0.9600 . ?
C35_1 C36_1 1.360(11) . ?
C35_1 H35_1 0.9300 . ?
C36_1 C37_1 1.511(10) . ?
C37_1 O38_1 1.248(9) . ?
C37_1 N39_1 1.337(10) . ?
O38_1 Lu66_1 2.307(5) 3_666 ?
N39_1 C40_1 1.437(12) . ?
N39_1 C42_1 1.522(14) . ?
C40_1 C41_1 1.425(18) . ?
C40_1 H40A_1 0.9700 . ?
C40_1 H40B_1 0.9700 . ?
C41_1 H41A_1 0.9600 . ?
C41_1 H41B_1 0.9600 . ?
C41_1 H41C_1 0.9600 . ?
C44_1 C45_1 1.227(11) . ?
C43_1 C42_1 1.458(15) . ?
C43_1 H43A_1 0.9600 . ?
C43_1 H43B_1 0.9600 . ?
C43_1 H43C_1 0.9600 . ?
C42_1 H42A_1 0.9700 . ?
C42_1 H42B_1 0.9700 . ?
C45_1 C46_1 1.422(11) . ?
C46_1 C47_1 1.381(12) . ?
C46_1 C57_1 1.388(12) . ?
C47_1 C48_1 1.398(10) . ?
C47_1 H47_1 0.9300 . ?
C48_1 N49_1 1.331(9) . ?
C48_1 C50_1 1.509(11) . ?
N49_1 C58_1 1.344(9) . ?
N49_1 Lu66_1 2.477(5) . ?
C50_1 O51_1 1.248(9) . ?
C50_1 N52_1 1.305(11) . ?
O51_1 Lu66_1 2.287(5) . ?
N52_1 C53_1 1.500(14) . ?
N52_1 C55_1 1.551(14) . ?
C53_1 C54_1 1.471(15) . ?
C53_1 H53A_1 0.9700 . ?
C53_1 H53B_1 0.9700 . ?
C54_1 H54A_1 0.9600 . ?
C54_1 H54B_1 0.9600 . ?
C54_1 H54C_1 0.9600 . ?
C55_1 C56_1 1.519(16) . ?
C55_1 H55A_1 0.9700 . ?
C55_1 H55B_1 0.9700 . ?
C57_1 C58_1 1.395(10) . ?
C57_1 H57_1 0.9300 . ?
C56_1 H56A_1 0.9600 . ?
C56_1 H56B_1 0.9600 . ?
C56_1 H56C_1 0.9600 . ?
C58_1 C59_1 1.519(11) . ?
C59_1 O60_1 1.243(9) . ?
C59_1 N61_1 1.318(11) . ?
O60_1 Lu66_1 2.336(5) . ?
N61_1 C62_1 1.501(13) . ?
N61_1 C65_1 1.527(15) . ?
C62_1 C63_1 1.536(19) . ?
C62_1 H62A_1 0.9700 . ?
C62_1 H62B_1 0.9700 . ?
C63_1 H63A_1 0.9600 . ?
C63_1 H63B_1 0.9600 . ?
C63_1 H63C_1 0.9600 . ?
C64_1 C65_1 1.60(3) . ?
C64_1 H64A_1 0.9600 . ?
C64_1 H64B_1 0.9600 . ?
C64_1 H64C_1 0.9600 . ?
C65_1 H65A_1 0.9700 . ?
C65_1 H65B_1 0.9700 . ?
Lu66_1 O29_2 2.180(5) . ?
Lu66_1 O1_2 2.210(5) . ?
O1_2 P2_2 1.465(6) . ?
P2_2 C15_2 1.774(10) . ?
P2_2 C3_2 1.784(11) . ?
P2_2 C9_2 1.791(9) . ?
C3_2 C8_2 1.400(13) . ?
C3_2 C4_2 1.403(14) . ?
C4_2 C5_2 1.374(17) . ?
C4_2 H4_2 0.9300 . ?
C5_2 C6_2 1.314(19) . ?
C5_2 H5_2 0.9300 . ?
C6_2 C7_2 1.360(19) . ?
C6_2 H6_2 0.9300 . ?
C7_2 C8_2 1.341(17) . ?
C7_2 H7_2 0.9300 . ?
C8_2 H8_2 0.9300 . ?
C9_2 C10_2 1.367(13) . ?
C9_2 C14_2 1.407(12) . ?
C10_2 C11_2 1.372(13) . ?
C10_2 H10_2 0.9300 . ?
C11_2 C12_2 1.484(17) . ?
C11_2 H11_2 0.9300 . ?
C12_2 C13_2 1.344(17) . ?
C12_2 H12_2 0.9300 . ?
C13_2 C14_2 1.357(13) . ?
C13_2 H13_2 0.9300 . ?
C14_2 H14_2 0.9300 . ?
C15_2 C20_2 1.410(14) . ?
C15_2 C16_2 1.430(14) . ?
C16_2 C17_2 1.363(18) . ?
C16_2 H16_2 0.9300 . ?
C17_2 C18_2 1.32(2) . ?
C17_2 H17_2 0.9300 . ?
C18_2 C19_2 1.42(2) . ?
C18_2 H18_2 0.9300 . ?
C19_2 C20_2 1.365(15) . ?
C19_2 H19_2 0.9300 . ?
C20_2 O21_2 1.367(12) . ?
O21_2 C22_2 1.386(11) . ?
C22_2 C23_2 1.361(14) . ?
C22_2 C27_2 1.389(14) . ?
C23_2 C24_2 1.371(16) . ?
C23_2 H23_2 0.9300 . ?
C24_2 C25_2 1.328(18) . ?
C24_2 H24_2 0.9300 . ?
C25_2 C26_2 1.382(16) . ?
C25_2 H25_2 0.9300 . ?
C26_2 C27_2 1.384(14) . ?
C26_2 H26_2 0.9300 . ?
C27_2 P28_2 1.810(10) . ?
P28_2 O29_2 1.498(6) . ?
P28_2 C36_2 1.761(11) . ?
P28_2 C30_2 1.806(12) . ?
C30_2 C35_2 1.370(16) . ?
C30_2 C31_2 1.403(16) . ?
C31_2 C32_2 1.380(18) . ?
C31_2 H31_2 0.9300 . ?
C32_2 C33_2 1.36(2) . ?
C32_2 H32_2 0.9300 . ?
C33_2 C34_2 1.35(2) . ?
C33_2 H33_2 0.9300 . ?
C34_2 C35_2 1.41(2) . ?
C34_2 H34A_2 0.9700 . ?
C34_2 H34B_2 0.9700 . ?
C35_2 H35_2 0.9300 . ?
C36_2 C37_2 1.366(15) . ?
C36_2 C41_2 1.456(17) . ?
C37_2 C38_2 1.365(17) . ?
C37_2 H37_2 0.9300 . ?
C38_2 C39_2 1.34(2) . ?
C38_2 H38_2 0.9300 . ?
C39_2 C40_2 1.45(2) . ?
C39_2 H39_2 0.9300 . ?
C40_2 C41_2 1.424(16) . ?
C40_2 H40_2 0.9300 . ?
C41_2 H41_2 0.9300 . ?
S1_3 O4_3 1.345(14) . ?
S1_3 O3_3 1.482(13) . ?
S1_3 O2_3 1.538(14) . ?
S1_3 C5_3 1.755(19) . ?
C5_3 F6_3 1.266(17) . ?
C5_3 F7_3 1.291(17) . ?
C5_3 F8_3 1.391(16) . ?

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
C2_1 N1_1 C10_1 120.2(7) . . ?
C2_1 N1_1 Pt21_1 125.0(6) . . ?
C10_1 N1_1 Pt21_1 114.8(5) . . ?
N1_1 C2_1 C3_1 120.1(9) . . ?
N1_1 C2_1 H2_1 120.0 . . ?
C3_1 C2_1 H2_1 120.0 . . ?
C2_1 C3_1 C4_1 121.8(9) . . ?
C2_1 C3_1 H3_1 119.1 . . ?
C4_1 C3_1 H3_1 119.1 . . ?
C9_1 C4_1 C3_1 114.5(8) . . ?
C9_1 C4_1 C5_1 125.2(11) . . ?
C3_1 C4_1 C5_1 120.3(9) . . ?
C8_1 C5_1 C6_1 120.4(17) . . ?
C8_1 C5_1 C4_1 110.0(10) . . ?
C6_1 C5_1 C4_1 112.4(11) . . ?
C8_1 C5_1 C7_1 99.3(14) . . ?
C6_1 C5_1 C7_1 106.0(14) . . ?
C4_1 C5_1 C7_1 106.9(13) . . ?
C5_1 C6_1 H6A_1 109.5 . . ?
C5_1 C6_1 H6AB_1 109.5 . . ?
H6A_1 C6_1 H6AB_1 109.5 . . ?
C5_1 C6_1 H6AC_1 109.5 . . ?
H6A_1 C6_1 H6AC_1 109.5 . . ?
H6AB_1 C6_1 H6AC_1 109.5 . . ?
C5_1 C7_1 H7A_1 109.5 . . ?
C5_1 C7_1 H7AB_1 109.5 . . ?
H7A_1 C7_1 H7AB_1 109.5 . . ?
C5_1 C7_1 H7AC_1 109.5 . . ?
H7A_1 C7_1 H7AC_1 109.5 . . ?
H7AB_1 C7_1 H7AC_1 109.5 . . ?
C5_1 C8_1 H8A_1 109.5 . . ?
C5_1 C8_1 H8AB_1 109.5 . . ?
H8A_1 C8_1 H8AB_1 109.5 . . ?
C5_1 C8_1 H8AC_1 109.5 . . ?
H8A_1 C8_1 H8AC_1 109.5 . . ?
H8AB_1 C8_1 H8AC_1 109.5 . . ?
C10_1 C9_1 C4_1 122.7(9) . . ?
C10_1 C9_1 H9_1 118.7 . . ?
C4_1 C9_1 H9_1 118.7 . . ?
N1_1 C10_1 C9_1 120.3(8) . . ?
N1_1 C10_1 C11_1 115.4(6) . . ?
C9_1 C10_1 C11_1 124.3(8) . . ?
C12_1 C11_1 N20_1 121.8(8) . . ?
C12_1 C11_1 C10_1 124.4(7) . . ?
N20_1 C11_1 C10_1 113.8(6) . . ?
C13_1 C12_1 C11_1 120.5(9) . . ?
C13_1 C12_1 H12_1 119.7 . . ?
C11_1 C12_1 H12_1 119.7 . . ?
C18_1 C13_1 C12_1 117.5(9) . . ?
C18_1 C13_1 C14_1 121.1(10) . . ?
C12_1 C13_1 C14_1 121.1(10) . . ?
C13_1 C14_1 C17_1 108.7(10) . . ?
C13_1 C14_1 C15_1 112.4(9) . . ?
C17_1 C14_1 C15_1 111.0(10) . . ?
C13_1 C14_1 C16_1 107.2(11) . . ?
C17_1 C14_1 C16_1 109.1(9) . . ?
C15_1 C14_1 C16_1 108.2(9) . . ?
C14_1 C15_1 H15A_1 109.5 . . ?
C14_1 C15_1 H15B_1 109.5 . . ?
H15A_1 C15_1 H15B_1 109.5 . . ?
C14_1 C15_1 H15C_1 109.5 . . ?
H15A_1 C15_1 H15C_1 109.5 . . ?
H15B_1 C15_1 H15C_1 109.5 . . ?
C14_1 C16_1 H16A_1 109.5 . . ?
C14_1 C16_1 H16B_1 109.5 . . ?
H16A_1 C16_1 H16B_1 109.5 . . ?
C14_1 C16_1 H16C_1 109.5 . . ?
H16A_1 C16_1 H16C_1 109.5 . . ?
H16B_1 C16_1 H16C_1 109.5 . . ?
C14_1 C17_1 H17A_1 109.5 . . ?
C14_1 C17_1 H17B_1 109.5 . . ?
H17A_1 C17_1 H17B_1 109.5 . . ?
C14_1 C17_1 H17C_1 109.5 . . ?
H17A_1 C17_1 H17C_1 109.5 . . ?
H17B_1 C17_1 H17C_1 109.5 . . ?
C13_1 C18_1 C19_1 121.7(9) . . ?
C13_1 C18_1 H18_1 119.1 . . ?
C19_1 C18_1 H18_1 119.1 . . ?
C18_1 C19_1 N20_1 123.4(9) . . ?
C18_1 C19_1 H19_1 118.3 . . ?
N20_1 C19_1 H19_1 118.3 . . ?
C19_1 N20_1 C11_1 115.0(7) . . ?
C19_1 N20_1 Pt21_1 128.8(6) . . ?
C11_1 N20_1 Pt21_1 116.2(5) . . ?
C44_1 Pt21_1 C22_1 89.9(3) . . ?
C44_1 Pt21_1 N20_1 95.2(3) . . ?
C22_1 Pt21_1 N20_1 174.5(3) . . ?
C44_1 Pt21_1 N1_1 173.8(3) . . ?
C22_1 Pt21_1 N1_1 95.1(3) . . ?
N20_1 Pt21_1 N1_1 79.7(2) . . ?
C23_1 C22_1 Pt21_1 173.5(9) . . ?
C22_1 C23_1 C24_1 175.4(9) . . ?
C25_1 C24_1 C23_1 121.4(8) . . ?
C25_1 C24_1 C35_1 115.5(8) . . ?
C23_1 C24_1 C35_1 123.1(8) . . ?
C26_1 C25_1 C24_1 122.1(7) . . ?
C26_1 C25_1 H25_1 118.9 . . ?
C24_1 C25_1 H25_1 118.9 . . ?
N27_1 C26_1 C25_1 119.8(7) . . ?
N27_1 C26_1 C28_1 112.5(6) . . ?
C25_1 C26_1 C28_1 127.5(7) . . ?
C36_1 N27_1 C26_1 120.0(6) . . ?
C36_1 N27_1 Lu66_1 118.2(5) . 3_666 ?
C26_1 N27_1 Lu66_1 116.6(5) . 3_666 ?
O29_1 C28_1 N30_1 121.3(7) . . ?
O29_1 C28_1 C26_1 115.3(6) . . ?
N30_1 C28_1 C26_1 123.2(7) . . ?
C28_1 O29_1 Lu66_1 125.2(5) . 3_666 ?
C28_1 N30_1 C33_1 127.0(7) . . ?
C28_1 N30_1 C31_1 116.8(6) . . ?
C33_1 N30_1 C31_1 115.4(6) . . ?
N30_1 C31_1 C32_1 110.9(9) . . ?
N30_1 C31_1 H31A_1 109.5 . . ?
C32_1 C31_1 H31A_1 109.5 . . ?
N30_1 C31_1 H31B_1 109.5 . . ?
C32_1 C31_1 H31B_1 109.5 . . ?
H31A_1 C31_1 H31B_1 108.0 . . ?
C31_1 C32_1 H32A_1 109.5 . . ?
C31_1 C32_1 H32B_1 109.5 . . ?
H32A_1 C32_1 H32B_1 109.5 . . ?
C31_1 C32_1 H32C_1 109.5 . . ?
H32A_1 C32_1 H32C_1 109.5 . . ?
H32B_1 C32_1 H32C_1 109.5 . . ?
N30_1 C33_1 C34_1 113.1(8) . . ?
N30_1 C33_1 H33A_1 109.0 . . ?
C34_1 C33_1 H33A_1 109.0 . . ?
N30_1 C33_1 H33B_1 109.0 . . ?
C34_1 C33_1 H33B_1 109.0 . . ?
H33A_1 C33_1 H33B_1 107.8 . . ?
C33_1 C34_1 H34A_1 109.5 . . ?
C33_1 C34_1 H34B_1 109.5 . . ?
H34A_1 C34_1 H34B_1 109.5 . . ?
C33_1 C34_1 H34C_1 109.5 . . ?
H34A_1 C34_1 H34C_1 109.5 . . ?
H34B_1 C34_1 H34C_1 109.5 . . ?
C36_1 C35_1 C24_1 120.2(8) . . ?
C36_1 C35_1 H35_1 119.9 . . ?
C24_1 C35_1 H35_1 119.9 . . ?
N27_1 C36_1 C35_1 122.3(7) . . ?
N27_1 C36_1 C37_1 109.9(7) . . ?
C35_1 C36_1 C37_1 127.5(7) . . ?
O38_1 C37_1 N39_1 120.3(7) . . ?
O38_1 C37_1 C36_1 115.4(7) . . ?
N39_1 C37_1 C36_1 124.2(7) . . ?
C37_1 O38_1 Lu66_1 124.8(5) . 3_666 ?
C37_1 N39_1 C40_1 118.8(8) . . ?
C37_1 N39_1 C42_1 123.4(8) . . ?
C40_1 N39_1 C42_1 115.5(9) . . ?
C41_1 C40_1 N39_1 112.8(13) . . ?
C41_1 C40_1 H40A_1 109.0 . . ?
N39_1 C40_1 H40A_1 109.0 . . ?
C41_1 C40_1 H40B_1 109.0 . . ?
N39_1 C40_1 H40B_1 109.0 . . ?
H40A_1 C40_1 H40B_1 107.8 . . ?
C40_1 C41_1 H41A_1 109.5 . . ?
C40_1 C41_1 H41B_1 109.5 . . ?
H41A_1 C41_1 H41B_1 109.5 . . ?
C40_1 C41_1 H41C_1 109.5 . . ?
H41A_1 C41_1 H41C_1 109.5 . . ?
H41B_1 C41_1 H41C_1 109.5 . . ?
C45_1 C44_1 Pt21_1 179.3(10) . . ?
C42_1 C43_1 H43A_1 109.5 . . ?
C42_1 C43_1 H43B_1 109.5 . . ?
H43A_1 C43_1 H43B_1 109.5 . . ?
C42_1 C43_1 H43C_1 109.5 . . ?
H43A_1 C43_1 H43C_1 109.5 . . ?
H43B_1 C43_1 H43C_1 109.5 . . ?
C43_1 C42_1 N39_1 114.3(15) . . ?
C43_1 C42_1 H42A_1 108.7 . . ?
N39_1 C42_1 H42A_1 108.7 . . ?
C43_1 C42_1 H42B_1 108.7 . . ?
N39_1 C42_1 H42B_1 108.7 . . ?
H42A_1 C42_1 H42B_1 107.6 . . ?
C44_1 C45_1 C46_1 178.8(12) . . ?
C47_1 C46_1 C57_1 119.8(8) . . ?
C47_1 C46_1 C45_1 119.9(9) . . ?
C57_1 C46_1 C45_1 120.3(9) . . ?
C46_1 C47_1 C48_1 117.9(8) . . ?
C46_1 C47_1 H47_1 121.1 . . ?
C48_1 C47_1 H47_1 121.1 . . ?
N49_1 C48_1 C47_1 122.6(7) . . ?
N49_1 C48_1 C50_1 111.0(6) . . ?
C47_1 C48_1 C50_1 125.6(7) . . ?
C48_1 N49_1 C58_1 119.5(6) . . ?
C48_1 N49_1 Lu66_1 116.6(4) . . ?
C58_1 N49_1 Lu66_1 117.4(5) . . ?
O51_1 C50_1 N52_1 120.9(8) . . ?
O51_1 C50_1 C48_1 115.7(7) . . ?
N52_1 C50_1 C48_1 123.4(7) . . ?
C50_1 O51_1 Lu66_1 124.7(5) . . ?
C50_1 N52_1 C53_1 118.4(9) . . ?
C50_1 N52_1 C55_1 123.9(9) . . ?
C53_1 N52_1 C55_1 115.7(9) . . ?
C54_1 C53_1 N52_1 111.1(15) . . ?
C54_1 C53_1 H53A_1 109.4 . . ?
N52_1 C53_1 H53A_1 109.4 . . ?
C54_1 C53_1 H53B_1 109.4 . . ?
N52_1 C53_1 H53B_1 109.4 . . ?
H53A_1 C53_1 H53B_1 108.0 . . ?
C53_1 C54_1 H54A_1 109.5 . . ?
C53_1 C54_1 H54B_1 109.5 . . ?
H54A_1 C54_1 H54B_1 109.5 . . ?
C53_1 C54_1 H54C_1 109.5 . . ?
H54A_1 C54_1 H54C_1 109.5 . . ?
H54B_1 C54_1 H54C_1 109.5 . . ?
C56_1 C55_1 N52_1 103.6(13) . . ?
C56_1 C55_1 H55A_1 111.0 . . ?
N52_1 C55_1 H55A_1 111.0 . . ?
C56_1 C55_1 H55B_1 111.0 . . ?
N52_1 C55_1 H55B_1 111.0 . . ?
H55A_1 C55_1 H55B_1 109.0 . . ?
C46_1 C57_1 C58_1 118.9(8) . . ?
C46_1 C57_1 H57_1 120.6 . . ?
C58_1 C57_1 H57_1 120.6 . . ?
C55_1 C56_1 H56A_1 109.5 . . ?
C55_1 C56_1 H56B_1 109.5 . . ?
H56A_1 C56_1 H56B_1 109.5 . . ?
C55_1 C56_1 H56C_1 109.5 . . ?
H56A_1 C56_1 H56C_1 109.5 . . ?
H56B_1 C56_1 H56C_1 109.5 . . ?
N49_1 C58_1 C57_1 121.3(7) . . ?
N49_1 C58_1 C59_1 110.3(6) . . ?
C57_1 C58_1 C59_1 128.2(8) . . ?
O60_1 C59_1 N61_1 122.2(8) . . ?
O60_1 C59_1 C58_1 115.3(7) . . ?
N61_1 C59_1 C58_1 122.4(8) . . ?
C59_1 O60_1 Lu66_1 125.3(5) . . ?
C59_1 N61_1 C62_1 124.6(9) . . ?
C59_1 N61_1 C65_1 118.9(8) . . ?
C62_1 N61_1 C65_1 115.9(8) . . ?
N61_1 C62_1 C63_1 109.4(11) . . ?
N61_1 C62_1 H62A_1 109.8 . . ?
C63_1 C62_1 H62A_1 109.8 . . ?
N61_1 C62_1 H62B_1 109.8 . . ?
C63_1 C62_1 H62B_1 109.8 . . ?
H62A_1 C62_1 H62B_1 108.3 . . ?
C62_1 C63_1 H63A_1 109.5 . . ?
C62_1 C63_1 H63B_1 109.5 . . ?
H63A_1 C63_1 H63B_1 109.5 . . ?
C62_1 C63_1 H63C_1 109.5 . . ?
H63A_1 C63_1 H63C_1 109.5 . . ?
H63B_1 C63_1 H63C_1 109.5 . . ?
C65_1 C64_1 H64A_1 109.5 . . ?
C65_1 C64_1 H64B_1 109.5 . . ?
H64A_1 C64_1 H64B_1 109.5 . . ?
C65_1 C64_1 H64C_1 109.5 . . ?
H64A_1 C64_1 H64C_1 109.5 . . ?
H64B_1 C64_1 H64C_1 109.5 . . ?
N61_1 C65_1 C64_1 99.8(18) . . ?
N61_1 C65_1 H65A_1 111.8 . . ?
C64_1 C65_1 H65A_1 111.8 . . ?
N61_1 C65_1 H65B_1 111.8 . . ?
C64_1 C65_1 H65B_1 111.8 . . ?
H65A_1 C65_1 H65B_1 109.5 . . ?
O29_2 Lu66_1 O1_2 99.4(2) . . ?
O29_2 Lu66_1 O51_1 93.1(2) . . ?
O1_2 Lu66_1 O51_1 151.6(2) . . ?
O29_2 Lu66_1 O38_1 152.5(2) . 3_666 ?
O1_2 Lu66_1 O38_1 92.6(2) . 3_666 ?
O51_1 Lu66_1 O38_1 87.7(2) . 3_666 ?
O29_2 Lu66_1 O29_1 76.5(2) . 3_666 ?
O1_2 Lu66_1 O29_1 82.6(2) . 3_666 ?
O51_1 Lu66_1 O29_1 75.57(18) . 3_666 ?
O38_1 Lu66_1 O29_1 129.93(17) 3_666 3_666 ?
O29_2 Lu66_1 O60_1 82.5(2) . . ?
O1_2 Lu66_1 O60_1 76.50(19) . . ?
O51_1 Lu66_1 O60_1 130.76(17) . . ?
O38_1 Lu66_1 O60_1 76.32(19) 3_666 . ?
O29_1 Lu66_1 O60_1 147.41(18) 3_666 . ?
O29_2 Lu66_1 N49_1 82.9(2) . . ?
O1_2 Lu66_1 N49_1 140.8(2) . . ?
O51_1 Lu66_1 N49_1 65.88(19) . . ?
O38_1 Lu66_1 N49_1 72.34(19) 3_666 . ?
O29_1 Lu66_1 N49_1 134.90(19) 3_666 . ?
O60_1 Lu66_1 N49_1 64.90(19) . . ?
O29_2 Lu66_1 N27_1 141.5(2) . 3_666 ?
O1_2 Lu66_1 N27_1 80.3(2) . 3_666 ?
O51_1 Lu66_1 N27_1 74.2(2) . 3_666 ?
O38_1 Lu66_1 N27_1 64.91(18) 3_666 3_666 ?
O29_1 Lu66_1 N27_1 65.15(19) 3_666 3_666 ?
O60_1 Lu66_1 N27_1 133.4(2) . 3_666 ?
N49_1 Lu66_1 N27_1 121.5(2) . 3_666 ?
P2_2 O1_2 Lu66_1 170.3(4) . . ?
O1_2 P2_2 C15_2 113.5(4) . . ?
O1_2 P2_2 C3_2 110.0(4) . . ?
C15_2 P2_2 C3_2 105.4(5) . . ?
O1_2 P2_2 C9_2 111.3(4) . . ?
C15_2 P2_2 C9_2 108.0(4) . . ?
C3_2 P2_2 C9_2 108.4(5) . . ?
C8_2 C3_2 C4_2 118.4(11) . . ?
C8_2 C3_2 P2_2 118.6(8) . . ?
C4_2 C3_2 P2_2 122.9(8) . . ?
C5_2 C4_2 C3_2 121.3(13) . . ?
C5_2 C4_2 H4_2 119.3 . . ?
C3_2 C4_2 H4_2 119.3 . . ?
C6_2 C5_2 C4_2 116.5(14) . . ?
C6_2 C5_2 H5_2 121.7 . . ?
C4_2 C5_2 H5_2 121.7 . . ?
C5_2 C6_2 C7_2 124.8(14) . . ?
C5_2 C6_2 H6_2 117.6 . . ?
C7_2 C6_2 H6_2 117.6 . . ?
C8_2 C7_2 C6_2 119.9(13) . . ?
C8_2 C7_2 H7_2 120.0 . . ?
C6_2 C7_2 H7_2 120.0 . . ?
C7_2 C8_2 C3_2 118.6(12) . . ?
C7_2 C8_2 H8_2 120.7 . . ?
C3_2 C8_2 H8_2 120.7 . . ?
C10_2 C9_2 C14_2 117.9(8) . . ?
C10_2 C9_2 P2_2 119.0(7) . . ?
C14_2 C9_2 P2_2 123.1(8) . . ?
C9_2 C10_2 C11_2 124.9(10) . . ?
C9_2 C10_2 H10_2 117.6 . . ?
C11_2 C10_2 H10_2 117.6 . . ?
C10_2 C11_2 C12_2 113.6(11) . . ?
C10_2 C11_2 H11_2 123.2 . . ?
C12_2 C11_2 H11_2 123.2 . . ?
C13_2 C12_2 C11_2 121.6(10) . . ?
C13_2 C12_2 H12_2 119.2 . . ?
C11_2 C12_2 H12_2 119.2 . . ?
C12_2 C13_2 C14_2 120.5(11) . . ?
C12_2 C13_2 H13_2 119.7 . . ?
C14_2 C13_2 H13_2 119.7 . . ?
C13_2 C14_2 C9_2 120.9(11) . . ?
C13_2 C14_2 H14_2 119.5 . . ?
C9_2 C14_2 H14_2 119.5 . . ?
C20_2 C15_2 C16_2 114.8(10) . . ?
C20_2 C15_2 P2_2 123.6(7) . . ?
C16_2 C15_2 P2_2 121.6(10) . . ?
C17_2 C16_2 C15_2 123.3(15) . . ?
C17_2 C16_2 H16_2 118.3 . . ?
C15_2 C16_2 H16_2 118.3 . . ?
C18_2 C17_2 C16_2 119.6(15) . . ?
C18_2 C17_2 H17_2 120.2 . . ?
C16_2 C17_2 H17_2 120.2 . . ?
C17_2 C18_2 C19_2 121.0(15) . . ?
C17_2 C18_2 H18_2 119.5 . . ?
C19_2 C18_2 H18_2 119.5 . . ?
C20_2 C19_2 C18_2 119.6(15) . . ?
C20_2 C19_2 H19_2 120.2 . . ?
C18_2 C19_2 H19_2 120.2 . . ?
C19_2 C20_2 O21_2 122.6(12) . . ?
C19_2 C20_2 C15_2 121.5(11) . . ?
O21_2 C20_2 C15_2 115.9(9) . . ?
C20_2 O21_2 C22_2 120.4(8) . . ?
C23_2 C22_2 O21_2 123.5(10) . . ?
C23_2 C22_2 C27_2 120.6(10) . . ?
O21_2 C22_2 C27_2 115.9(9) . . ?
C22_2 C23_2 C24_2 119.0(12) . . ?
C22_2 C23_2 H23_2 120.5 . . ?
C24_2 C23_2 H23_2 120.5 . . ?
C25_2 C24_2 C23_2 122.3(12) . . ?
C25_2 C24_2 H24_2 118.9 . . ?
C23_2 C24_2 H24_2 118.9 . . ?
C24_2 C25_2 C26_2 119.3(12) . . ?
C24_2 C25_2 H25_2 120.4 . . ?
C26_2 C25_2 H25_2 120.4 . . ?
C25_2 C26_2 C27_2 120.4(13) . . ?
C25_2 C26_2 H26_2 119.8 . . ?
C27_2 C26_2 H26_2 119.8 . . ?
C26_2 C27_2 C22_2 118.3(10) . . ?
C26_2 C27_2 P28_2 120.4(9) . . ?
C22_2 C27_2 P28_2 121.3(7) . . ?
O29_2 P28_2 C36_2 111.2(4) . . ?
O29_2 P28_2 C30_2 110.6(5) . . ?
C36_2 P28_2 C30_2 107.8(6) . . ?
O29_2 P28_2 C27_2 115.3(4) . . ?
C36_2 P28_2 C27_2 105.7(5) . . ?
C30_2 P28_2 C27_2 106.0(5) . . ?
P28_2 O29_2 Lu66_1 170.6(4) . . ?
C35_2 C30_2 C31_2 122.6(13) . . ?
C35_2 C30_2 P28_2 122.5(11) . . ?
C31_2 C30_2 P28_2 114.8(9) . . ?
C32_2 C31_2 C30_2 115.0(15) . . ?
C32_2 C31_2 H31_2 122.5 . . ?
C30_2 C31_2 H31_2 122.5 . . ?
C33_2 C32_2 C31_2 123.4(19) . . ?
C33_2 C32_2 H32_2 118.3 . . ?
C31_2 C32_2 H32_2 118.3 . . ?
C34_2 C33_2 C32_2 120.7(19) . . ?
C34_2 C33_2 H33_2 119.7 . . ?
C32_2 C33_2 H33_2 119.7 . . ?
C33_2 C34_2 C35_2 119.3(18) . . ?
C33_2 C34_2 H34A_2 107.5 . . ?
C35_2 C34_2 H34A_2 107.5 . . ?
C33_2 C34_2 H34B_2 107.5 . . ?
C35_2 C34_2 H34B_2 107.5 . . ?
H34A_2 C34_2 H34B_2 107.0 . . ?
C30_2 C35_2 C34_2 118.7(16) . . ?
C30_2 C35_2 H35_2 120.7 . . ?
C34_2 C35_2 H35_2 120.7 . . ?
C37_2 C36_2 C41_2 118.3(11) . . ?
C37_2 C36_2 P28_2 126.7(10) . . ?
C41_2 C36_2 P28_2 114.9(9) . . ?
C38_2 C37_2 C36_2 125.2(16) . . ?
C38_2 C37_2 H37_2 117.4 . . ?
C36_2 C37_2 H37_2 117.4 . . ?
C39_2 C38_2 C37_2 116.5(17) . . ?
C39_2 C38_2 H38_2 121.8 . . ?
C37_2 C38_2 H38_2 121.8 . . ?
C38_2 C39_2 C40_2 125.4(15) . . ?
C38_2 C39_2 H39_2 117.3 . . ?
C40_2 C39_2 H39_2 117.3 . . ?
C41_2 C40_2 C39_2 115.4(16) . . ?
C41_2 C40_2 H40_2 122.3 . . ?
C39_2 C40_2 H40_2 122.3 . . ?
C40_2 C41_2 C36_2 118.9(14) . . ?
C40_2 C41_2 H41_2 120.6 . . ?
C36_2 C41_2 H41_2 120.6 . . ?
O4_3 S1_3 O3_3 119.9(12) . . ?
O4_3 S1_3 O2_3 120.4(12) . . ?
O3_3 S1_3 O2_3 105.5(9) . . ?
O4_3 S1_3 C5_3 105.8(11) . . ?
O3_3 S1_3 C5_3 105.6(10) . . ?
O2_3 S1_3 C5_3 96.0(10) . . ?
F6_3 C5_3 F7_3 127.2(15) . . ?
F6_3 C5_3 F8_3 119.8(14) . . ?
F7_3 C5_3 F8_3 111.9(13) . . ?
F6_3 C5_3 S1_3 91.5(14) . . ?
F7_3 C5_3 S1_3 97.4(15) . . ?
F8_3 C5_3 S1_3 91.6(13) . . ?

_refine_diff_density_max         1.627
_refine_diff_density_min         -1.119
_refine_diff_density_rms         0.128


