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

 
data_mo_156_11_0m_a_sq_s
 
_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           0.10
_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      0.0520
_diffrn_reflns_av_R_equivalents   0.1001
_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                 8946
_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_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)+(0.0633P)²+49.2176P] 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      678
_refine_ls_number_restraints      4
_refine_ls_R_factor_all           0.1047
_refine_ls_R_factor_gt            0.0660
_refine_ls_wR_factor_ref          0.1857
_refine_ls_wR_factor_gt           0.1532
_refine_ls_goodness_of_fit_ref    1.041
_refine_ls_restrained_S_all       1.041
_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 0.4785(6) 0.6372(6) 0.0279(5) 0.044(2) Uani 1 1 d . . . . .
C2_1 C 0.4417(9) 0.7104(8) -0.0062(7) 0.055(3) Uani 1 1 d . . . . .
H2_1 H 0.375001 0.721795 0.020724 0.066 Uiso 1 1 calc R U . . .
C3_1 C 0.4950(8) 0.7707(9) -0.0783(7) 0.057(3) Uani 1 1 d . . . . .
H3_1 H 0.464446 0.821981 -0.100060 0.069 Uiso 1 1 calc R U . . .
C4_1 C 0.5926(9) 0.7582(9) -0.1201(7) 0.056(3) Uani 1 1 d . . . . .
C5_1 C 0.6534(11) 0.8252(10) -0.1990(9) 0.082(5) Uani 1 1 d . . . . .
C6_1 C 0.7582(12) 0.7987(12) -0.2347(10) 0.103(6) Uani 1 1 d . . . . .
H6A_1 H 0.754484 0.740946 -0.245960 0.155 Uiso 1 1 calc R U . . .
H6AB_1 H 0.794130 0.793182 -0.195908 0.155 Uiso 1 1 calc R U . . .
H6AC_1 H 0.793917 0.844667 -0.285234 0.155 Uiso 1 1 calc R U . . .
C7_1 C 0.6014(14) 0.8262(12) -0.2612(9) 0.108(7) Uani 1 1 d . . . . .
H7A_1 H 0.636919 0.871139 -0.312531 0.162 Uiso 1 1 calc R U . . .
H7AB_1 H 0.532025 0.841260 -0.240602 0.162 Uiso 1 1 calc R U . . .
H7AC_1 H 0.601967 0.766822 -0.270150 0.162 Uiso 1 1 calc R U . . .
C8_1 C 0.655(2) 0.9134(14) -0.1836(16) 0.23(2) Uani 1 1 d . . . . .
H8A_1 H 0.698819 0.913423 -0.151268 0.349 Uiso 1 1 calc R U . . .
H8AB_1 H 0.587344 0.925041 -0.153920 0.349 Uiso 1 1 calc R U . . .
H8AC_1 H 0.681121 0.960411 -0.235442 0.349 Uiso 1 1 calc R U . . .
C9_1 C 0.6314(8) 0.6803(8) -0.0842(6) 0.050(3) Uani 1 1 d . . . . .
H9_1 H 0.698562 0.668914 -0.109697 0.060 Uiso 1 1 calc R U . . .
C10_1 C 0.5729(7) 0.6188(8) -0.0113(6) 0.042(2) Uani 1 1 d . . . . .
C11_1 C 0.6097(7) 0.5377(7) 0.0299(6) 0.040(2) Uani 1 1 d . . . . .
C12_1 C 0.7031(7) 0.5085(8) -0.0001(7) 0.046(3) Uani 1 1 d . . . . .
H12_1 H 0.747869 0.541993 -0.051382 0.055 Uiso 1 1 calc R U . . .
C13_1 C 0.7325(7) 0.4314(8) 0.0433(7) 0.047(3) Uani 1 1 d . . . . .
C14_1 C 0.8361(8) 0.3980(8) 0.0144(7) 0.054(3) Uani 1 1 d . . . . .
C15_1 C 0.9021(8) 0.4583(9) -0.0667(8) 0.062(3) Uani 1 1 d . . . . .
H15A_1 H 0.969290 0.436649 -0.080472 0.093 Uiso 1 1 calc R U . . .
H15B_1 H 0.906435 0.519844 -0.063177 0.093 Uiso 1 1 calc R U . . .
H15C_1 H 0.873341 0.457485 -0.108773 0.093 Uiso 1 1 calc R U . . .
C16_1 C 0.8843(10) 0.3984(13) 0.0793(10) 0.092(5) Uani 1 1 d . . . . .
H16A_1 H 0.846470 0.354655 0.130698 0.138 Uiso 1 1 calc R U . . .
H16B_1 H 0.883367 0.458425 0.086991 0.138 Uiso 1 1 calc R U . . .
H16C_1 H 0.953671 0.382407 0.061364 0.138 Uiso 1 1 calc R U . . .
C17_1 C 0.8298(8) 0.3033(8) 0.0106(7) 0.054(3) Uani 1 1 d . . . . .
H17A_1 H 0.797565 0.300620 -0.029037 0.082 Uiso 1 1 calc R U . . .
H17B_1 H 0.790452 0.264368 0.064169 0.082 Uiso 1 1 calc R U . . .
H17C_1 H 0.897445 0.282941 -0.005895 0.082 Uiso 1 1 calc R U . . .
C18_1 C 0.6616(8) 0.3824(8) 0.1166(7) 0.052(3) Uani 1 1 d . . . . .
H18_1 H 0.677325 0.327487 0.147380 0.062 Uiso 1 1 calc R U . . .
C19_1 C 0.5672(8) 0.4147(8) 0.1443(7) 0.049(3) Uani 1 1 d . . . . .
H19_1 H 0.520513 0.381682 0.194828 0.058 Uiso 1 1 calc R U . . .
N20_1 N 0.5413(6) 0.4895(6) 0.1024(5) 0.0393(19) Uani 1 1 d . . . . .
C21_1 C 0.2867(8) 0.6060(7) 0.1666(6) 0.042(2) Uani 1 1 d . . . . .
C22_1 C 0.2100(8) 0.6439(7) 0.1844(6) 0.047(3) Uani 1 1 d . . . . .
C23_1 C 0.1220(8) 0.6919(7) 0.1959(6) 0.044(2) Uani 1 1 d . . . . .
C24_1 C 0.1283(8) 0.7854(7) 0.1679(6) 0.044(3) Uani 1 1 d . . . . .
H24_1 H 0.191625 0.818686 0.142254 0.053 Uiso 1 1 calc R U . . .
C25_1 C 0.0416(8) 0.8283(7) 0.1780(6) 0.044(3) Uani 1 1 d . . . . .
N26_1 N -0.0499(6) 0.7853(6) 0.2180(5) 0.042(2) Uani 1 1 d . . . . .
C27_1 C 0.0267(7) 0.6460(7) 0.2360(6) 0.040(2) Uani 1 1 d . . . . .
H27_1 H 0.018863 0.582268 0.255330 0.048 Uiso 1 1 calc R U . . .
C28_1 C -0.0545(8) 0.6961(7) 0.2463(5) 0.040(2) Uani 1 1 d . . . . .
C29_1 C -0.1625(8) 0.6577(7) 0.2965(6) 0.045(3) Uani 1 1 d . . . . .
O30_1 O -0.2142(5) 0.7059(5) 0.3367(5) 0.054(2) Uani 1 1 d . . . . .
N31_1 N -0.1973(6) 0.5775(6) 0.3019(6) 0.053(2) Uani 1 1 d D . . . .
C32_1 C -0.1521(8) 0.5230(7) 0.2460(7) 0.053(3) Uani 1 1 d D . . . .
H32A_1 H -0.200884 0.511917 0.220451 0.064 Uiso 1 1 calc R U . . .
H32B_1 H -0.092523 0.557785 0.202271 0.064 Uiso 1 1 calc R U . . .
C33_1 C -0.1220(10) 0.4360(8) 0.2862(8) 0.066(4) Uani 1 1 d D . . . .
H33A_1 H -0.091299 0.403947 0.245860 0.100 Uiso 1 1 calc R U . . .
H33B_1 H -0.181072 0.399874 0.327856 0.100 Uiso 1 1 calc R U . . .
H33C_1 H -0.073528 0.446296 0.311588 0.100 Uiso 1 1 calc R U . . .
C34_1 C -0.3016(10) 0.5469(11) 0.3549(10) 0.083(5) Uani 1 1 d D . . . .
H34A_1 H -0.345000 0.596657 0.345965 0.099 Uiso 1 1 calc R U . . .
H34B_1 H -0.325040 0.496797 0.339725 0.099 Uiso 1 1 calc R U . . .
C35_1 C -0.311(2) 0.517(2) 0.4397(15) 0.217(16) Uani 1 1 d D . . . .
H35A_1 H -0.302636 0.452834 0.455520 0.326 Uiso 1 1 calc R U . . .
H35B_1 H -0.377561 0.528992 0.472389 0.326 Uiso 1 1 calc R U . . .
H35C_1 H -0.259625 0.550113 0.448930 0.326 Uiso 1 1 calc R U . . .
C36_1 C 0.0383(9) 0.9298(7) 0.1555(7) 0.051(3) Uani 1 1 d . . . . .
O37_1 O -0.0336(7) 0.9592(5) 0.2018(5) 0.064(2) Uani 1 1 d . . . . .
N38_1 N 0.1054(7) 0.9844(6) 0.0907(6) 0.062(3) Uani 1 1 d D . . . .
C39_1 C 0.1779(9) 0.9583(9) 0.0243(7) 0.067(4) Uani 1 1 d D . . . .
H39A_1 H 0.170953 0.993696 -0.027835 0.080 Uiso 1 1 calc R U . . .
H39B_1 H 0.163487 0.894067 0.030713 0.080 Uiso 1 1 calc R U . . .
C40_1 C 0.2850(10) 0.9733(10) 0.0220(9) 0.083(4) Uani 1 1 d D . . . .
H40A_1 H 0.331534 0.954882 -0.023090 0.125 Uiso 1 1 calc R U . . .
H40B_1 H 0.292354 0.937598 0.073261 0.125 Uiso 1 1 calc R U . . .
H40C_1 H 0.299934 1.037062 0.014522 0.125 Uiso 1 1 calc R U . . .
C42_1 C 0.0256(11) 1.1142(11) 0.0331(12) 0.102(6) Uani 1 1 d D . . . .
H42A_1 H 0.028525 1.179899 0.018108 0.152 Uiso 1 1 calc R U . . .
H42B_1 H -0.042544 1.089653 0.067776 0.152 Uiso 1 1 calc R U . . .
H42C_1 H 0.044168 1.094292 -0.016043 0.152 Uiso 1 1 calc R U . . .
C41_1 C 0.0969(10) 1.0816(8) 0.0783(10) 0.081(5) Uani 1 1 d D . . . .
H41A_1 H 0.163651 1.113972 0.047205 0.097 Uiso 1 1 calc R U . . .
H41B_1 H 0.072990 1.094210 0.131558 0.097 Uiso 1 1 calc R U . . .
C43_1 C 0.3558(7) 0.4543(7) 0.2426(6) 0.043(2) Uani 1 1 d . . . . .
C44_1 C 0.3270(8) 0.3975(7) 0.3080(6) 0.045(3) Uani 1 1 d . . . . .
C45_1 C 0.2993(7) 0.3306(7) 0.3840(6) 0.043(3) Uani 1 1 d . . . . .
C46_1 C 0.1985(7) 0.2976(7) 0.4256(6) 0.042(2) Uani 1 1 d . . . . .
H46_1 H 0.147628 0.317918 0.402842 0.051 Uiso 1 1 calc R U . . .
C47_1 C 0.1763(7) 0.2343(7) 0.5009(6) 0.040(2) Uani 1 1 d . . . . .
N48_1 N 0.2448(6) 0.2021(6) 0.5353(5) 0.0391(19) Uani 1 1 d . . . . .
C49_1 C 0.3425(8) 0.2303(7) 0.4936(6) 0.044(2) Uani 1 1 d . . . . .
C50_1 C 0.3705(7) 0.2955(7) 0.4199(6) 0.041(2) Uani 1 1 d . . . . .
H50_1 H 0.438896 0.316803 0.393254 0.050 Uiso 1 1 calc R U . . .
C51_1 C 0.4081(8) 0.1911(7) 0.5407(7) 0.048(3) Uani 1 1 d . . . . .
O52_1 O 0.3713(6) 0.1709(5) 0.6166(5) 0.0531(19) Uani 1 1 d . . . . .
N53_1 N 0.5034(7) 0.1766(6) 0.5052(6) 0.052(2) Uani 1 1 d . . . . .
C54_1 C 0.5496(8) 0.1795(8) 0.4200(7) 0.056(3) Uani 1 1 d . . . . .
H54A_1 H 0.496778 0.184435 0.394727 0.067 Uiso 1 1 calc R U . . .
H54B_1 H 0.580551 0.122327 0.417076 0.067 Uiso 1 1 calc R U . . .
C55_1 C 0.6305(9) 0.2584(10) 0.3707(9) 0.078(4) Uani 1 1 d . . . . .
H55A_1 H 0.658884 0.256085 0.314457 0.117 Uiso 1 1 calc R U . . .
H55B_1 H 0.683737 0.253624 0.394807 0.117 Uiso 1 1 calc R U . . .
H55C_1 H 0.600082 0.315451 0.371592 0.117 Uiso 1 1 calc R U . . .
C56_1 C 0.5636(11) 0.1425(11) 0.5577(10) 0.079(4) Uani 1 1 d . . . . .
H56A_1 H 0.544112 0.169023 0.603648 0.094 Uiso 1 1 calc R U . . .
H56B_1 H 0.635309 0.160547 0.526521 0.094 Uiso 1 1 calc R U . . .
C57_1 C 0.5482(18) 0.0411(16) 0.5899(17) 0.161(11) Uani 1 1 d . . . . .
H57A_1 H 0.553206 0.015519 0.545322 0.241 Uiso 1 1 calc R U . . .
H57B_1 H 0.481856 0.023830 0.631322 0.241 Uiso 1 1 calc R U . . .
H57C_1 H 0.599716 0.018273 0.614034 0.241 Uiso 1 1 calc R U . . .
C58_1 C 0.0719(7) 0.1983(7) 0.5579(6) 0.040(2) Uani 1 1 d . . . . .
O59_1 O 0.0582(5) 0.1860(5) 0.6310(4) 0.0460(18) Uani 1 1 d . . . . .
N60_1 N -0.0006(6) 0.1794(6) 0.5322(5) 0.048(2) Uani 1 1 d . . . . .
C61_1 C 0.0124(9) 0.1745(8) 0.4501(7) 0.059(3) Uani 1 1 d . . . . .
H61A_1 H -0.018093 0.116000 0.453829 0.071 Uiso 1 1 calc R U . . .
H61B_1 H 0.084827 0.177405 0.419598 0.071 Uiso 1 1 calc R U . . .
C62_1 C -0.0348(11) 0.2498(10) 0.4038(10) 0.087(5) Uani 1 1 d . . . . .
H62A_1 H -0.042004 0.234343 0.357031 0.131 Uiso 1 1 calc R U . . .
H62B_1 H 0.008023 0.305620 0.384899 0.131 Uiso 1 1 calc R U . . .
H62C_1 H -0.100918 0.257846 0.439638 0.131 Uiso 1 1 calc R U . . .
C63_1 C -0.0999(9) 0.1471(9) 0.5939(8) 0.069(4) Uani 1 1 d . . . . .
H63A_1 H -0.114257 0.181597 0.634162 0.083 Uiso 1 1 calc R U . . .
H63B_1 H -0.151690 0.158241 0.567266 0.083 Uiso 1 1 calc R U . . .
C64_1 C -0.1059(12) 0.0510(10) 0.6360(10) 0.093(5) Uani 1 1 d . . . . .
H64A_1 H -0.173509 0.032013 0.674938 0.139 Uiso 1 1 calc R U . . .
H64B_1 H -0.057235 0.040166 0.664868 0.139 Uiso 1 1 calc R U . . .
H64C_1 H -0.090892 0.016665 0.596260 0.139 Uiso 1 1 calc R U . . .
Pt65_1 Pt 0.40850(3) 0.54535(3) 0.13906(2) 0.04304(15) Uani 1 1 d . . . . .
La66_1 La 0.18955(5) 0.12780(4) 0.69384(4) 0.0494(2) Uani 1 1 d . . . . .
Cl1_2 Cl 0.2264(3) 0.3119(3) 0.9207(2) 0.0799(10) Uiso 1 1 d . . . . .
O2_2 O 0.1605(12) 0.3347(11) 0.9836(10) 0.146(5) Uiso 1 1 d . . . . .
O3_2 O 0.2823(12) 0.2399(11) 0.9498(10) 0.146(5) Uiso 1 1 d . . . . .
O4_2 O 0.3003(8) 0.3840(7) 0.8671(6) 0.086(3) Uiso 1 1 d . . . . .
O5_2 O 0.1764(7) 0.2802(7) 0.8759(6) 0.079(3) Uiso 1 1 d . . . . .
Cl6_2 Cl 0.2122(3) -0.0130(2) 0.5633(2) 0.0681(8) Uiso 1 1 d . . . . .
O7_2 O 0.2049(8) -0.1077(7) 0.5780(6) 0.081(3) Uiso 1 1 d . . . . .
O8_2 O 0.1397(8) 0.0092(7) 0.6331(6) 0.085(3) Uiso 1 1 d . . . . .
O9_2 O 0.1899(8) 0.0287(7) 0.4930(7) 0.088(3) Uiso 1 1 d . . . . .
O10_2 O 0.3089(9) 0.0198(8) 0.5577(7) 0.104(4) Uiso 1 1 d . . . . .
Cl11_2 Cl 0.3036(4) -0.0790(4) 0.7932(3) 0.1063(14) Uiso 1 1 d . . . . .
O12_2 O 0.2600(10) -0.0133(9) 0.7468(8) 0.120(4) Uiso 1 1 d . . . . .
O13_2 O 0.259(2) -0.106(2) 0.877(2) 0.281(13) Uiso 1 1 d . . . . .
O14_2 O 0.342(2) -0.1459(18) 0.7674(16) 0.239(10) Uiso 1 1 d . . . . .
O15_2 O 0.3685(19) -0.0141(17) 0.8088(16) 0.234(10) Uiso 1 1 d . . . . .
O2_3 O 0.2497(9) 0.1451(8) 0.8059(6) 0.097(4) 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 1.322(14) . ?
N1_1 C10_1 1.362(12) . ?
N1_1 Pt65_1 2.064(9) . ?
C2_1 C3_1 1.368(15) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.384(16) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C9_1 1.401(17) . ?
C4_1 C5_1 1.514(16) . ?
C5_1 C8_1 1.48(2) . ?
C5_1 C6_1 1.51(2) . ?
C5_1 C7_1 1.53(2) . ?
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 1.405(14) . ?
C9_1 H9_1 0.9500 . ?
C10_1 C11_1 1.458(15) . ?
C11_1 N20_1 1.374(12) . ?
C11_1 C12_1 1.377(14) . ?
C12_1 C13_1 1.380(16) . ?
C12_1 H12_1 0.9500 . ?
C13_1 C18_1 1.400(15) . ?
C13_1 C14_1 1.522(15) . ?
C14_1 C17_1 1.499(16) . ?
C14_1 C15_1 1.516(16) . ?
C14_1 C16_1 1.545(19) . ?
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 1.402(14) . ?
C18_1 H18_1 0.9500 . ?
C19_1 N20_1 1.321(14) . ?
C19_1 H19_1 0.9500 . ?
N20_1 Pt65_1 2.043(8) . ?
C21_1 C22_1 1.217(15) . ?
C21_1 Pt65_1 1.937(11) . ?
C22_1 C23_1 1.426(15) . ?
C23_1 C24_1 1.395(15) . ?
C23_1 C27_1 1.406(14) . ?
C24_1 C25_1 1.369(15) . ?
C24_1 H24_1 0.9500 . ?
C25_1 N26_1 1.344(13) . ?
C25_1 C36_1 1.520(15) . ?
N26_1 C28_1 1.334(13) . ?
N26_1 La66_1 2.708(8) 2_566 ?
C27_1 C28_1 1.367(14) . ?
C27_1 H27_1 0.9500 . ?
C28_1 C29_1 1.535(14) . ?
C29_1 O30_1 1.251(12) . ?
C29_1 N31_1 1.317(14) . ?
O30_1 La66_1 2.496(8) 2_566 ?
N31_1 C34_1 1.477(12) . ?
N31_1 C32_1 1.480(12) . ?
C32_1 C33_1 1.477(15) . ?
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 1.44(2) . ?
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 1.261(13) . ?
C36_1 N38_1 1.328(14) . ?
O37_1 La66_1 2.507(8) 2_566 ?
N38_1 C39_1 1.458(13) . ?
N38_1 C41_1 1.472(13) . ?
C39_1 C40_1 1.526(16) . ?
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 1.497(17) . ?
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 1.215(14) . ?
C43_1 Pt65_1 1.938(11) . ?
C44_1 C45_1 1.420(14) . ?
C45_1 C50_1 1.396(15) . ?
C45_1 C46_1 1.408(14) . ?
C46_1 C47_1 1.390(14) . ?
C46_1 H46_1 0.9500 . ?
C47_1 N48_1 1.336(13) . ?
C47_1 C58_1 1.512(13) . ?
N48_1 C49_1 1.356(13) . ?
N48_1 La66_1 2.642(8) . ?
C49_1 C50_1 1.378(14) . ?
C49_1 C51_1 1.473(15) . ?
C50_1 H50_1 0.9500 . ?
C51_1 O52_1 1.255(13) . ?
C51_1 N53_1 1.339(13) . ?
O52_1 La66_1 2.499(8) . ?
N53_1 C54_1 1.459(14) . ?
N53_1 C56_1 1.466(16) . ?
C54_1 C55_1 1.550(17) . ?
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 1.52(3) . ?
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 1.239(12) . ?
C58_1 N60_1 1.325(14) . ?
O59_1 La66_1 2.516(7) . ?
N60_1 C61_1 1.466(15) . ?
N60_1 C63_1 1.476(13) . ?
C61_1 C62_1 1.522(18) . ?
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 1.469(18) . ?
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 O12_2 2.471(14) . ?
La66_1 O2_3 2.528(10) . ?
La66_1 O8_2 2.608(10) . ?
Cl1_2 O2_2 1.350(16) . ?
Cl1_2 O5_2 1.420(10) . ?
Cl1_2 O3_2 1.438(16) . ?
Cl1_2 O4_2 1.442(11) . ?
Cl6_2 O9_2 1.396(11) . ?
Cl6_2 O7_2 1.421(10) . ?
Cl6_2 O10_2 1.433(12) . ?
Cl6_2 O8_2 1.472(11) . ?
Cl11_2 O14_2 1.30(3) . ?
Cl11_2 O13_2 1.38(3) . ?
Cl11_2 O12_2 1.404(14) . ?
Cl11_2 O15_2 1.52(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_1 119.0(9) . . ?
C2_1 N1_1 Pt65_1 126.7(7) . . ?
C10_1 N1_1 Pt65_1 114.3(7) . . ?
N1_1 C2_1 C3_1 123.1(11) . . ?
N1_1 C2_1 H2_1 118.4 . . ?
C3_1 C2_1 H2_1 118.4 . . ?
C2_1 C3_1 C4_1 121.1(12) . . ?
C2_1 C3_1 H3_1 119.4 . . ?
C4_1 C3_1 H3_1 119.4 . . ?
C3_1 C4_1 C9_1 115.7(10) . . ?
C3_1 C4_1 C5_1 121.8(13) . . ?
C9_1 C4_1 C5_1 122.4(11) . . ?
C8_1 C5_1 C6_1 111.4(16) . . ?
C8_1 C5_1 C4_1 107.6(14) . . ?
C6_1 C5_1 C4_1 113.3(13) . . ?
C8_1 C5_1 C7_1 112(2) . . ?
C6_1 C5_1 C7_1 105.6(14) . . ?
C4_1 C5_1 C7_1 107.1(12) . . ?
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_1 121.2(10) . . ?
C4_1 C9_1 H9_1 119.4 . . ?
C10_1 C9_1 H9_1 119.4 . . ?
N1_1 C10_1 C9_1 119.7(10) . . ?
N1_1 C10_1 C11_1 116.3(9) . . ?
C9_1 C10_1 C11_1 123.8(9) . . ?
N20_1 C11_1 C12_1 121.4(10) . . ?
N20_1 C11_1 C10_1 114.0(9) . . ?
C12_1 C11_1 C10_1 124.6(9) . . ?
C11_1 C12_1 C13_1 120.9(10) . . ?
C11_1 C12_1 H12_1 119.5 . . ?
C13_1 C12_1 H12_1 119.5 . . ?
C12_1 C13_1 C18_1 117.0(10) . . ?
C12_1 C13_1 C14_1 123.0(10) . . ?
C18_1 C13_1 C14_1 120.0(11) . . ?
C17_1 C14_1 C15_1 110.2(10) . . ?
C17_1 C14_1 C13_1 111.5(9) . . ?
C15_1 C14_1 C13_1 112.7(10) . . ?
C17_1 C14_1 C16_1 107.6(12) . . ?
C15_1 C14_1 C16_1 108.6(11) . . ?
C13_1 C14_1 C16_1 106.0(10) . . ?
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_1 119.9(11) . . ?
C13_1 C18_1 H18_1 120.1 . . ?
C19_1 C18_1 H18_1 120.1 . . ?
N20_1 C19_1 C18_1 122.1(10) . . ?
N20_1 C19_1 H19_1 119.0 . . ?
C18_1 C19_1 H19_1 119.0 . . ?
C19_1 N20_1 C11_1 118.7(9) . . ?
C19_1 N20_1 Pt65_1 125.3(7) . . ?
C11_1 N20_1 Pt65_1 115.9(7) . . ?
C22_1 C21_1 Pt65_1 179.6(10) . . ?
C21_1 C22_1 C23_1 173.8(11) . . ?
C24_1 C23_1 C27_1 118.4(10) . . ?
C24_1 C23_1 C22_1 121.0(10) . . ?
C27_1 C23_1 C22_1 120.6(10) . . ?
C25_1 C24_1 C23_1 118.8(10) . . ?
C25_1 C24_1 H24_1 120.6 . . ?
C23_1 C24_1 H24_1 120.6 . . ?
N26_1 C25_1 C24_1 123.3(10) . . ?
N26_1 C25_1 C36_1 112.3(10) . . ?
C24_1 C25_1 C36_1 123.9(10) . . ?
C28_1 N26_1 C25_1 117.1(9) . . ?
C28_1 N26_1 La66_1 117.2(6) . 2_566 ?
C25_1 N26_1 La66_1 116.9(7) . 2_566 ?
C28_1 C27_1 C23_1 117.7(10) . . ?
C28_1 C27_1 H27_1 121.1 . . ?
C23_1 C27_1 H27_1 121.1 . . ?
N26_1 C28_1 C27_1 124.6(10) . . ?
N26_1 C28_1 C29_1 110.9(9) . . ?
C27_1 C28_1 C29_1 124.4(9) . . ?
O30_1 C29_1 N31_1 121.6(9) . . ?
O30_1 C29_1 C28_1 115.1(10) . . ?
N31_1 C29_1 C28_1 123.2(9) . . ?
C29_1 O30_1 La66_1 126.7(7) . 2_566 ?
C29_1 N31_1 C34_1 117.9(10) . . ?
C29_1 N31_1 C32_1 125.9(9) . . ?
C34_1 N31_1 C32_1 114.5(10) . . ?
C33_1 C32_1 N31_1 113.5(10) . . ?
C33_1 C32_1 H32A_1 108.9 . . ?
N31_1 C32_1 H32A_1 108.9 . . ?
C33_1 C32_1 H32B_1 108.9 . . ?
N31_1 C32_1 H32B_1 108.9 . . ?
H32A_1 C32_1 H32B_1 107.7 . . ?
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_1 112.3(17) . . ?
C35_1 C34_1 H34A_1 109.1 . . ?
N31_1 C34_1 H34A_1 109.1 . . ?
C35_1 C34_1 H34B_1 109.1 . . ?
N31_1 C34_1 H34B_1 109.1 . . ?
H34A_1 C34_1 H34B_1 107.9 . . ?
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_1 121.7(10) . . ?
O37_1 C36_1 C25_1 115.7(9) . . ?
N38_1 C36_1 C25_1 122.6(10) . . ?
C36_1 O37_1 La66_1 127.5(7) . 2_566 ?
C36_1 N38_1 C39_1 126.2(10) . . ?
C36_1 N38_1 C41_1 117.2(10) . . ?
C39_1 N38_1 C41_1 116.0(10) . . ?
N38_1 C39_1 C40_1 111.7(12) . . ?
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_1 107.9 . . ?
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_1 110.5(12) . . ?
N38_1 C41_1 H41A_1 109.6 . . ?
C42_1 C41_1 H41A_1 109.6 . . ?
N38_1 C41_1 H41B_1 109.6 . . ?
C42_1 C41_1 H41B_1 109.6 . . ?
H41A_1 C41_1 H41B_1 108.1 . . ?
C44_1 C43_1 Pt65_1 177.0(10) . . ?
C43_1 C44_1 C45_1 176.6(11) . . ?
C50_1 C45_1 C46_1 118.0(9) . . ?
C50_1 C45_1 C44_1 121.4(9) . . ?
C46_1 C45_1 C44_1 120.7(10) . . ?
C47_1 C46_1 C45_1 117.6(10) . . ?
C47_1 C46_1 H46_1 121.2 . . ?
C45_1 C46_1 H46_1 121.2 . . ?
N48_1 C47_1 C46_1 123.9(9) . . ?
N48_1 C47_1 C58_1 110.8(8) . . ?
C46_1 C47_1 C58_1 125.1(9) . . ?
C47_1 N48_1 C49_1 118.6(9) . . ?
C47_1 N48_1 La66_1 119.8(6) . . ?
C49_1 N48_1 La66_1 118.8(7) . . ?
N48_1 C49_1 C50_1 121.0(9) . . ?
N48_1 C49_1 C51_1 112.0(9) . . ?
C50_1 C49_1 C51_1 126.6(10) . . ?
C49_1 C50_1 C45_1 120.7(9) . . ?
C49_1 C50_1 H50_1 119.7 . . ?
C45_1 C50_1 H50_1 119.7 . . ?
O52_1 C51_1 N53_1 120.1(10) . . ?
O52_1 C51_1 C49_1 117.5(9) . . ?
N53_1 C51_1 C49_1 122.4(10) . . ?
C51_1 O52_1 La66_1 123.8(7) . . ?
C51_1 N53_1 C54_1 125.8(10) . . ?
C51_1 N53_1 C56_1 117.7(10) . . ?
C54_1 N53_1 C56_1 116.0(10) . . ?
N53_1 C54_1 C55_1 113.7(11) . . ?
N53_1 C54_1 H54A_1 108.8 . . ?
C55_1 C54_1 H54A_1 108.8 . . ?
N53_1 C54_1 H54B_1 108.8 . . ?
C55_1 C54_1 H54B_1 108.8 . . ?
H54A_1 C54_1 H54B_1 107.7 . . ?
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_1 110.5(14) . . ?
N53_1 C56_1 H56A_1 109.6 . . ?
C57_1 C56_1 H56A_1 109.6 . . ?
N53_1 C56_1 H56B_1 109.6 . . ?
C57_1 C56_1 H56B_1 109.6 . . ?
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_1 121.5(9) . . ?
O59_1 C58_1 C47_1 115.7(10) . . ?
N60_1 C58_1 C47_1 122.8(9) . . ?
C58_1 O59_1 La66_1 122.3(6) . . ?
C58_1 N60_1 C61_1 125.6(9) . . ?
C58_1 N60_1 C63_1 117.4(10) . . ?
C61_1 N60_1 C63_1 116.3(10) . . ?
N60_1 C61_1 C62_1 112.6(12) . . ?
N60_1 C61_1 H61A_1 109.1 . . ?
C62_1 C61_1 H61A_1 109.1 . . ?
N60_1 C61_1 H61B_1 109.1 . . ?
C62_1 C61_1 H61B_1 109.1 . . ?
H61A_1 C61_1 H61B_1 107.8 . . ?
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_1 112.2(11) . . ?
C64_1 C63_1 H63A_1 109.2 . . ?
N60_1 C63_1 H63A_1 109.2 . . ?
C64_1 C63_1 H63B_1 109.2 . . ?
N60_1 C63_1 H63B_1 109.2 . . ?
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 . . ?
C21_1 Pt65_1 C43_1 89.2(4) . . ?
C21_1 Pt65_1 N20_1 175.7(4) . . ?
C43_1 Pt65_1 N20_1 95.1(4) . . ?
C21_1 Pt65_1 N1_1 96.3(4) . . ?
C43_1 Pt65_1 N1_1 174.3(4) . . ?
N20_1 Pt65_1 N1_1 79.3(3) . . ?
O12_2 La66_1 O30_1 142.1(4) . 2_566 ?
O12_2 La66_1 O52_1 80.4(4) . . ?
O30_1 La66_1 O52_1 73.1(2) 2_566 . ?
O12_2 La66_1 O37_1 80.0(4) . 2_566 ?
O30_1 La66_1 O37_1 121.5(2) 2_566 2_566 ?
O52_1 La66_1 O37_1 159.9(3) . 2_566 ?
O12_2 La66_1 O59_1 141.5(4) . . ?
O30_1 La66_1 O59_1 76.3(3) 2_566 . ?
O52_1 La66_1 O59_1 120.9(2) . . ?
O37_1 La66_1 O59_1 78.1(3) 2_566 . ?
O12_2 La66_1 O2_3 71.8(4) . . ?
O30_1 La66_1 O2_3 77.2(3) 2_566 . ?
O52_1 La66_1 O2_3 79.7(3) . . ?
O37_1 La66_1 O2_3 89.8(4) 2_566 . ?
O59_1 La66_1 O2_3 138.8(3) . . ?
O12_2 La66_1 O8_2 73.1(4) . . ?
O30_1 La66_1 O8_2 139.5(3) 2_566 . ?
O52_1 La66_1 O8_2 105.1(3) . . ?
O37_1 La66_1 O8_2 73.4(3) 2_566 . ?
O59_1 La66_1 O8_2 70.4(3) . . ?
O2_3 La66_1 O8_2 143.2(3) . . ?
O12_2 La66_1 N48_1 119.1(4) . . ?
O30_1 La66_1 N48_1 70.5(3) 2_566 . ?
O52_1 La66_1 N48_1 61.5(3) . . ?
O37_1 La66_1 N48_1 133.9(3) 2_566 . ?
O59_1 La66_1 N48_1 61.0(2) . . ?
O2_3 La66_1 N48_1 134.9(4) . . ?
O8_2 La66_1 N48_1 73.5(3) . . ?
O12_2 La66_1 N26_1 126.6(4) . 2_566 ?
O30_1 La66_1 N26_1 60.8(2) 2_566 2_566 ?
O52_1 La66_1 N26_1 130.3(3) . 2_566 ?
O37_1 La66_1 N26_1 60.7(3) 2_566 2_566 ?
O59_1 La66_1 N26_1 66.4(2) . 2_566 ?
O2_3 La66_1 N26_1 73.3(3) . 2_566 ?
O8_2 La66_1 N26_1 121.5(3) . 2_566 ?
N48_1 La66_1 N26_1 114.2(2) . 2_566 ?
O2_2 Cl1_2 O5_2 111.2(9) . . ?
O2_2 Cl1_2 O3_2 110.2(10) . . ?
O5_2 Cl1_2 O3_2 106.6(8) . . ?
O2_2 Cl1_2 O4_2 113.1(9) . . ?
O5_2 Cl1_2 O4_2 110.0(6) . . ?
O3_2 Cl1_2 O4_2 105.4(8) . . ?
O9_2 Cl6_2 O7_2 109.7(7) . . ?
O9_2 Cl6_2 O10_2 111.0(7) . . ?
O7_2 Cl6_2 O10_2 111.9(7) . . ?
O9_2 Cl6_2 O8_2 109.5(6) . . ?
O7_2 Cl6_2 O8_2 108.3(6) . . ?
O10_2 Cl6_2 O8_2 106.3(7) . . ?
Cl6_2 O8_2 La66_1 120.6(6) . . ?
O14_2 Cl11_2 O13_2 110.4(17) . . ?
O14_2 Cl11_2 O12_2 120.5(14) . . ?
O13_2 Cl11_2 O12_2 118.8(15) . . ?
O14_2 Cl11_2 O15_2 120.2(16) . . ?
O13_2 Cl11_2 O15_2 84.7(15) . . ?
O12_2 Cl11_2 O15_2 96.3(12) . . ?
Cl11_2 O12_2 La66_1 162.2(9) . . ?
 
_refine_diff_density_max    2.375
_refine_diff_density_min   -3.317
_refine_diff_density_rms    0.159



# 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                           ?

