# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_Ni420Ot180
_database_code_depnum_ccdc_archive 'CCDC 2217067'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2023-01-29 deposited with the CCDC.	2023-02-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H72 N2 Ni4.20 O12 Pt1.80'
_chemical_formula_weight         1418.78

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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                   11.0302(12)
_cell_length_b                   11.8415(14)
_cell_length_c                   11.9367(14)
_cell_angle_alpha                89.874(4)
_cell_angle_beta                 64.953(4)
_cell_angle_gamma                70.960(4)
_cell_volume                     1318.3(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9978
_cell_measurement_theta_min      2.1835
_cell_measurement_theta_max      36.8035

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.787
_exptl_crystal_F_000             704
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    6.282
_shelx_estimated_absorpt_T_min   0.398
_shelx_estimated_absorpt_T_max   0.519
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.0867
_exptl_absorpt_correction_T_max  0.2228
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1644 (selected reflections only, before parameter refinement)
 R(int) = 0.0712(selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            24906
_diffrn_reflns_av_unetI/netI     0.0567
_diffrn_reflns_av_R_equivalents  0.0834
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.907
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5738
_reflns_number_gt                4711
_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       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_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)+(0.0302P)²] 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         5738
_refine_ls_number_parameters     296
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0332
_refine_ls_wR_factor_ref         0.0762
_refine_ls_wR_factor_gt          0.0724
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_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
Ni1 Ni 0.16550(3) 0.54180(2) 0.45437(3) 0.02056(10) Uani 0.632(2) 1 d . . P A 1
Pt1 Pt 0.16550(3) 0.54180(2) 0.45437(3) 0.02056(10) Uani 0.368(2) 1 d . . P A 2
Ni2 Ni -0.09720(3) 0.67761(2) 0.54483(3) 0.02099(11) Uani 0.644(2) 1 d . . P A
1
Pt2 Pt -0.09720(3) 0.67761(2) 0.54483(3) 0.02099(11) Uani 0.356(2) 1 d . . P A
2
Ni3 Ni 0.02650(4) 0.54275(3) 0.33262(4) 0.02258(14) Uani 0.8176(19) 1 d . . P A
1
Pt3 Pt 0.02650(4) 0.54275(3) 0.33262(4) 0.02258(14) Uani 0.1824(19) 1 d . . P A
2
C1 C 0.3227(5) 0.4779(4) 0.4733(4) 0.0339(11) Uani 1 1 d . . . . .
C2 C 0.0528(5) 0.6842(4) 0.5865(4) 0.0304(10) Uani 1 1 d . . . . .
C3 C -0.2576(5) 0.7803(4) 0.6647(5) 0.0320(11) Uani 1 1 d . . . . .
C4 C -0.1482(5) 0.6830(4) 0.4039(4) 0.0301(10) Uani 1 1 d . . . . .
C5 C 0.0223(5) 0.4888(4) 0.2000(5) 0.0383(12) Uani 1 1 d . . . . .
C6 C 0.2306(5) 0.4859(4) 0.2777(4) 0.0325(11) Uani 1 1 d . . . . .
O1 O 0.4228(4) 0.4297(3) 0.4864(4) 0.0524(10) Uani 1 1 d . . . . .
O2 O 0.0699(4) 0.7450(3) 0.6528(3) 0.0446(9) Uani 1 1 d . . . . .
O3 O -0.3632(4) 0.8453(3) 0.7441(3) 0.0419(9) Uani 1 1 d . . . . .
O4 O -0.2355(4) 0.7442(3) 0.3765(3) 0.0392(8) Uani 1 1 d . . . . .
O5 O 0.0225(5) 0.4528(4) 0.1100(4) 0.0583(11) Uani 1 1 d . . . . .
O6 O 0.3366(4) 0.4438(3) 0.1854(3) 0.0484(10) Uani 1 1 d . . . . .
N1 N 0.4579(3) 0.7912(3) 0.2639(3) 0.0200(7) Uani 1 1 d . . . . .
C101 C 0.5407(4) 0.6588(3) 0.2587(4) 0.0218(9) Uani 1 1 d . . . . .
H10A H 0.6275 0.6536 0.2677 0.026 Uiso 1 1 calc R U . . .
H10B H 0.4805 0.6294 0.3316 0.026 Uiso 1 1 calc R U . . .
C102 C 0.5869(4) 0.5740(3) 0.1410(4) 0.0238(9) Uani 1 1 d . . . . .
H10C H 0.5019 0.5774 0.1298 0.029 Uiso 1 1 calc R U . . .
H10D H 0.6514 0.5990 0.0668 0.029 Uiso 1 1 calc R U . . .
C103 C 0.6643(5) 0.4461(4) 0.1532(4) 0.0302(10) Uani 1 1 d . . . . .
H10E H 0.5991 0.4226 0.2281 0.036 Uiso 1 1 calc R U . . .
H10F H 0.7481 0.4442 0.1656 0.036 Uiso 1 1 calc R U . . .
C104 C 0.7148(5) 0.3550(4) 0.0388(4) 0.0341(11) Uani 1 1 d . . . . .
H10G H 0.6323 0.3569 0.0256 0.051 Uiso 1 1 calc R U . . .
H10H H 0.7614 0.2737 0.0520 0.051 Uiso 1 1 calc R U . . .
H10I H 0.7832 0.3755 -0.0350 0.051 Uiso 1 1 calc R U . . .
C105 C 0.5345(4) 0.8371(3) 0.1452(4) 0.0221(9) Uani 1 1 d . . . . .
H10J H 0.4784 0.9237 0.1532 0.027 Uiso 1 1 calc R U . . .
H10K H 0.5357 0.7929 0.0742 0.027 Uiso 1 1 calc R U . . .
C106 C 0.6886(4) 0.8240(4) 0.1137(4) 0.0241(9) Uani 1 1 d . . . . .
H10L H 0.6889 0.8710 0.1820 0.029 Uiso 1 1 calc R U . . .
H10M H 0.7459 0.7380 0.1065 0.029 Uiso 1 1 calc R U . . .
C107 C 0.7554(5) 0.8690(4) -0.0081(4) 0.0303(10) Uani 1 1 d . . . . .
H10N H 0.6953 0.9540 -0.0016 0.036 Uiso 1 1 calc R U . . .
H10O H 0.7573 0.8201 -0.0764 0.036 Uiso 1 1 calc R U . . .
C108 C 0.9073(5) 0.8619(4) -0.0411(4) 0.0358(11) Uani 1 1 d . . . . .
H10P H 0.9053 0.9149 0.0232 0.054 Uiso 1 1 calc R U . . .
H10Q H 0.9478 0.8879 -0.1225 0.054 Uiso 1 1 calc R U . . .
H10R H 0.9667 0.7784 -0.0452 0.054 Uiso 1 1 calc R U . . .
C109 C 0.4473(4) 0.8650(3) 0.3750(4) 0.0205(8) Uani 1 1 d . . . . .
H10S H 0.5454 0.8482 0.3656 0.025 Uiso 1 1 calc R U . . .
H10T H 0.4065 0.9520 0.3712 0.025 Uiso 1 1 calc R U . . .
C110 C 0.3571(4) 0.8410(4) 0.5038(4) 0.0243(9) Uani 1 1 d . . . . .
H11A H 0.3870 0.7529 0.5055 0.029 Uiso 1 1 calc R U . . .
H11B H 0.2547 0.8719 0.5218 0.029 Uiso 1 1 calc R U . . .
C111 C 0.3768(5) 0.9043(4) 0.6032(4) 0.0266(9) Uani 1 1 d . . . . .
H11C H 0.4805 0.8810 0.5784 0.032 Uiso 1 1 calc R U . . .
H11D H 0.3367 0.9930 0.6071 0.032 Uiso 1 1 calc R U . . .
C112 C 0.3040(5) 0.8720(4) 0.7320(4) 0.0320(10) Uani 1 1 d . . . . .
H11E H 0.2008 0.8974 0.7581 0.048 Uiso 1 1 calc R U . . .
H11F H 0.3203 0.9135 0.7923 0.048 Uiso 1 1 calc R U . . .
H11G H 0.3439 0.7843 0.7287 0.048 Uiso 1 1 calc R U . . .
C113 C 0.3107(4) 0.8021(3) 0.2782(4) 0.0203(8) Uani 1 1 d . . . . .
H11H H 0.2670 0.7622 0.3496 0.024 Uiso 1 1 calc R U . . .
H11I H 0.3231 0.7572 0.2019 0.024 Uiso 1 1 calc R U . . .
C114 C 0.2056(4) 0.9318(3) 0.2996(4) 0.0231(9) Uani 1 1 d . . . . .
H11J H 0.2030 0.9813 0.3679 0.028 Uiso 1 1 calc R U . . .
H11K H 0.2392 0.9679 0.2225 0.028 Uiso 1 1 calc R U . . .
C115 C 0.0555(4) 0.9335(4) 0.3338(4) 0.0241(9) Uani 1 1 d . . . . .
H11L H -0.0103 1.0186 0.3522 0.029 Uiso 1 1 calc R U . . .
H11M H 0.0228 0.8977 0.4113 0.029 Uiso 1 1 calc R U . . .
C116 C 0.0445(5) 0.8651(4) 0.2322(4) 0.0298(10) Uani 1 1 d . . . . .
H11N H 0.0837 0.8954 0.1531 0.045 Uiso 1 1 calc R U . . .
H11O H -0.0563 0.8774 0.2570 0.045 Uiso 1 1 calc R U . . .
H11P H 0.0990 0.7785 0.2211 0.045 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 C1 1.762(5) . ?
Ni1 C6 1.954(5) . ?
Ni1 C2 1.964(4) . ?
Ni1 Ni3 2.5176(5) . ?
Ni1 Ni2 2.5429(5) . ?
Ni1 Ni2 2.9307(5) 2_566 ?
Ni1 Ni3 2.9606(5) 2_566 ?
Pt1 C1 1.762(5) . ?
Pt1 C6 1.954(5) . ?
Pt1 C2 1.964(4) . ?
Pt1 Pt3 2.5176(5) . ?
Pt1 Pt2 2.5429(5) . ?
Pt1 Pt2 2.9307(5) 2_566 ?
Pt1 Pt3 2.9606(5) 2_566 ?
Ni2 C3 1.765(5) . ?
Ni2 C2 1.942(4) . ?
Ni2 C4 1.981(4) . ?
Ni2 Ni3 2.5491(5) . ?
Ni2 Ni1 2.9307(5) 2_566 ?
Pt2 C3 1.765(5) . ?
Pt2 C2 1.942(4) . ?
Pt2 C4 1.981(4) . ?
Pt2 Pt3 2.5491(5) . ?
Pt2 Pt1 2.9307(5) 2_566 ?
Pt2 Pt3 3.0297(5) 2_566 ?
Ni3 C5 1.733(5) . ?
Ni3 C6 1.928(5) . ?
Ni3 C4 1.930(4) . ?
Ni3 Ni1 2.9606(5) 2_566 ?
Pt3 C5 1.733(5) . ?
Pt3 C6 1.928(5) . ?
Pt3 C4 1.930(4) . ?
Pt3 Pt1 2.9606(5) 2_566 ?
Pt3 Pt2 3.0297(5) 2_566 ?
C1 O1 1.142(5) . ?
C2 O2 1.183(5) . ?
C3 O3 1.153(6) . ?
C4 O4 1.170(5) . ?
C5 O5 1.156(6) . ?
C6 O6 1.166(6) . ?
N1 C105 1.517(5) . ?
N1 C113 1.520(5) . ?
N1 C101 1.521(5) . ?
N1 C109 1.531(5) . ?
C101 C102 1.519(5) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 C103 1.518(5) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C103 C104 1.520(5) . ?
C103 H10E 0.9900 . ?
C103 H10F 0.9900 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 C106 1.530(5) . ?
C105 H10J 0.9900 . ?
C105 H10K 0.9900 . ?
C106 C107 1.511(6) . ?
C106 H10L 0.9900 . ?
C106 H10M 0.9900 . ?
C107 C108 1.523(6) . ?
C107 H10N 0.9900 . ?
C107 H10O 0.9900 . ?
C108 H10P 0.9800 . ?
C108 H10Q 0.9800 . ?
C108 H10R 0.9800 . ?
C109 C110 1.524(5) . ?
C109 H10S 0.9900 . ?
C109 H10T 0.9900 . ?
C110 C111 1.531(5) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 C112 1.519(6) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C113 C114 1.535(5) . ?
C113 H11H 0.9900 . ?
C113 H11I 0.9900 . ?
C114 C115 1.521(5) . ?
C114 H11J 0.9900 . ?
C114 H11K 0.9900 . ?
C115 C116 1.529(5) . ?
C115 H11L 0.9900 . ?
C115 H11M 0.9900 . ?
C116 H11N 0.9800 . ?
C116 H11O 0.9800 . ?
C116 H11P 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ni1 C6 102.7(2) . . ?
C1 Ni1 C2 103.0(2) . . ?
C6 Ni1 C2 143.69(19) . . ?
C1 Ni1 Ni3 149.48(15) . . ?
C6 Ni1 Ni3 49.11(14) . . ?
C2 Ni1 Ni3 107.39(13) . . ?
C1 Ni1 Ni2 149.42(16) . . ?
C6 Ni1 Ni2 107.75(14) . . ?
C2 Ni1 Ni2 49.00(13) . . ?
Ni3 Ni1 Ni2 60.491(14) . . ?
C1 Ni1 Ni2 97.68(14) . 2_566 ?
C6 Ni1 Ni2 75.84(13) . 2_566 ?
C2 Ni1 Ni2 125.05(13) . 2_566 ?
Ni3 Ni1 Ni2 67.073(12) . 2_566 ?
Ni2 Ni1 Ni2 92.205(14) . 2_566 ?
C1 Ni1 Ni3 98.00(15) . 2_566 ?
C6 Ni1 Ni3 125.19(13) . 2_566 ?
C2 Ni1 Ni3 75.57(13) . 2_566 ?
Ni3 Ni1 Ni3 92.390(17) . 2_566 ?
Ni2 Ni1 Ni3 66.298(14) . 2_566 ?
Ni2 Ni1 Ni3 51.274(11) 2_566 2_566 ?
C1 Pt1 C6 102.7(2) . . ?
C1 Pt1 C2 103.0(2) . . ?
C6 Pt1 C2 143.69(19) . . ?
C1 Pt1 Pt3 149.48(15) . . ?
C6 Pt1 Pt3 49.11(14) . . ?
C2 Pt1 Pt3 107.39(13) . . ?
C1 Pt1 Pt2 149.42(16) . . ?
C6 Pt1 Pt2 107.75(14) . . ?
C2 Pt1 Pt2 49.00(13) . . ?
Pt3 Pt1 Pt2 60.491(14) . . ?
C1 Pt1 Pt2 97.68(14) . 2_566 ?
C6 Pt1 Pt2 75.84(13) . 2_566 ?
C2 Pt1 Pt2 125.05(13) . 2_566 ?
Pt3 Pt1 Pt2 67.073(12) . 2_566 ?
Pt2 Pt1 Pt2 92.205(14) . 2_566 ?
C1 Pt1 Pt3 98.00(15) . 2_566 ?
C6 Pt1 Pt3 125.19(13) . 2_566 ?
C2 Pt1 Pt3 75.57(13) . 2_566 ?
Pt3 Pt1 Pt3 92.390(17) . 2_566 ?
Pt2 Pt1 Pt3 66.298(14) . 2_566 ?
Pt2 Pt1 Pt3 51.274(11) 2_566 2_566 ?
C3 Ni2 C2 104.87(19) . . ?
C3 Ni2 C4 101.17(19) . . ?
C2 Ni2 C4 142.14(19) . . ?
C3 Ni2 Ni1 152.83(14) . . ?
C2 Ni2 Ni1 49.76(13) . . ?
C4 Ni2 Ni1 105.68(13) . . ?
C3 Ni2 Ni3 147.72(14) . . ?
C2 Ni2 Ni3 106.94(14) . . ?
C4 Ni2 Ni3 48.47(13) . . ?
Ni1 Ni2 Ni3 59.262(13) . . ?
C3 Ni2 Ni1 102.10(13) . 2_566 ?
C2 Ni2 Ni1 122.04(12) . 2_566 ?
C4 Ni2 Ni1 77.61(12) . 2_566 ?
Ni1 Ni2 Ni1 87.794(15) . 2_566 ?
Ni3 Ni2 Ni1 64.969(13) . 2_566 ?
C3 Pt2 C2 104.87(19) . . ?
C3 Pt2 C4 101.17(19) . . ?
C2 Pt2 C4 142.14(19) . . ?
C3 Pt2 Pt1 152.83(14) . . ?
C2 Pt2 Pt1 49.76(13) . . ?
C4 Pt2 Pt1 105.68(13) . . ?
C3 Pt2 Pt3 147.72(14) . . ?
C2 Pt2 Pt3 106.94(14) . . ?
C4 Pt2 Pt3 48.47(13) . . ?
Pt1 Pt2 Pt3 59.262(13) . . ?
C3 Pt2 Pt1 102.10(13) . 2_566 ?
C2 Pt2 Pt1 122.04(12) . 2_566 ?
C4 Pt2 Pt1 77.61(12) . 2_566 ?
Pt1 Pt2 Pt1 87.794(15) . 2_566 ?
Pt3 Pt2 Pt1 64.969(13) . 2_566 ?
C3 Pt2 Pt3 103.78(15) . 2_566 ?
C2 Pt2 Pt3 74.09(12) . 2_566 ?
C4 Pt2 Pt3 125.25(12) . 2_566 ?
Pt1 Pt2 Pt3 63.479(12) . 2_566 ?
Pt3 Pt2 Pt3 90.178(17) . 2_566 ?
Pt1 Pt2 Pt3 49.936(11) 2_566 2_566 ?
C5 Ni3 C6 100.1(2) . . ?
C5 Ni3 C4 101.7(2) . . ?
C6 Ni3 C4 144.51(19) . . ?
C5 Ni3 Ni1 149.06(17) . . ?
C6 Ni3 Ni1 50.01(14) . . ?
C4 Ni3 Ni1 108.30(13) . . ?
C5 Ni3 Ni2 150.69(17) . . ?
C6 Ni3 Ni2 108.38(14) . . ?
C4 Ni3 Ni2 50.21(13) . . ?
Ni1 Ni3 Ni2 60.246(14) . . ?
C5 Ni3 Ni1 106.57(16) . 2_566 ?
C6 Ni3 Ni1 121.98(13) . 2_566 ?
C4 Ni3 Ni1 77.53(13) . 2_566 ?
Ni1 Ni3 Ni1 87.610(16) . 2_566 ?
Ni2 Ni3 Ni1 63.757(15) . 2_566 ?
C5 Pt3 C6 100.1(2) . . ?
C5 Pt3 C4 101.7(2) . . ?
C6 Pt3 C4 144.51(19) . . ?
C5 Pt3 Pt1 149.06(17) . . ?
C6 Pt3 Pt1 50.01(14) . . ?
C4 Pt3 Pt1 108.30(13) . . ?
C5 Pt3 Pt2 150.69(17) . . ?
C6 Pt3 Pt2 108.38(14) . . ?
C4 Pt3 Pt2 50.21(13) . . ?
Pt1 Pt3 Pt2 60.246(14) . . ?
C5 Pt3 Pt1 106.57(16) . 2_566 ?
C6 Pt3 Pt1 121.98(13) . 2_566 ?
C4 Pt3 Pt1 77.53(13) . 2_566 ?
Pt1 Pt3 Pt1 87.610(16) . 2_566 ?
Pt2 Pt3 Pt1 63.757(15) . 2_566 ?
C5 Pt3 Pt2 104.94(16) . 2_566 ?
C6 Pt3 Pt2 73.64(13) . 2_566 ?
C4 Pt3 Pt2 126.04(14) . 2_566 ?
Pt1 Pt3 Pt2 62.989(12) . 2_566 ?
Pt2 Pt3 Pt2 89.822(17) . 2_566 ?
Pt1 Pt3 Pt2 50.222(12) 2_566 2_566 ?
O1 C1 Ni1 175.5(4) . . ?
O1 C1 Pt1 175.5(4) . . ?
O2 C2 Pt2 139.6(4) . . ?
O2 C2 Ni2 139.6(4) . . ?
O2 C2 Ni1 139.1(4) . . ?
Ni2 C2 Ni1 81.24(17) . . ?
O2 C2 Pt1 139.1(4) . . ?
Pt2 C2 Pt1 81.24(17) . . ?
O3 C3 Ni2 178.5(4) . . ?
O3 C3 Pt2 178.5(4) . . ?
O4 C4 Pt3 139.7(4) . . ?
O4 C4 Ni3 139.7(4) . . ?
O4 C4 Ni2 138.8(4) . . ?
Ni3 C4 Ni2 81.33(17) . . ?
O4 C4 Pt2 138.8(4) . . ?
Pt3 C4 Pt2 81.33(17) . . ?
O5 C5 Ni3 178.5(5) . . ?
O5 C5 Pt3 178.5(5) . . ?
O6 C6 Pt3 138.9(4) . . ?
O6 C6 Ni3 138.9(4) . . ?
O6 C6 Ni1 140.1(4) . . ?
Ni3 C6 Ni1 80.88(19) . . ?
O6 C6 Pt1 140.1(4) . . ?
Pt3 C6 Pt1 80.88(19) . . ?
C105 N1 C113 109.3(3) . . ?
C105 N1 C101 111.0(3) . . ?
C113 N1 C101 108.1(3) . . ?
C105 N1 C109 108.5(3) . . ?
C113 N1 C109 111.6(3) . . ?
C101 N1 C109 108.3(3) . . ?
C102 C101 N1 116.1(3) . . ?
C102 C101 H10A 108.3 . . ?
N1 C101 H10A 108.3 . . ?
C102 C101 H10B 108.3 . . ?
N1 C101 H10B 108.3 . . ?
H10A C101 H10B 107.4 . . ?
C103 C102 C101 108.9(3) . . ?
C103 C102 H10C 109.9 . . ?
C101 C102 H10C 109.9 . . ?
C103 C102 H10D 109.9 . . ?
C101 C102 H10D 109.9 . . ?
H10C C102 H10D 108.3 . . ?
C102 C103 C104 112.4(4) . . ?
C102 C103 H10E 109.1 . . ?
C104 C103 H10E 109.1 . . ?
C102 C103 H10F 109.1 . . ?
C104 C103 H10F 109.1 . . ?
H10E C103 H10F 107.9 . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
N1 C105 C106 115.3(3) . . ?
N1 C105 H10J 108.5 . . ?
C106 C105 H10J 108.5 . . ?
N1 C105 H10K 108.5 . . ?
C106 C105 H10K 108.5 . . ?
H10J C105 H10K 107.5 . . ?
C107 C106 C105 110.6(3) . . ?
C107 C106 H10L 109.5 . . ?
C105 C106 H10L 109.5 . . ?
C107 C106 H10M 109.5 . . ?
C105 C106 H10M 109.5 . . ?
H10L C106 H10M 108.1 . . ?
C106 C107 C108 112.5(4) . . ?
C106 C107 H10N 109.1 . . ?
C108 C107 H10N 109.1 . . ?
C106 C107 H10O 109.1 . . ?
C108 C107 H10O 109.1 . . ?
H10N C107 H10O 107.8 . . ?
C107 C108 H10P 109.5 . . ?
C107 C108 H10Q 109.5 . . ?
H10P C108 H10Q 109.5 . . ?
C107 C108 H10R 109.5 . . ?
H10P C108 H10R 109.5 . . ?
H10Q C108 H10R 109.5 . . ?
C110 C109 N1 115.4(3) . . ?
C110 C109 H10S 108.4 . . ?
N1 C109 H10S 108.4 . . ?
C110 C109 H10T 108.4 . . ?
N1 C109 H10T 108.4 . . ?
H10S C109 H10T 107.5 . . ?
C109 C110 C111 109.4(3) . . ?
C109 C110 H11A 109.8 . . ?
C111 C110 H11A 109.8 . . ?
C109 C110 H11B 109.8 . . ?
C111 C110 H11B 109.8 . . ?
H11A C110 H11B 108.2 . . ?
C112 C111 C110 112.2(3) . . ?
C112 C111 H11C 109.2 . . ?
C110 C111 H11C 109.2 . . ?
C112 C111 H11D 109.2 . . ?
C110 C111 H11D 109.2 . . ?
H11C C111 H11D 107.9 . . ?
C111 C112 H11E 109.5 . . ?
C111 C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
H11E C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
N1 C113 C114 115.5(3) . . ?
N1 C113 H11H 108.4 . . ?
C114 C113 H11H 108.4 . . ?
N1 C113 H11I 108.4 . . ?
C114 C113 H11I 108.4 . . ?
H11H C113 H11I 107.5 . . ?
C115 C114 C113 111.1(3) . . ?
C115 C114 H11J 109.4 . . ?
C113 C114 H11J 109.4 . . ?
C115 C114 H11K 109.4 . . ?
C113 C114 H11K 109.4 . . ?
H11J C114 H11K 108.0 . . ?
C114 C115 C116 114.2(4) . . ?
C114 C115 H11L 108.7 . . ?
C116 C115 H11L 108.7 . . ?
C114 C115 H11M 108.7 . . ?
C116 C115 H11M 108.7 . . ?
H11L C115 H11M 107.6 . . ?
C115 C116 H11N 109.5 . . ?
C115 C116 H11O 109.5 . . ?
H11N C116 H11O 109.5 . . ?
C115 C116 H11P 109.5 . . ?
H11N C116 H11P 109.5 . . ?
H11O C116 H11P 109.5 . . ?

_refine_diff_density_max         1.153
_refine_diff_density_min         -0.870
_refine_diff_density_rms         0.132



####################################################################### 
# 
# 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_Ni291Pt909
_database_code_depnum_ccdc_archive 'CCDC 2217068'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2023-01-29 deposited with the CCDC.	2023-02-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT972_Ni291Pt909          
;
PROBLEM: Check Calcd Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom, 
and they are due to strong absorption.
;
# end Validation Reply Form  
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C53 H80 N4 Ni3.72 O21 Pt8.28'
_chemical_formula_weight         2942.95

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.4147(14)
_cell_length_b                   13.4345(8)
_cell_length_c                   24.8815(15)
_cell_angle_alpha                90
_cell_angle_beta                 109.099(2)
_cell_angle_gamma                90
_cell_volume                     6764.3(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9859
_cell_measurement_theta_min      2.274
_cell_measurement_theta_max      30.7965

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.890
_exptl_crystal_F_000             5376
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    18.128
_shelx_estimated_absorpt_T_min   0.139
_shelx_estimated_absorpt_T_max   0.220
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.0315
_exptl_absorpt_correction_T_max  0.0857
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1743 (selected reflections only, before parameter refinement)
 R(int) = 0.0676 (selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            43980
_diffrn_reflns_av_unetI/netI     0.0330
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.732
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             6602
_reflns_number_gt                5906
_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       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_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)+297.0019P] 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         6602
_refine_ls_number_parameters     389
_refine_ls_number_restraints     244
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0498
_refine_ls_wR_factor_ref         0.0962
_refine_ls_wR_factor_gt          0.0941
_refine_ls_goodness_of_fit_ref   1.237
_refine_ls_restrained_S_all      1.230
_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
Pt1 Pt 0.5000 0.00047(5) 0.2500 0.02156(15) Uani 1 2 d S T P A .
Pt2 Pt 0.54788(2) 0.18287(3) 0.30466(2) 0.02313(13) Uani 1 1 d . . . . .
Pt3 Pt 0.59944(2) 0.23050(4) 0.20534(2) 0.0298(2) Uani 0.794(4) 1 d . . P A 1
Ni3 Ni 0.59944(2) 0.23050(4) 0.20534(2) 0.0298(2) Uani 0.206(4) 1 d . . P A 2
Pt4 Pt 0.54658(3) 0.06853(5) 0.14673(2) 0.0323(2) Uani 0.730(4) 1 d . . P A 1
Ni4 Ni 0.54658(3) 0.06853(5) 0.14673(2) 0.0323(2) Uani 0.270(4) 1 d . . P A 2
Pt5 Pt 0.63774(3) 0.05213(5) 0.24964(2) 0.0325(2) Uani 0.682(4) 1 d . . P A 1
Ni5 Ni 0.63774(3) 0.05213(5) 0.24964(2) 0.0325(2) Uani 0.318(4) 1 d . . P A 2
Pt6 Pt 0.5000 0.34767(10) 0.2500 0.0337(5) Uani 0.325(5) 2 d S T P A 1
Ni6 Ni 0.5000 0.34767(10) 0.2500 0.0337(5) Uani 0.675(5) 2 d S T P A 2
Pt7 Pt 0.59207(5) 0.00982(8) 0.34948(4) 0.0328(4) Uani 0.272(4) 1 d . . P A 1
Ni7 Ni 0.59207(5) 0.00982(8) 0.34948(4) 0.0328(4) Uani 0.728(4) 1 d . . P A 2
C1 C 0.6998(8) -0.0239(13) 0.3008(7) 0.053(4) Uani 1 1 d . . . . .
C2 C 0.6044(7) -0.0457(11) 0.1859(5) 0.041(3) Uani 1 1 d . U . . .
C3 C 0.5000(7) 0.0008(12) 0.0828(6) 0.046(3) Uani 1 1 d . U . . .
C4 C 0.5483(7) 0.2083(11) 0.1207(5) 0.042(3) Uani 1 1 d . U . . .
C5 C 0.6122(6) 0.3654(13) 0.1999(5) 0.046(4) Uani 1 1 d . . . . .
C6 C 0.6778(6) 0.1886(11) 0.2725(6) 0.044(4) Uani 1 1 d . . . . .
C7 C 0.6458(7) -0.0486(11) 0.4063(5) 0.041(3) Uani 1 1 d . . . . .
C8 C 0.6194(6) 0.1493(11) 0.3749(5) 0.040(3) Uani 1 1 d . . . . .
C9 C 0.5000 0.4759(19) 0.2500 0.049(5) Uani 1 2 d S T P . .
C10 C 0.5405(5) -0.1063(10) 0.3061(5) 0.030(3) Uani 1 1 d . . . . .
C11 C 0.5580(6) 0.3231(11) 0.3305(6) 0.038(3) Uani 1 1 d . . . . .
O1 O 0.7412(6) -0.0684(11) 0.3291(6) 0.084(4) Uani 1 1 d . . . . .
O2 O 0.6181(6) -0.1255(9) 0.1741(4) 0.066(3) Uani 1 1 d . . . . .
O3 O 0.4767(6) -0.0465(9) 0.0429(5) 0.069(3) Uani 1 1 d . U . . .
O4 O 0.5357(5) 0.2553(9) 0.0787(4) 0.060(3) Uani 1 1 d . . . . .
O5 O 0.6206(5) 0.4469(9) 0.1925(5) 0.063(3) Uani 1 1 d . . . . .
O6 O 0.7263(5) 0.2222(9) 0.3051(5) 0.073(4) Uani 1 1 d . . . . .
O7 O 0.6834(6) -0.0867(9) 0.4455(4) 0.062(3) Uani 1 1 d . . . . .
O8 O 0.6601(6) 0.1861(9) 0.4131(4) 0.073(4) Uani 1 1 d . U . . .
O9 O 0.5000 0.5604(14) 0.2500 0.087(6) Uani 1 2 d S T P A .
O10 O 0.5359(5) -0.1900(7) 0.3152(4) 0.046(2) Uani 1 1 d . . . . .
O11 O 0.5809(5) 0.3740(8) 0.3712(4) 0.048(2) Uani 1 1 d . . . . .
N1 N 0.2881(4) 0.6221(7) 0.1402(4) 0.036(2) Uiso 1 1 d D U . . .
C101 C 0.3337(8) 0.6873(12) 0.1227(6) 0.045(4) Uiso 0.775(13) 1 d D U P B 1
H10A H 0.3771 0.6866 0.1533 0.054 Uiso 0.775(13) 1 calc R U P B 1
H10B H 0.3165 0.7562 0.1196 0.054 Uiso 0.775(13) 1 calc R U P B 1
C102 C 0.3446(9) 0.6605(14) 0.0668(6) 0.049(5) Uiso 0.775(13) 1 d D U P B 1
H10C H 0.3754 0.7081 0.0593 0.073 Uiso 0.775(13) 1 calc R U P B 1
H10D H 0.3631 0.5932 0.0695 0.073 Uiso 0.775(13) 1 calc R U P B 1
H10E H 0.3023 0.6630 0.0358 0.073 Uiso 0.775(13) 1 calc R U P B 1
C103 C 0.3179(7) 0.5221(9) 0.1528(7) 0.041(4) Uiso 0.775(13) 1 d D U P B 1
H10F H 0.3621 0.5288 0.1819 0.049 Uiso 0.775(13) 1 calc R U P B 1
H10G H 0.3243 0.4955 0.1178 0.049 Uiso 0.775(13) 1 calc R U P B 1
C104 C 0.2783(10) 0.4466(14) 0.1739(9) 0.062(6) Uiso 0.775(13) 1 d D U P B 1
H10H H 0.3018 0.3829 0.1810 0.094 Uiso 0.775(13) 1 calc R U P B 1
H10I H 0.2727 0.4708 0.2091 0.094 Uiso 0.775(13) 1 calc R U P B 1
H10J H 0.2348 0.4375 0.1450 0.094 Uiso 0.775(13) 1 calc R U P B 1
C105 C 0.2216(7) 0.6144(12) 0.0947(7) 0.047(4) Uiso 0.775(13) 1 d D U P B 1
H10K H 0.1910 0.5793 0.1107 0.057 Uiso 0.775(13) 1 calc R U P B 1
H10L H 0.2261 0.5733 0.0632 0.057 Uiso 0.775(13) 1 calc R U P B 1
C106 C 0.1909(11) 0.7139(14) 0.0706(9) 0.063(6) Uiso 0.775(13) 1 d D U P B 1
H10M H 0.1479 0.7024 0.0415 0.095 Uiso 0.775(13) 1 calc R U P B 1
H10N H 0.1849 0.7546 0.1013 0.095 Uiso 0.775(13) 1 calc R U P B 1
H10O H 0.2201 0.7486 0.0537 0.095 Uiso 0.775(13) 1 calc R U P B 1
C107 C 0.2771(8) 0.6679(14) 0.1911(5) 0.050(5) Uiso 0.775(13) 1 d D U P B 1
H10P H 0.2440 0.6271 0.2011 0.060 Uiso 0.775(13) 1 calc R U P B 1
H10Q H 0.2576 0.7347 0.1802 0.060 Uiso 0.775(13) 1 calc R U P B 1
C108 C 0.3379(9) 0.6790(16) 0.2444(7) 0.050(5) Uiso 0.775(13) 1 d D U P B 1
H10R H 0.3248 0.7097 0.2748 0.074 Uiso 0.775(13) 1 calc R U P B 1
H10S H 0.3570 0.6133 0.2567 0.074 Uiso 0.775(13) 1 calc R U P B 1
H10T H 0.3707 0.7212 0.2357 0.074 Uiso 0.775(13) 1 calc R U P B 1
C111 C 0.3480(13) 0.572(2) 0.1356(18) 0.037(11) Uiso 0.225(13) 1 d D U P B 2
H11A H 0.3337 0.5111 0.1124 0.044 Uiso 0.225(13) 1 calc R U P B 2
H11B H 0.3754 0.5506 0.1741 0.044 Uiso 0.225(13) 1 calc R U P B 2
C112 C 0.392(3) 0.633(5) 0.110(3) 0.063(19) Uiso 0.225(13) 1 d D U P B 2
H11C H 0.4293 0.5922 0.1090 0.094 Uiso 0.225(13) 1 calc R U P B 2
H11D H 0.3658 0.6526 0.0710 0.094 Uiso 0.225(13) 1 calc R U P B 2
H11E H 0.4076 0.6922 0.1330 0.094 Uiso 0.225(13) 1 calc R U P B 2
C113 C 0.2565(19) 0.549(2) 0.1675(14) 0.034(11) Uiso 0.225(13) 1 d D U P B 2
H11F H 0.2186 0.5815 0.1745 0.041 Uiso 0.225(13) 1 calc R U P B 2
H11G H 0.2887 0.5312 0.2050 0.041 Uiso 0.225(13) 1 calc R U P B 2
C114 C 0.232(3) 0.453(3) 0.135(2) 0.044(14) Uiso 0.225(13) 1 d D U P B 2
H11H H 0.2122 0.4101 0.1571 0.066 Uiso 0.225(13) 1 calc R U P B 2
H11I H 0.1988 0.4681 0.0982 0.066 Uiso 0.225(13) 1 calc R U P B 2
H11J H 0.2692 0.4175 0.1288 0.066 Uiso 0.225(13) 1 calc R U P B 2
C115 C 0.2441(14) 0.647(3) 0.0819(8) 0.036(11) Uiso 0.225(13) 1 d D U P B 2
H11K H 0.2432 0.5903 0.0566 0.043 Uiso 0.225(13) 1 calc R U P B 2
H11L H 0.2635 0.7046 0.0679 0.043 Uiso 0.225(13) 1 calc R U P B 2
C116 C 0.1732(15) 0.674(5) 0.077(2) 0.035(13) Uiso 0.225(13) 1 d D U P B 2
H11M H 0.1483 0.6890 0.0371 0.053 Uiso 0.225(13) 1 calc R U P B 2
H11N H 0.1528 0.6168 0.0894 0.053 Uiso 0.225(13) 1 calc R U P B 2
H11O H 0.1731 0.7315 0.1007 0.053 Uiso 0.225(13) 1 calc R U P B 2
C117 C 0.309(2) 0.7131(17) 0.1750(13) 0.048(13) Uiso 0.225(13) 1 d D U P B 2
H11P H 0.2683 0.7462 0.1768 0.057 Uiso 0.225(13) 1 calc R U P B 2
H11Q H 0.3291 0.7584 0.1540 0.057 Uiso 0.225(13) 1 calc R U P B 2
C118 C 0.357(2) 0.705(4) 0.2360(14) 0.029(12) Uiso 0.225(13) 1 d D U P B 2
H11R H 0.3652 0.7720 0.2529 0.043 Uiso 0.225(13) 1 calc R U P B 2
H11S H 0.3372 0.6635 0.2585 0.043 Uiso 0.225(13) 1 calc R U P B 2
H11T H 0.3984 0.6758 0.2356 0.043 Uiso 0.225(13) 1 calc R U P B 2
N2 N 0.1235(5) 0.1492(7) 0.0481(4) 0.046(3) Uiso 1 1 d D U . . .
C201 C 0.1189(8) 0.1632(16) 0.1046(6) 0.046(5) Uiso 0.673(13) 1 d D U P C 1
H20A H 0.1460 0.2215 0.1225 0.056 Uiso 0.673(13) 1 calc R U P C 1
H20B H 0.1379 0.1041 0.1280 0.056 Uiso 0.673(13) 1 calc R U P C 1
C202 C 0.0482(10) 0.179(2) 0.1056(12) 0.066(9) Uiso 0.673(13) 1 d D U P C 1
H20C H 0.0492 0.1879 0.1450 0.100 Uiso 0.673(13) 1 calc R U P C 1
H20D H 0.0293 0.2385 0.0834 0.100 Uiso 0.673(13) 1 calc R U P C 1
H20E H 0.0211 0.1209 0.0890 0.100 Uiso 0.673(13) 1 calc R U P C 1
C203 C 0.0992(10) 0.2415(11) 0.0128(8) 0.056(6) Uiso 0.673(13) 1 d D U P C 1
H20F H 0.0503 0.2421 0.0009 0.067 Uiso 0.673(13) 1 calc R U P C 1
H20G H 0.1116 0.2364 -0.0220 0.067 Uiso 0.673(13) 1 calc R U P C 1
C204 C 0.124(2) 0.3401(15) 0.0412(16) 0.086(15) Uiso 0.673(13) 1 d D U P C 1
H20H H 0.1056 0.3946 0.0146 0.128 Uiso 0.673(13) 1 calc R U P C 1
H20I H 0.1112 0.3477 0.0752 0.128 Uiso 0.673(13) 1 calc R U P C 1
H20J H 0.1727 0.3419 0.0522 0.128 Uiso 0.673(13) 1 calc R U P C 1
C205 C 0.0852(10) 0.0668(11) 0.0130(8) 0.060(6) Uiso 0.673(13) 1 d D U P C 1
H20K H 0.0925 0.0675 -0.0243 0.072 Uiso 0.673(13) 1 calc R U P C 1
H20L H 0.0376 0.0792 0.0060 0.072 Uiso 0.673(13) 1 calc R U P C 1
C206 C 0.1022(11) -0.0357(12) 0.0390(10) 0.052(6) Uiso 0.673(13) 1 d D U P C 1
H20M H 0.0748 -0.0856 0.0132 0.078 Uiso 0.673(13) 1 calc R U P C 1
H20N H 0.1490 -0.0497 0.0451 0.078 Uiso 0.673(13) 1 calc R U P C 1
H20O H 0.0940 -0.0380 0.0755 0.078 Uiso 0.673(13) 1 calc R U P C 1
C207 C 0.1951(7) 0.1367(15) 0.0531(7) 0.043(5) Uiso 0.673(13) 1 d D U P C 1
H20P H 0.2130 0.0806 0.0793 0.052 Uiso 0.673(13) 1 calc R U P C 1
H20Q H 0.2189 0.1974 0.0713 0.052 Uiso 0.673(13) 1 calc R U P C 1
C208 C 0.2121(10) 0.1180(16) -0.0011(8) 0.036(5) Uiso 0.673(13) 1 d D U P C 1
H20R H 0.2601 0.1114 0.0085 0.055 Uiso 0.673(13) 1 calc R U P C 1
H20S H 0.1906 0.0566 -0.0193 0.055 Uiso 0.673(13) 1 calc R U P C 1
H20T H 0.1965 0.1740 -0.0273 0.055 Uiso 0.673(13) 1 calc R U P C 1
C211 C 0.0535(9) 0.148(3) 0.0479(12) 0.053(10) Uiso 0.327(13) 1 d D U P C 2
H21A H 0.0318 0.0882 0.0263 0.064 Uiso 0.327(13) 1 calc R U P C 2
H21B H 0.0309 0.2067 0.0265 0.064 Uiso 0.327(13) 1 calc R U P C 2
C212 C 0.041(2) 0.147(4) 0.1050(15) 0.040(11) Uiso 0.327(13) 1 d D U P C 2
H21C H -0.0065 0.1457 0.0984 0.060 Uiso 0.327(13) 1 calc R U P C 2
H21D H 0.0615 0.0872 0.1265 0.060 Uiso 0.327(13) 1 calc R U P C 2
H21E H 0.0606 0.2064 0.1267 0.060 Uiso 0.327(13) 1 calc R U P C 2
C213 C 0.1524(16) 0.2439(14) 0.0748(12) 0.038(9) Uiso 0.327(13) 1 d D U P C 2
H21F H 0.2010 0.2358 0.0895 0.046 Uiso 0.327(13) 1 calc R U P C 2
H21G H 0.1375 0.2554 0.1080 0.046 Uiso 0.327(13) 1 calc R U P C 2
C214 C 0.137(3) 0.337(2) 0.038(2) 0.051(17) Uiso 0.327(13) 1 d D U P C 2
H21H H 0.1590 0.3949 0.0605 0.076 Uiso 0.327(13) 1 calc R U P C 2
H21I H 0.1530 0.3289 0.0055 0.076 Uiso 0.327(13) 1 calc R U P C 2
H21J H 0.0892 0.3486 0.0240 0.076 Uiso 0.327(13) 1 calc R U P C 2
C215 C 0.1584(15) 0.0682(15) 0.0887(11) 0.045(10) Uiso 0.327(13) 1 d D U P C 2
H21K H 0.1553 0.0840 0.1266 0.054 Uiso 0.327(13) 1 calc R U P C 2
H21L H 0.2058 0.0702 0.0922 0.054 Uiso 0.327(13) 1 calc R U P C 2
C216 C 0.1338(19) -0.0379(17) 0.0737(17) 0.039(9) Uiso 0.327(13) 1 d D U P C 2
H21M H 0.1603 -0.0835 0.1031 0.059 Uiso 0.327(13) 1 calc R U P C 2
H21N H 0.0874 -0.0422 0.0714 0.059 Uiso 0.327(13) 1 calc R U P C 2
H21O H 0.1380 -0.0561 0.0369 0.059 Uiso 0.327(13) 1 calc R U P C 2
C217 C 0.1230(13) 0.128(3) -0.0096(8) 0.040(9) Uiso 0.327(13) 1 d D U P C 2
H21P H 0.1001 0.1829 -0.0346 0.048 Uiso 0.327(13) 1 calc R U P C 2
H21Q H 0.0965 0.0666 -0.0229 0.048 Uiso 0.327(13) 1 calc R U P C 2
C218 C 0.1906(17) 0.113(4) -0.0171(18) 0.048(12) Uiso 0.327(13) 1 d D U P C 2
H21R H 0.1845 0.0989 -0.0571 0.073 Uiso 0.327(13) 1 calc R U P C 2
H21S H 0.2170 0.1735 -0.0053 0.073 Uiso 0.327(13) 1 calc R U P C 2
H21T H 0.2134 0.0568 0.0064 0.073 Uiso 0.327(13) 1 calc R U P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C10 1.992(12) 2_655 ?
Pt1 C10 1.992(12) . ?
Pt1 Ni7 2.6145(9) . ?
Pt1 Pt7 2.6145(9) . ?
Pt1 Ni7 2.6146(9) 2_655 ?
Pt1 Pt7 2.6146(9) 2_655 ?
Pt1 Pt2 2.8271(7) 2_655 ?
Pt1 Pt2 2.8271(7) . ?
Pt1 Ni5 3.0329(6) 2_655 ?
Pt1 Pt5 3.0329(6) 2_655 ?
Pt1 Ni5 3.0330(6) . ?
Pt1 Pt5 3.0330(6) . ?
Pt2 C8 1.963(12) . ?
Pt2 C11 1.980(14) . ?
Pt2 Ni7 2.6179(11) . ?
Pt2 Pt7 2.6179(11) . ?
Pt2 Ni6 2.6249(13) . ?
Pt2 Pt6 2.6249(13) . ?
Pt2 Pt2 2.8202(8) 2_655 ?
Pt2 Ni4 3.0848(7) 2_655 ?
Pt2 Pt4 3.0848(7) 2_655 ?
Pt2 Ni3 3.0856(7) . ?
Pt2 Pt3 3.0856(7) . ?
Pt3 C5 1.844(18) . ?
Pt3 C6 2.023(12) . ?
Pt3 C4 2.052(13) . ?
Pt3 Pt5 2.6530(8) . ?
Pt3 Pt4 2.6576(9) . ?
Pt3 Pt6 3.1297(9) . ?
Pt3 Pt2 3.1480(7) 2_655 ?
Ni3 C5 1.844(18) . ?
Ni3 C6 2.023(12) . ?
Ni3 C4 2.052(13) . ?
Ni3 Ni5 2.6530(8) . ?
Ni3 Ni4 2.6576(9) . ?
Pt4 C3 1.820(16) . ?
Pt4 C4 1.990(15) . ?
Pt4 C2 2.012(14) . ?
Pt4 Pt5 2.6729(8) . ?
Pt4 Pt2 3.0848(7) 2_655 ?
Pt4 Pt7 3.1032(12) 2_655 ?
Ni4 C3 1.820(16) . ?
Ni4 C4 1.990(15) . ?
Ni4 C2 2.012(14) . ?
Ni4 Ni5 2.6729(8) . ?
Ni4 Pt2 3.0848(7) 2_655 ?
Pt5 C1 1.824(16) . ?
Pt5 C2 2.002(15) . ?
Pt5 C6 2.026(16) . ?
Pt5 Pt7 3.0067(11) . ?
Ni5 C1 1.824(16) . ?
Ni5 C2 2.002(15) . ?
Ni5 C6 2.026(16) . ?
Pt6 C9 1.72(2) . ?
Pt6 C11 2.009(13) 2_655 ?
Pt6 C11 2.009(13) . ?
Pt6 Pt2 2.6249(13) 2_655 ?
Pt6 Pt3 3.1297(9) 2_655 ?
Ni6 C9 1.72(2) . ?
Ni6 C11 2.009(13) 2_655 ?
Ni6 C11 2.009(13) . ?
Ni6 Pt2 2.6249(13) 2_655 ?
Pt7 C7 1.696(14) . ?
Pt7 C8 2.002(14) . ?
Pt7 C10 2.010(13) . ?
Pt7 Pt4 3.1033(12) 2_655 ?
Ni7 C7 1.696(14) . ?
Ni7 C8 2.002(14) . ?
Ni7 C10 2.010(13) . ?
C1 O1 1.109(18) . ?
C2 O2 1.175(17) . ?
C3 O3 1.147(18) . ?
C4 O4 1.174(16) . ?
C5 O5 1.136(18) . ?
C6 O6 1.177(17) . ?
C7 O7 1.161(16) . ?
C8 O8 1.169(15) . ?
C9 O9 1.14(3) . ?
C10 O10 1.158(15) . ?
C11 O11 1.187(15) . ?
N1 C103 1.477(11) . ?
N1 C101 1.477(11) . ?
N1 C117 1.480(13) . ?
N1 C113 1.480(13) . ?
N1 C111 1.485(13) . ?
N1 C115 1.487(13) . ?
N1 C107 1.494(11) . ?
N1 C105 1.505(11) . ?
C101 C102 1.527(12) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 C104 1.521(12) . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C105 C106 1.523(13) . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 C108 1.531(12) . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C108 H10R 0.9800 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
C111 C112 1.529(14) . ?
C111 H11A 0.9900 . ?
C111 H11B 0.9900 . ?
C112 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C113 C114 1.524(14) . ?
C113 H11F 0.9900 . ?
C113 H11G 0.9900 . ?
C114 H11H 0.9800 . ?
C114 H11I 0.9800 . ?
C114 H11J 0.9800 . ?
C115 C116 1.521(14) . ?
C115 H11K 0.9900 . ?
C115 H11L 0.9900 . ?
C116 H11M 0.9800 . ?
C116 H11N 0.9800 . ?
C116 H11O 0.9800 . ?
C117 C118 1.531(14) . ?
C117 H11P 0.9900 . ?
C117 H11Q 0.9900 . ?
C118 H11R 0.9800 . ?
C118 H11S 0.9800 . ?
C118 H11T 0.9800 . ?
N2 C201 1.455(11) . ?
N2 C217 1.460(12) . ?
N2 C213 1.475(13) . ?
N2 C205 1.480(12) . ?
N2 C211 1.496(13) . ?
N2 C207 1.507(11) . ?
N2 C215 1.507(13) . ?
N2 C203 1.509(12) . ?
C201 C202 1.535(13) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C203 C204 1.516(13) . ?
C203 H20F 0.9900 . ?
C203 H20G 0.9900 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C204 H20J 0.9800 . ?
C205 C206 1.514(13) . ?
C205 H20K 0.9900 . ?
C205 H20L 0.9900 . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 H20O 0.9800 . ?
C207 C208 1.528(12) . ?
C207 H20P 0.9900 . ?
C207 H20Q 0.9900 . ?
C208 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
C211 C212 1.528(14) . ?
C211 H21A 0.9900 . ?
C211 H21B 0.9900 . ?
C212 H21C 0.9800 . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C213 C214 1.528(14) . ?
C213 H21F 0.9900 . ?
C213 H21G 0.9900 . ?
C214 H21H 0.9800 . ?
C214 H21I 0.9800 . ?
C214 H21J 0.9800 . ?
C215 C216 1.522(14) . ?
C215 H21K 0.9900 . ?
C215 H21L 0.9900 . ?
C216 H21M 0.9800 . ?
C216 H21N 0.9800 . ?
C216 H21O 0.9800 . ?
C217 C218 1.531(13) . ?
C217 H21P 0.9900 . ?
C217 H21Q 0.9900 . ?
C218 H21R 0.9800 . ?
C218 H21S 0.9800 . ?
C218 H21T 0.9800 . ?

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
C10 Pt1 C10 87.8(7) 2_655 . ?
C10 Pt1 Ni7 135.9(4) 2_655 . ?
C10 Pt1 Ni7 49.5(4) . . ?
C10 Pt1 Pt7 135.9(4) 2_655 . ?
C10 Pt1 Pt7 49.5(4) . . ?
C10 Pt1 Ni7 49.5(4) 2_655 2_655 ?
C10 Pt1 Ni7 135.9(4) . 2_655 ?
Ni7 Pt1 Ni7 174.50(5) . 2_655 ?
C10 Pt1 Pt7 49.5(4) 2_655 2_655 ?
C10 Pt1 Pt7 135.9(4) . 2_655 ?
Pt7 Pt1 Pt7 174.50(5) . 2_655 ?
C10 Pt1 Pt2 106.3(4) 2_655 2_655 ?
C10 Pt1 Pt2 165.4(4) . 2_655 ?
Ni7 Pt1 Pt2 117.14(3) . 2_655 ?
Pt7 Pt1 Pt2 117.14(3) . 2_655 ?
Ni7 Pt1 Pt2 57.35(3) 2_655 2_655 ?
Pt7 Pt1 Pt2 57.35(3) 2_655 2_655 ?
C10 Pt1 Pt2 165.4(4) 2_655 . ?
C10 Pt1 Pt2 106.3(4) . . ?
Ni7 Pt1 Pt2 57.35(3) . . ?
Pt7 Pt1 Pt2 57.35(3) . . ?
Ni7 Pt1 Pt2 117.15(3) 2_655 . ?
Pt7 Pt1 Pt2 117.15(3) 2_655 . ?
Pt2 Pt1 Pt2 59.84(2) 2_655 . ?
C10 Pt1 Ni5 88.0(3) 2_655 2_655 ?
C10 Pt1 Ni5 111.3(3) . 2_655 ?
Ni7 Pt1 Ni5 114.78(3) . 2_655 ?
Ni7 Pt1 Ni5 63.83(2) 2_655 2_655 ?
Pt2 Pt1 Ni5 66.617(18) 2_655 2_655 ?
Pt2 Pt1 Ni5 90.02(2) . 2_655 ?
C10 Pt1 Pt5 88.0(3) 2_655 2_655 ?
C10 Pt1 Pt5 111.3(3) . 2_655 ?
Pt7 Pt1 Pt5 114.78(3) . 2_655 ?
Pt7 Pt1 Pt5 63.83(2) 2_655 2_655 ?
Pt2 Pt1 Pt5 66.617(18) 2_655 2_655 ?
Pt2 Pt1 Pt5 90.02(2) . 2_655 ?
C10 Pt1 Ni5 111.4(3) 2_655 . ?
C10 Pt1 Ni5 88.0(3) . . ?
Ni7 Pt1 Ni5 63.83(2) . . ?
Ni7 Pt1 Ni5 114.77(3) 2_655 . ?
Pt2 Pt1 Ni5 90.02(2) 2_655 . ?
Pt2 Pt1 Ni5 66.617(18) . . ?
Ni5 Pt1 Ni5 153.55(4) 2_655 . ?
C10 Pt1 Pt5 111.4(3) 2_655 . ?
C10 Pt1 Pt5 88.0(3) . . ?
Pt7 Pt1 Pt5 63.83(2) . . ?
Pt7 Pt1 Pt5 114.77(3) 2_655 . ?
Pt2 Pt1 Pt5 90.02(2) 2_655 . ?
Pt2 Pt1 Pt5 66.617(18) . . ?
Pt5 Pt1 Pt5 153.55(4) 2_655 . ?
C8 Pt2 C11 87.7(6) . . ?
C8 Pt2 Ni7 49.3(4) . . ?
C11 Pt2 Ni7 136.1(4) . . ?
C8 Pt2 Pt7 49.3(4) . . ?
C11 Pt2 Pt7 136.1(4) . . ?
C8 Pt2 Ni6 135.6(4) . . ?
C11 Pt2 Ni6 49.3(4) . . ?
Ni7 Pt2 Ni6 174.39(3) . . ?
C8 Pt2 Pt6 135.6(4) . . ?
C11 Pt2 Pt6 49.3(4) . . ?
Pt7 Pt2 Pt6 174.39(3) . . ?
C8 Pt2 Pt2 165.5(4) . 2_655 ?
C11 Pt2 Pt2 106.3(4) . 2_655 ?
Ni7 Pt2 Pt2 117.27(2) . 2_655 ?
Pt7 Pt2 Pt2 117.27(2) . 2_655 ?
Ni6 Pt2 Pt2 57.506(19) . 2_655 ?
Pt6 Pt2 Pt2 57.506(19) . 2_655 ?
C8 Pt2 Pt1 106.5(4) . . ?
C11 Pt2 Pt1 164.8(4) . . ?
Ni7 Pt2 Pt1 57.24(2) . . ?
Pt7 Pt2 Pt1 57.24(2) . . ?
Ni6 Pt2 Pt1 117.59(2) . . ?
Pt6 Pt2 Pt1 117.59(2) . . ?
Pt2 Pt2 Pt1 60.081(11) 2_655 . ?
C8 Pt2 Ni4 87.5(3) . 2_655 ?
C11 Pt2 Ni4 111.3(4) . 2_655 ?
Ni7 Pt2 Ni4 65.34(3) . 2_655 ?
Ni6 Pt2 Ni4 115.34(2) . 2_655 ?
Pt2 Pt2 Ni4 90.857(19) 2_655 2_655 ?
Pt1 Pt2 Ni4 64.905(14) . 2_655 ?
C8 Pt2 Pt4 87.5(3) . 2_655 ?
C11 Pt2 Pt4 111.3(4) . 2_655 ?
Pt7 Pt2 Pt4 65.34(3) . 2_655 ?
Pt6 Pt2 Pt4 115.34(2) . 2_655 ?
Pt2 Pt2 Pt4 90.857(19) 2_655 2_655 ?
Pt1 Pt2 Pt4 64.905(14) . 2_655 ?
C8 Pt2 Ni3 112.4(4) . . ?
C11 Pt2 Ni3 91.9(4) . . ?
Ni7 Pt2 Ni3 110.56(3) . . ?
Ni6 Pt2 Ni3 65.895(15) . . ?
Pt2 Pt2 Ni3 64.239(18) 2_655 . ?
Pt1 Pt2 Ni3 87.877(17) . . ?
Ni4 Pt2 Ni3 150.42(2) 2_655 . ?
C8 Pt2 Pt3 112.4(4) . . ?
C11 Pt2 Pt3 91.9(4) . . ?
Pt7 Pt2 Pt3 110.56(3) . . ?
Pt6 Pt2 Pt3 65.895(15) . . ?
Pt2 Pt2 Pt3 64.239(18) 2_655 . ?
Pt1 Pt2 Pt3 87.877(17) . . ?
Pt4 Pt2 Pt3 150.42(2) 2_655 . ?
C5 Pt3 C6 103.3(6) . . ?
C5 Pt3 C4 96.3(6) . . ?
C6 Pt3 C4 145.8(6) . . ?
C5 Pt3 Pt5 152.2(4) . . ?
C6 Pt3 Pt5 49.1(4) . . ?
C4 Pt3 Pt5 106.5(4) . . ?
C5 Pt3 Pt4 144.2(4) . . ?
C6 Pt3 Pt4 108.4(5) . . ?
C4 Pt3 Pt4 47.9(4) . . ?
Pt5 Pt3 Pt4 60.44(2) . . ?
C5 Pt3 Pt2 111.3(4) . . ?
C6 Pt3 Pt2 72.4(4) . . ?
C4 Pt3 Pt2 125.5(4) . . ?
Pt5 Pt3 Pt2 67.848(19) . . ?
Pt4 Pt3 Pt2 94.01(2) . . ?
C5 Pt3 Pt6 70.5(4) . . ?
C6 Pt3 Pt6 108.9(4) . . ?
C4 Pt3 Pt6 103.9(4) . . ?
Pt5 Pt3 Pt6 117.42(3) . . ?
Pt4 Pt3 Pt6 112.93(3) . . ?
Pt2 Pt3 Pt6 49.96(2) . . ?
C5 Pt3 Pt2 111.3(4) . 2_655 ?
C6 Pt3 Pt2 123.2(3) . 2_655 ?
C4 Pt3 Pt2 72.8(4) . 2_655 ?
Pt5 Pt3 Pt2 90.85(2) . 2_655 ?
Pt4 Pt3 Pt2 63.535(19) . 2_655 ?
Pt2 Pt3 Pt2 53.787(15) . 2_655 ?
Pt6 Pt3 Pt2 49.43(2) . 2_655 ?
C5 Ni3 C6 103.3(6) . . ?
C5 Ni3 C4 96.3(6) . . ?
C6 Ni3 C4 145.8(6) . . ?
C5 Ni3 Ni5 152.2(4) . . ?
C6 Ni3 Ni5 49.1(4) . . ?
C4 Ni3 Ni5 106.5(4) . . ?
C5 Ni3 Ni4 144.2(4) . . ?
C6 Ni3 Ni4 108.4(5) . . ?
C4 Ni3 Ni4 47.9(4) . . ?
Ni5 Ni3 Ni4 60.44(2) . . ?
C5 Ni3 Pt2 111.3(4) . . ?
C6 Ni3 Pt2 72.4(4) . . ?
C4 Ni3 Pt2 125.5(4) . . ?
Ni5 Ni3 Pt2 67.848(19) . . ?
Ni4 Ni3 Pt2 94.01(2) . . ?
C3 Pt4 C4 104.5(6) . . ?
C3 Pt4 C2 96.7(6) . . ?
C4 Pt4 C2 143.4(6) . . ?
C3 Pt4 Pt3 154.4(5) . . ?
C4 Pt4 Pt3 49.9(4) . . ?
C2 Pt4 Pt3 105.9(4) . . ?
C3 Pt4 Pt5 144.6(5) . . ?
C4 Pt4 Pt5 107.7(4) . . ?
C2 Pt4 Pt5 48.1(4) . . ?
Pt3 Pt4 Pt5 59.70(2) . . ?
C3 Pt4 Pt2 110.5(4) . 2_655 ?
C4 Pt4 Pt2 75.0(4) . 2_655 ?
C2 Pt4 Pt2 124.6(4) . 2_655 ?
Pt3 Pt4 Pt2 66.002(19) . 2_655 ?
Pt5 Pt4 Pt2 91.86(2) . 2_655 ?
C3 Pt4 Pt7 69.1(4) . 2_655 ?
C4 Pt4 Pt7 111.7(4) . 2_655 ?
C2 Pt4 Pt7 103.6(4) . 2_655 ?
Pt3 Pt4 Pt7 115.55(3) . 2_655 ?
Pt5 Pt4 Pt7 110.86(3) . 2_655 ?
Pt2 Pt4 Pt7 50.06(2) 2_655 2_655 ?
C3 Pt4 Pt1 109.6(4) . . ?
C4 Pt4 Pt1 125.3(4) . . ?
C2 Pt4 Pt1 72.3(3) . . ?
Pt3 Pt4 Pt1 88.96(2) . . ?
Pt5 Pt4 Pt1 61.710(17) . . ?
Pt2 Pt4 Pt1 53.627(16) 2_655 . ?
Pt7 Pt4 Pt1 49.164(19) 2_655 . ?
C3 Ni4 C4 104.5(6) . . ?
C3 Ni4 C2 96.7(6) . . ?
C4 Ni4 C2 143.4(6) . . ?
C3 Ni4 Ni3 154.4(5) . . ?
C4 Ni4 Ni3 49.9(4) . . ?
C2 Ni4 Ni3 105.9(4) . . ?
C3 Ni4 Ni5 144.6(5) . . ?
C4 Ni4 Ni5 107.7(4) . . ?
C2 Ni4 Ni5 48.1(4) . . ?
Ni3 Ni4 Ni5 59.70(2) . . ?
C3 Ni4 Pt2 110.5(4) . 2_655 ?
C4 Ni4 Pt2 75.0(4) . 2_655 ?
C2 Ni4 Pt2 124.6(4) . 2_655 ?
Ni3 Ni4 Pt2 66.002(19) . 2_655 ?
Ni5 Ni4 Pt2 91.86(2) . 2_655 ?
C1 Pt5 C2 100.1(7) . . ?
C1 Pt5 C6 99.5(6) . . ?
C2 Pt5 C6 145.6(5) . . ?
C1 Pt5 Pt3 148.4(5) . . ?
C2 Pt5 Pt3 106.4(4) . . ?
C6 Pt5 Pt3 49.0(3) . . ?
C1 Pt5 Pt4 148.4(6) . . ?
C2 Pt5 Pt4 48.4(4) . . ?
C6 Pt5 Pt4 107.7(3) . . ?
Pt3 Pt5 Pt4 59.86(2) . . ?
C1 Pt5 Pt7 71.2(4) . . ?
C2 Pt5 Pt7 113.7(4) . . ?
C6 Pt5 Pt7 99.3(4) . . ?
Pt3 Pt5 Pt7 111.97(3) . . ?
Pt4 Pt5 Pt7 118.30(3) . . ?
C1 Pt5 Pt1 111.0(4) . . ?
C2 Pt5 Pt1 75.9(4) . . ?
C6 Pt5 Pt1 122.0(4) . . ?
Pt3 Pt5 Pt1 92.24(2) . . ?
Pt4 Pt5 Pt1 67.392(19) . . ?
Pt7 Pt5 Pt1 51.30(2) . . ?
C1 Pt5 Pt2 114.2(5) . . ?
C2 Pt5 Pt2 125.9(4) . . ?
C6 Pt5 Pt2 69.2(4) . . ?
Pt3 Pt5 Pt2 62.471(19) . . ?
Pt4 Pt5 Pt2 90.66(2) . . ?
Pt7 Pt5 Pt2 49.55(2) . . ?
Pt1 Pt5 Pt2 53.631(16) . . ?
C1 Ni5 C2 100.1(7) . . ?
C1 Ni5 C6 99.5(6) . . ?
C2 Ni5 C6 145.6(5) . . ?
C1 Ni5 Ni3 148.4(5) . . ?
C2 Ni5 Ni3 106.4(4) . . ?
C6 Ni5 Ni3 49.0(3) . . ?
C1 Ni5 Ni4 148.4(6) . . ?
C2 Ni5 Ni4 48.4(4) . . ?
C6 Ni5 Ni4 107.7(3) . . ?
Ni3 Ni5 Ni4 59.86(2) . . ?
C1 Ni5 Pt1 111.0(4) . . ?
C2 Ni5 Pt1 75.9(4) . . ?
C6 Ni5 Pt1 122.0(4) . . ?
Ni3 Ni5 Pt1 92.24(2) . . ?
Ni4 Ni5 Pt1 67.392(19) . . ?
C9 Pt6 C11 99.5(4) . 2_655 ?
C9 Pt6 C11 99.5(4) . . ?
C11 Pt6 C11 161.1(8) 2_655 . ?
C9 Pt6 Pt2 147.507(19) . 2_655 ?
C11 Pt6 Pt2 48.4(4) 2_655 2_655 ?
C11 Pt6 Pt2 112.8(4) . 2_655 ?
C9 Pt6 Pt2 147.506(19) . . ?
C11 Pt6 Pt2 112.8(4) 2_655 . ?
C11 Pt6 Pt2 48.4(4) . . ?
Pt2 Pt6 Pt2 64.99(4) 2_655 . ?
C9 Pt6 Pt3 120.20(2) . . ?
C11 Pt6 Pt3 80.5(4) 2_655 . ?
C11 Pt6 Pt3 90.0(4) . . ?
Pt2 Pt6 Pt3 65.65(3) 2_655 . ?
Pt2 Pt6 Pt3 64.15(3) . . ?
C9 Pt6 Pt3 120.19(2) . 2_655 ?
C11 Pt6 Pt3 90.0(4) 2_655 2_655 ?
C11 Pt6 Pt3 80.5(4) . 2_655 ?
Pt2 Pt6 Pt3 64.15(3) 2_655 2_655 ?
Pt2 Pt6 Pt3 65.65(3) . 2_655 ?
Pt3 Pt6 Pt3 119.61(5) . 2_655 ?
C9 Ni6 C11 99.5(4) . 2_655 ?
C9 Ni6 C11 99.5(4) . . ?
C11 Ni6 C11 161.1(8) 2_655 . ?
C9 Ni6 Pt2 147.507(19) . 2_655 ?
C11 Ni6 Pt2 48.4(4) 2_655 2_655 ?
C11 Ni6 Pt2 112.8(4) . 2_655 ?
C9 Ni6 Pt2 147.506(19) . . ?
C11 Ni6 Pt2 112.8(4) 2_655 . ?
C11 Ni6 Pt2 48.4(4) . . ?
Pt2 Ni6 Pt2 64.99(4) 2_655 . ?
C7 Pt7 C8 97.0(6) . . ?
C7 Pt7 C10 101.1(6) . . ?
C8 Pt7 C10 161.5(5) . . ?
C7 Pt7 Pt1 149.6(5) . . ?
C8 Pt7 Pt1 113.3(3) . . ?
C10 Pt7 Pt1 48.9(3) . . ?
C7 Pt7 Pt2 144.9(5) . . ?
C8 Pt7 Pt2 48.0(3) . . ?
C10 Pt7 Pt2 113.7(3) . . ?
Pt1 Pt7 Pt2 65.41(3) . . ?
C7 Pt7 Pt5 117.5(5) . . ?
C8 Pt7 Pt5 86.8(4) . . ?
C10 Pt7 Pt5 88.4(3) . . ?
Pt1 Pt7 Pt5 64.87(2) . . ?
Pt2 Pt7 Pt5 69.52(3) . . ?
C7 Pt7 Pt4 119.2(5) . 2_655 ?
C8 Pt7 Pt4 86.3(4) . 2_655 ?
C10 Pt7 Pt4 81.4(3) . 2_655 ?
Pt1 Pt7 Pt4 66.94(2) . 2_655 ?
Pt2 Pt7 Pt4 64.61(3) . 2_655 ?
Pt5 Pt7 Pt4 123.38(3) . 2_655 ?
C7 Ni7 C8 97.0(6) . . ?
C7 Ni7 C10 101.1(6) . . ?
C8 Ni7 C10 161.5(5) . . ?
C7 Ni7 Pt1 149.6(5) . . ?
C8 Ni7 Pt1 113.3(3) . . ?
C10 Ni7 Pt1 48.9(3) . . ?
C7 Ni7 Pt2 144.9(5) . . ?
C8 Ni7 Pt2 48.0(3) . . ?
C10 Ni7 Pt2 113.7(3) . . ?
Pt1 Ni7 Pt2 65.41(3) . . ?
O1 C1 Pt5 173.7(13) . . ?
O1 C1 Ni5 173.7(13) . . ?
O2 C2 Ni5 138.1(11) . . ?
O2 C2 Pt5 138.1(11) . . ?
O2 C2 Pt4 137.7(11) . . ?
Pt5 C2 Pt4 83.5(6) . . ?
O2 C2 Ni4 137.7(11) . . ?
Ni5 C2 Ni4 83.5(6) . . ?
O3 C3 Pt4 173.0(14) . . ?
O3 C3 Ni4 173.0(14) . . ?
O4 C4 Ni4 140.7(12) . . ?
O4 C4 Pt4 140.7(12) . . ?
O4 C4 Pt3 136.4(12) . . ?
Pt4 C4 Pt3 82.2(5) . . ?
O4 C4 Ni3 136.4(12) . . ?
Ni4 C4 Ni3 82.2(5) . . ?
O5 C5 Pt3 174.5(13) . . ?
O5 C5 Ni3 174.5(13) . . ?
O6 C6 Pt3 140.2(11) . . ?
O6 C6 Ni3 140.2(11) . . ?
O6 C6 Pt5 137.5(11) . . ?
Pt3 C6 Pt5 81.9(5) . . ?
O6 C6 Ni5 137.5(11) . . ?
Ni3 C6 Ni5 81.9(5) . . ?
O7 C7 Pt7 178.5(14) . . ?
O7 C7 Ni7 178.5(14) . . ?
O8 C8 Pt2 141.6(12) . . ?
O8 C8 Pt7 135.8(11) . . ?
Pt2 C8 Pt7 82.6(5) . . ?
O8 C8 Ni7 135.8(11) . . ?
Pt2 C8 Ni7 82.6(5) . . ?
O9 C9 Pt6 180.0 . . ?
O9 C9 Ni6 180.0 . . ?
O10 C10 Pt1 142.3(10) . . ?
O10 C10 Pt7 135.8(10) . . ?
Pt1 C10 Pt7 81.6(5) . . ?
O10 C10 Ni7 135.8(10) . . ?
Pt1 C10 Ni7 81.6(5) . . ?
O11 C11 Pt2 142.7(11) . . ?
O11 C11 Pt6 134.8(11) . . ?
Pt2 C11 Pt6 82.3(5) . . ?
O11 C11 Ni6 134.8(11) . . ?
Pt2 C11 Ni6 82.3(5) . . ?
C103 N1 C101 108.7(10) . . ?
C117 N1 C113 112.1(18) . . ?
C117 N1 C111 108.6(18) . . ?
C113 N1 C111 105.6(17) . . ?
C117 N1 C115 110.8(18) . . ?
C113 N1 C115 111.1(18) . . ?
C111 N1 C115 108.5(17) . . ?
C103 N1 C107 111.8(11) . . ?
C101 N1 C107 107.9(10) . . ?
C103 N1 C105 109.5(10) . . ?
C101 N1 C105 112.0(10) . . ?
C107 N1 C105 107.0(10) . . ?
N1 C101 C102 116.2(12) . . ?
N1 C101 H10A 108.2 . . ?
C102 C101 H10A 108.2 . . ?
N1 C101 H10B 108.2 . . ?
C102 C101 H10B 108.2 . . ?
H10A C101 H10B 107.4 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
H10C C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
N1 C103 C104 115.4(12) . . ?
N1 C103 H10F 108.4 . . ?
C104 C103 H10F 108.4 . . ?
N1 C103 H10G 108.4 . . ?
C104 C103 H10G 108.4 . . ?
H10F C103 H10G 107.5 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
N1 C105 C106 114.6(13) . . ?
N1 C105 H10K 108.6 . . ?
C106 C105 H10K 108.6 . . ?
N1 C105 H10L 108.6 . . ?
C106 C105 H10L 108.6 . . ?
H10K C105 H10L 107.6 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
H10M C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
N1 C107 C108 116.7(12) . . ?
N1 C107 H10P 108.1 . . ?
C108 C107 H10P 108.1 . . ?
N1 C107 H10Q 108.1 . . ?
C108 C107 H10Q 108.1 . . ?
H10P C107 H10Q 107.3 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
H10R C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
N1 C111 C112 117(2) . . ?
N1 C111 H11A 108.1 . . ?
C112 C111 H11A 108.1 . . ?
N1 C111 H11B 108.1 . . ?
C112 C111 H11B 108.1 . . ?
H11A C111 H11B 107.3 . . ?
C111 C112 H11C 109.5 . . ?
C111 C112 H11D 109.5 . . ?
H11C C112 H11D 109.5 . . ?
C111 C112 H11E 109.5 . . ?
H11C C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
N1 C113 C114 117(2) . . ?
N1 C113 H11F 108.1 . . ?
C114 C113 H11F 108.1 . . ?
N1 C113 H11G 108.1 . . ?
C114 C113 H11G 108.1 . . ?
H11F C113 H11G 107.3 . . ?
C113 C114 H11H 109.5 . . ?
C113 C114 H11I 109.5 . . ?
H11H C114 H11I 109.5 . . ?
C113 C114 H11J 109.5 . . ?
H11H C114 H11J 109.5 . . ?
H11I C114 H11J 109.5 . . ?
N1 C115 C116 116(2) . . ?
N1 C115 H11K 108.4 . . ?
C116 C115 H11K 108.4 . . ?
N1 C115 H11L 108.4 . . ?
C116 C115 H11L 108.4 . . ?
H11K C115 H11L 107.5 . . ?
C115 C116 H11M 109.5 . . ?
C115 C116 H11N 109.5 . . ?
H11M C116 H11N 109.5 . . ?
C115 C116 H11O 109.5 . . ?
H11M C116 H11O 109.5 . . ?
H11N C116 H11O 109.5 . . ?
N1 C117 C118 120(2) . . ?
N1 C117 H11P 107.3 . . ?
C118 C117 H11P 107.3 . . ?
N1 C117 H11Q 107.3 . . ?
C118 C117 H11Q 107.3 . . ?
H11P C117 H11Q 106.9 . . ?
C117 C118 H11R 109.5 . . ?
C117 C118 H11S 109.5 . . ?
H11R C118 H11S 109.5 . . ?
C117 C118 H11T 109.5 . . ?
H11R C118 H11T 109.5 . . ?
H11S C118 H11T 109.5 . . ?
C217 N2 C213 118.7(17) . . ?
C201 N2 C205 117.8(13) . . ?
C217 N2 C211 108.0(14) . . ?
C213 N2 C211 106.6(17) . . ?
C201 N2 C207 108.9(10) . . ?
C205 N2 C207 108.5(12) . . ?
C217 N2 C215 110.9(16) . . ?
C213 N2 C215 106.1(14) . . ?
C211 N2 C215 105.6(16) . . ?
C201 N2 C203 109.6(12) . . ?
C205 N2 C203 104.6(11) . . ?
C207 N2 C203 106.7(12) . . ?
N2 C201 C202 114.3(14) . . ?
N2 C201 H20A 108.7 . . ?
C202 C201 H20A 108.7 . . ?
N2 C201 H20B 108.7 . . ?
C202 C201 H20B 108.7 . . ?
H20A C201 H20B 107.6 . . ?
C201 C202 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
H20C C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20C C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
N2 C203 C204 116.4(16) . . ?
N2 C203 H20F 108.2 . . ?
C204 C203 H20F 108.2 . . ?
N2 C203 H20G 108.2 . . ?
C204 C203 H20G 108.2 . . ?
H20F C203 H20G 107.3 . . ?
C203 C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
C203 C204 H20J 109.5 . . ?
H20H C204 H20J 109.5 . . ?
H20I C204 H20J 109.5 . . ?
N2 C205 C206 114.8(14) . . ?
N2 C205 H20K 108.6 . . ?
C206 C205 H20K 108.6 . . ?
N2 C205 H20L 108.6 . . ?
C206 C205 H20L 108.6 . . ?
H20K C205 H20L 107.6 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
H20M C206 H20N 109.5 . . ?
C205 C206 H20O 109.5 . . ?
H20M C206 H20O 109.5 . . ?
H20N C206 H20O 109.5 . . ?
N2 C207 C208 118.4(13) . . ?
N2 C207 H20P 107.7 . . ?
C208 C207 H20P 107.7 . . ?
N2 C207 H20Q 107.7 . . ?
C208 C207 H20Q 107.7 . . ?
H20P C207 H20Q 107.1 . . ?
C207 C208 H20R 109.5 . . ?
C207 C208 H20S 109.5 . . ?
H20R C208 H20S 109.5 . . ?
C207 C208 H20T 109.5 . . ?
H20R C208 H20T 109.5 . . ?
H20S C208 H20T 109.5 . . ?
N2 C211 C212 118(2) . . ?
N2 C211 H21A 107.7 . . ?
C212 C211 H21A 107.7 . . ?
N2 C211 H21B 107.7 . . ?
C212 C211 H21B 107.7 . . ?
H21A C211 H21B 107.1 . . ?
C211 C212 H21C 109.5 . . ?
C211 C212 H21D 109.5 . . ?
H21C C212 H21D 109.5 . . ?
C211 C212 H21E 109.5 . . ?
H21C C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
N2 C213 C214 118(2) . . ?
N2 C213 H21F 107.9 . . ?
C214 C213 H21F 107.9 . . ?
N2 C213 H21G 107.9 . . ?
C214 C213 H21G 107.9 . . ?
H21F C213 H21G 107.2 . . ?
C213 C214 H21H 109.5 . . ?
C213 C214 H21I 109.5 . . ?
H21H C214 H21I 109.5 . . ?
C213 C214 H21J 109.5 . . ?
H21H C214 H21J 109.5 . . ?
H21I C214 H21J 109.5 . . ?
N2 C215 C216 117.1(19) . . ?
N2 C215 H21K 108.0 . . ?
C216 C215 H21K 108.0 . . ?
N2 C215 H21L 108.0 . . ?
C216 C215 H21L 108.0 . . ?
H21K C215 H21L 107.3 . . ?
C215 C216 H21M 109.5 . . ?
C215 C216 H21N 109.5 . . ?
H21M C216 H21N 109.5 . . ?
C215 C216 H21O 109.5 . . ?
H21M C216 H21O 109.5 . . ?
H21N C216 H21O 109.5 . . ?
N2 C217 C218 116(2) . . ?
N2 C217 H21P 108.2 . . ?
C218 C217 H21P 108.2 . . ?
N2 C217 H21Q 108.2 . . ?
C218 C217 H21Q 108.2 . . ?
H21P C217 H21Q 107.4 . . ?
C217 C218 H21R 109.5 . . ?
C217 C218 H21S 109.5 . . ?
H21R C218 H21S 109.5 . . ?
C217 C218 H21T 109.5 . . ?
H21R C218 H21T 109.5 . . ?
H21S C218 H21T 109.5 . . ?

_refine_diff_density_max         1.727
_refine_diff_density_min         -2.928
_refine_diff_density_rms         0.247



####################################################################### 
# 
# 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_Ni323Pt1577
_database_code_depnum_ccdc_archive 'CCDC 2217073'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2023-01-29 deposited with the CCDC.	2023-02-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT201_Ni323Pt1577         
;
PROBLEM: Isotropic non-H Atoms in Main Residue
RESPONSE: The CO ligands are disordered but, due
to low quality crystals and the presence of 
several heavy atoms, it has not been possible
to properly model the disorder. Thus, CO ligands
have been refined isotropically,
;
_vrf_PLAT342_Ni323Pt1577         
;
PROBLEM: Low Bond Precision on C-C Bonds
RESPONSE: The cluster anion does not contain C-C 
bonds. The Alert refers to the MeCN solvent 
molecule and [NBu4]+ cations. Due to the presence 
of disorder and several heavy elements, it is not 
possible to obtain higher precision on the C-C bonds. 
;
_vrf_PLAT971_Ni323Pt1577         
;
PROBLEM: Check Calcd Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom. 
This is mainly due to strong absorption effects, as 
well as disorder.
;
_vrf_PLAT972_Ni323Pt1577         
;
PROBLEM: Check Calcd Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom. 
This is mainly due to strong absorption effects, as 
well as disorder.
;
_vrf_PLAT976_Ni323Pt1577         
;
PROBLEM: Check Calcd Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom. 
This is mainly due to strong absorption effects, as 
well as disorder.
;
_vrf_PLAT084_Ni323Pt1577         
;
PROBLEM: High wR2 Value
RESPONSE: The [NBu4]+ cations are located on mirror
planes and disordered, but it has not been possible 
to properly model their disorder. This adds to low
quality data and strong absorbing crystals. Thus, 
only the heavy atoms have been refined anisotropically,
whereas lighter atoms have been refiend isotropically
;
# end Validation Reply Form   
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C90 H150 N6 Ni3.11 O22 Pt15.89'
_chemical_formula_weight         4950.72

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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      orthorhombic
_space_group_IT_number           59
_space_group_name_H-M_alt        'P m m n'
_space_group_name_Hall           '-P 2ab 2a'

_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'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'

_cell_length_a                   17.067(4)
_cell_length_b                   20.438(5)
_cell_length_c                   16.797(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5859(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9867
_cell_measurement_theta_min      2.3845
_cell_measurement_theta_max      26.4895

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.806
_exptl_crystal_F_000             4469
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    19.429
_shelx_estimated_absorpt_T_min   0.128
_shelx_estimated_absorpt_T_max   0.204
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.0165
_exptl_absorpt_correction_T_max  0.0788
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1914 (selected reflections only, before parameter refinement)
 R(int) = 0.1030(selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            52911
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_av_R_equivalents  0.0887
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.971
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             5476
_reflns_number_gt                3744
_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       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_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)+(0.1534P)²+1206.2792P] 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         5476
_refine_ls_number_parameters     202
_refine_ls_number_restraints     85
_refine_ls_R_factor_all          0.1777
_refine_ls_R_factor_gt           0.1507
_refine_ls_wR_factor_ref         0.4267
_refine_ls_wR_factor_gt          0.3959
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_restrained_S_all      1.120
_refine_ls_shift/su_max          0.000
_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
Pt1 Pt 0.32686(13) 0.2500 0.74974(15) 0.0492(7) Uani 1 2 d S T P . .
Pt2 Pt 0.2500 0.31989(11) 0.86699(16) 0.0553(7) Uani 1 2 d DS T P . .
Pt3 Pt 0.2500 0.2500 0.6046(2) 0.0600(10) Uani 1 4 d DS T P . .
Pt4 Pt 0.48215(15) 0.2500 0.75048(18) 0.0628(8) Uani 1 2 d DS T P . .
Pt5 Pt 0.2500 0.36347(12) 0.70461(17) 0.0605(8) Uani 1 2 d DS T P . .
Pt6 Pt 0.0928(2) 0.2500 0.6077(2) 0.0672(16) Uani 0.73(2) 2 d DS T P . .
Ni6 Ni 0.0928(2) 0.2500 0.6077(2) 0.0672(16) Uani 0.27(2) 2 d S T P . .
Pt7 Pt 0.40607(14) 0.31890(12) 0.86541(16) 0.0611(11) Uani 0.646(14) 1 d D . P
. .
Ni7 Ni 0.40607(14) 0.31890(12) 0.86541(16) 0.0611(11) Uani 0.354(14) 1 d . . P
. .
Pt8 Pt 0.40579(15) 0.36147(11) 0.70669(17) 0.0648(11) Uani 0.683(14) 1 d D . P
. .
Ni8 Ni 0.40579(15) 0.36147(11) 0.70669(17) 0.0648(11) Uani 0.317(14) 1 d . . P
. .
C1 C 0.002(3) 0.2500 0.553(5) 0.108(18) Uiso 1 2 d DS U P . .
C2 C 0.1698(12) 0.2500 0.5177(11) 0.105(18) Uiso 1 2 d DS U P . .
C3 C 0.3298(12) 0.4243(18) 0.657(3) 0.095(12) Uiso 1 1 d D U . . .
C4 C 0.497(2) 0.405(3) 0.694(4) 0.101(13) Uiso 1 1 d D U . . .
C5 C 0.5872(11) 0.2500 0.753(4) 0.057(10) Uiso 1 2 d DS U P . .
C6 C 0.497(2) 0.348(3) 0.906(4) 0.095(12) Uiso 1 1 d D U . . .
C7 C 0.3290(12) 0.363(3) 0.937(3) 0.095(12) Uiso 1 1 d D U . . .
O1 O -0.053(3) 0.2500 0.513(3) 0.111(17) Uiso 1 2 d DS U P . .
O2 O 0.167(3) 0.2500 0.4494(16) 0.103(17) Uiso 1 2 d DS U P . .
O3 O 0.337(2) 0.4796(15) 0.644(3) 0.094(11) Uiso 1 1 d D U . . .
O4 O 0.5559(19) 0.433(2) 0.699(3) 0.106(12) Uiso 1 1 d D U . . .
O5 O 0.6537(13) 0.2500 0.756(2) 0.047(8) Uiso 1 2 d DS U P . .
O6 O 0.5541(18) 0.366(2) 0.936(2) 0.098(11) Uiso 1 1 d D U . . .
O7 O 0.336(2) 0.394(2) 0.993(2) 0.094(11) Uiso 1 1 d D U . . .
N1 N 0.2500 0.577(3) 0.890(3) 0.104(10) Uiso 1 2 d DS U P . .
C101 C 0.2500 0.618(3) 0.962(3) 0.095(11) Uiso 1 2 d DS U P . .
H10A H 0.2033 0.6467 0.9598 0.114 Uiso 0.5 1 calc R U P . .
H10B H 0.2967 0.6467 0.9598 0.114 Uiso 0.5 1 calc R U P . .
C102 C 0.2500 0.583(3) 1.043(4) 0.091(12) Uiso 1 2 d DS U P . .
H10C H 0.2029 0.5549 1.0475 0.109 Uiso 0.5 1 calc R U P . .
H10D H 0.2971 0.5549 1.0475 0.109 Uiso 0.5 1 calc R U P . .
C103 C 0.2500 0.635(3) 1.108(4) 0.089(13) Uiso 1 2 d DS U P . .
H10E H 0.2971 0.6630 1.1039 0.107 Uiso 0.5 1 calc R U P . .
H10F H 0.2029 0.6630 1.1039 0.107 Uiso 0.5 1 calc R U P . .
C104 C 0.2500 0.598(4) 1.187(4) 0.095(18) Uiso 1 2 d DS U P . .
H10G H 0.2500 0.6293 1.2314 0.143 Uiso 1 2 calc DR U P . .
H10H H 0.2031 0.5704 1.1905 0.143 Uiso 0.5 1 calc DR U P . .
H10I H 0.2969 0.5704 1.1905 0.143 Uiso 0.5 1 calc R U P . .
C105 C 0.2500 0.630(3) 0.831(4) 0.113(12) Uiso 1 2 d DS U P . .
H10J H 0.2971 0.6574 0.8366 0.135 Uiso 0.5 1 calc R U P . .
H10K H 0.2029 0.6574 0.8366 0.135 Uiso 0.5 1 calc R U P . .
C106 C 0.2500 0.596(5) 0.750(3) 0.124(14) Uiso 1 2 d DS U P . .
H10L H 0.2031 0.5682 0.7448 0.148 Uiso 0.5 1 calc R U P . .
H10M H 0.2969 0.5682 0.7448 0.148 Uiso 0.5 1 calc R U P . .
C107 C 0.2500 0.647(3) 0.682(4) 0.133(16) Uiso 1 2 d DS U P . .
H10N H 0.2027 0.6749 0.6841 0.159 Uiso 0.5 1 calc R U P . .
H10O H 0.2973 0.6749 0.6841 0.159 Uiso 0.5 1 calc R U P . .
C108 C 0.2500 0.604(2) 0.608(3) 0.16(2) Uiso 1 2 d DS U P . .
H10P H 0.2500 0.6312 0.5600 0.234 Uiso 1 2 calc DR U P . .
H10Q H 0.2969 0.5759 0.6077 0.234 Uiso 0.5 1 calc R U P . .
H10R H 0.2031 0.5759 0.6077 0.234 Uiso 0.5 1 calc R U P . .
C109 C 0.183(3) 0.533(3) 0.879(5) 0.104(10) Uiso 1 1 d D U . . .
H10S H 0.1811 0.5021 0.9250 0.124 Uiso 1 1 calc R U . . .
H10T H 0.1919 0.5066 0.8306 0.124 Uiso 1 1 calc R U . . .
C110 C 0.105(3) 0.568(3) 0.873(5) 0.108(11) Uiso 1 1 d D U . . .
H11A H 0.1017 0.5920 0.8216 0.129 Uiso 1 1 calc R U . . .
H11B H 0.0986 0.5996 0.9167 0.129 Uiso 1 1 calc R U . . .
C111 C 0.041(3) 0.516(3) 0.877(4) 0.109(12) Uiso 1 1 d D U . . .
H11C H 0.0510 0.4827 0.8347 0.130 Uiso 1 1 calc R U . . .
H11D H 0.0442 0.4933 0.9287 0.130 Uiso 1 1 calc R U . . .
C112 C -0.042(3) 0.542(4) 0.866(4) 0.116(17) Uiso 1 1 d D U . . .
H11E H -0.0795 0.5059 0.8693 0.173 Uiso 1 1 calc R U . . .
H11F H -0.0532 0.5740 0.9080 0.173 Uiso 1 1 calc R U . . .
H11G H -0.0464 0.5633 0.8139 0.173 Uiso 1 1 calc R U . . .
N2 N 0.2500 0.447(5) 0.397(5) 0.171(14) Uiso 1 2 d DS U P . .
C201 C 0.2500 0.518(5) 0.387(8) 0.171(15) Uiso 1 2 d DS U P . .
H20A H 0.2035 0.5294 0.3542 0.206 Uiso 0.5 1 calc R U P . .
H20B H 0.2965 0.5294 0.3542 0.206 Uiso 0.5 1 calc R U P . .
C202 C 0.2500 0.565(5) 0.457(8) 0.172(15) Uiso 1 2 d DS U P . .
H20C H 0.2968 0.5564 0.4905 0.207 Uiso 0.5 1 calc R U P . .
H20D H 0.2032 0.5564 0.4905 0.207 Uiso 0.5 1 calc R U P . .
C203 C 0.2500 0.638(6) 0.435(3) 0.174(16) Uiso 1 2 d DS U P . .
H20E H 0.2032 0.6589 0.4582 0.208 Uiso 0.5 1 calc R U P . .
H20F H 0.2968 0.6589 0.4582 0.208 Uiso 0.5 1 calc R U P . .
C204 C 0.2500 0.6511(4) 0.345(3) 0.179(18) Uiso 1 2 d DS U P . .
H20G H 0.2500 0.6984 0.3359 0.268 Uiso 1 2 calc DR U P . .
H20H H 0.2969 0.6316 0.3213 0.268 Uiso 0.5 1 calc R U P . .
H20I H 0.2031 0.6316 0.3213 0.268 Uiso 0.5 1 calc R U P . .
C205 C 0.1814(6) 0.429(6) 0.445(5) 0.172(15) Uiso 1 1 d D U . . .
H20J H 0.1804 0.4574 0.4928 0.207 Uiso 1 1 calc R U . . .
H20K H 0.1883 0.3835 0.4636 0.207 Uiso 1 1 calc DR U . . .
C206 C 0.102(3) 0.434(6) 0.404(5) 0.174(15) Uiso 1 1 d D U . . .
H20L H 0.1009 0.4054 0.3567 0.209 Uiso 1 1 calc R U . . .
H20M H 0.0925 0.4796 0.3868 0.209 Uiso 1 1 calc R U . . .
C207 C 0.039(5) 0.413(6) 0.464(4) 0.176(15) Uiso 1 1 d D U . . .
H20N H 0.0489 0.3681 0.4842 0.211 Uiso 1 1 calc R U . . .
H20O H 0.0353 0.4435 0.5092 0.211 Uiso 1 1 calc R U . . .
C208 C -0.036(3) 0.415(5) 0.413(6) 0.179(18) Uiso 1 1 d D U . . .
H20P H -0.0810 0.4017 0.4460 0.268 Uiso 1 1 calc R U . . .
H20Q H -0.0442 0.4592 0.3932 0.268 Uiso 1 1 calc R U . . .
H20R H -0.0307 0.3844 0.3683 0.268 Uiso 1 1 calc R U . . .
C209 C 0.2500 0.423(6) 0.315(7) 0.172(15) Uiso 1 2 d DS U P . .
H20S H 0.2968 0.4406 0.2871 0.206 Uiso 0.5 1 calc R U P . .
H20T H 0.2032 0.4406 0.2871 0.206 Uiso 0.5 1 calc R U P . .
C210 C 0.2500 0.349(6) 0.307(6) 0.173(15) Uiso 1 2 d DS U P . .
H21A H 0.2036 0.3330 0.3364 0.207 Uiso 0.5 1 calc R U P . .
H21B H 0.2964 0.3330 0.3364 0.207 Uiso 0.5 1 calc R U P . .
C211 C 0.2500 0.311(4) 0.228(7) 0.173(16) Uiso 1 2 d DS U P . .
H21C H 0.2967 0.2823 0.2268 0.208 Uiso 0.5 1 calc R U P . .
H21D H 0.2033 0.2823 0.2268 0.208 Uiso 0.5 1 calc R U P . .
C212 C 0.2500 0.352(7) 0.152(6) 0.173(18) Uiso 1 2 d DS U P . .
H21E H 0.2500 0.3230 0.1054 0.259 Uiso 1 2 calc R U P . .
H21F H 0.2031 0.3797 0.1508 0.259 Uiso 0.5 1 calc R U P . .
H21G H 0.2969 0.3797 0.1508 0.259 Uiso 0.5 1 calc R U P . .
N301 N 0.601(3) 0.2500 0.110(5) 0.089(16) Uiso 1 2 d DS U P . .
C302 C 0.534(3) 0.2500 0.106(5) 0.091(16) Uiso 1 2 d DS U P . .
C303 C 0.449(4) 0.2500 0.089(5) 0.091(18) Uiso 1 2 d DS U P . .
H30A H 0.4210 0.2708 0.1330 0.137 Uiso 0.5 1 calc R U P . .
H30B H 0.4306 0.2048 0.0826 0.137 Uiso 0.5 1 calc R U P . .
H30C H 0.4389 0.2744 0.0396 0.137 Uiso 0.5 1 calc R U P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Pt1 2.624(4) 2 ?
Pt1 Pt4 2.650(3) . ?
Pt1 Ni8 2.744(3) ? ?
Pt1 Pt8 2.744(3) ? ?
Pt1 Pt8 2.744(3) . ?
Pt1 Ni6 2.752(4) 2 ?
Pt1 Pt6 2.752(4) 2 ?
Pt1 Ni7 2.754(3) 7_565 ?
Pt1 Pt7 2.754(3) 7_565 ?
Pt1 Pt7 2.754(3) . ?
Pt2 C7 1.995(19) 8_655 ?
Pt2 C7 1.995(19) . ?
Pt2 Pt7 2.664(2) . ?
Pt2 Ni7 2.664(2) 8_655 ?
Pt2 Pt7 2.664(2) 8_655 ?
Pt2 Pt1 2.764(3) 2 ?
Pt2 Pt2 2.857(5) 2 ?
Pt2 Pt5 2.869(4) . ?
Pt3 C2 2.00(2) . ?
Pt3 C2 2.00(2) 2 ?
Pt3 Ni6 2.683(4) 2 ?
Pt3 Pt6 2.683(4) 2 ?
Pt3 Pt6 2.683(4) . ?
Pt3 Pt1 2.768(4) 2 ?
Pt3 Pt5 2.863(3) . ?
Pt3 Pt5 2.863(3) 2 ?
Pt4 C5 1.793(18) . ?
Pt4 Ni6 2.719(5) 2 ?
Pt4 Pt6 2.719(5) 2 ?
Pt4 Ni7 2.719(3) 7_565 ?
Pt4 Pt7 2.719(3) 7_565 ?
Pt4 Pt7 2.719(3) . ?
Pt4 Ni8 2.726(3) ? ?
Pt4 Pt8 2.726(3) ? ?
Pt4 Pt8 2.726(3) . ?
Pt5 C3 2.008(19) . ?
Pt5 C3 2.008(19) 8_655 ?
Pt5 Ni8 2.659(3) 8_655 ?
Pt5 Pt8 2.659(3) 8_655 ?
Pt5 Pt8 2.659(3) . ?
Pt5 Pt1 2.770(3) 2 ?
Pt6 C1 1.80(2) . ?
Pt6 C2 2.00(2) . ?
Pt6 Pt4 2.719(5) 2 ?
Pt6 Pt1 2.752(4) 2 ?
Pt6 Ni8 2.821(3) 8_655 ?
Pt6 Pt8 2.821(3) 8_655 ?
Pt6 Pt8 2.821(3) 2 ?
Pt6 Ni8 2.821(3) 2 ?
Pt7 C6 1.798(19) . ?
Pt7 C7 1.998(19) . ?
Pt7 Pt8 2.804(4) . ?
Pt7 Ni7 2.816(5) 7_565 ?
Pt7 Pt7 2.816(5) 7_565 ?
Pt8 C4 1.804(19) . ?
Pt8 C3 2.005(19) . ?
Pt8 Ni6 2.821(3) 2 ?
Pt8 Pt6 2.821(3) 2 ?
C1 O1 1.15(2) . ?
C2 O2 1.15(2) . ?
C3 O3 1.159(19) . ?
C4 O4 1.157(19) . ?
C5 O5 1.136(18) . ?
C6 O6 1.155(19) . ?
C7 O7 1.147(19) . ?
N1 C109 1.47(2) 8_655 ?
N1 C109 1.47(2) . ?
N1 C101 1.47(2) . ?
N1 C105 1.47(2) . ?
C101 C102 1.53(2) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 C103 1.53(2) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C103 C104 1.53(2) . ?
C103 H10E 0.9900 . ?
C103 H10F 0.9900 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 C106 1.52(2) . ?
C105 H10J 0.9900 . ?
C105 H10K 0.9900 . ?
C106 C107 1.53(2) . ?
C106 H10L 0.9900 . ?
C106 H10M 0.9900 . ?
C107 C108 1.53(2) . ?
C107 H10N 0.9900 . ?
C107 H10O 0.9900 . ?
C108 H10P 0.9800 . ?
C108 H10Q 0.9800 . ?
C108 H10R 0.9800 . ?
C109 C110 1.52(2) . ?
C109 H10S 0.9900 . ?
C109 H10T 0.9900 . ?
C110 C111 1.53(2) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 C112 1.52(2) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
N2 C209 1.47(2) . ?
N2 C205 1.47(2) . ?
N2 C205 1.47(2) 8_655 ?
N2 C201 1.47(2) . ?
C201 C202 1.52(2) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 C203 1.53(2) . ?
C202 H20C 0.9900 . ?
C202 H20D 0.9900 . ?
C203 C204 1.52(2) . ?
C203 H20E 0.9900 . ?
C203 H20F 0.9900 . ?
C204 H20G 0.9800 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C205 C206 1.52(2) . ?
C205 H20J 0.9900 . ?
C205 H20K 0.9900 . ?
C206 C207 1.54(2) . ?
C206 H20L 0.9900 . ?
C206 H20M 0.9900 . ?
C207 C208 1.53(2) . ?
C207 H20N 0.9900 . ?
C207 H20O 0.9900 . ?
C208 H20P 0.9800 . ?
C208 H20Q 0.9800 . ?
C208 H20R 0.9800 . ?
C209 C210 1.53(2) . ?
C209 H20S 0.9900 . ?
C209 H20T 0.9900 . ?
C210 C211 1.53(2) . ?
C210 H21A 0.9900 . ?
C210 H21B 0.9900 . ?
C211 C212 1.53(2) . ?
C211 H21C 0.9900 . ?
C211 H21D 0.9900 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
N301 C302 1.14(2) . ?
C302 C303 1.49(2) . ?
C303 H30A 0.9800 . ?
C303 H30B 0.9800 . ?
C303 H30C 0.9800 . ?

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
Pt1 Pt1 Pt4 179.73(8) 2 . ?
Pt1 Pt1 Ni8 119.40(7) 2 ? ?
Pt4 Pt1 Ni8 60.68(7) . ? ?
Pt1 Pt1 Pt8 119.40(7) 2 ? ?
Pt4 Pt1 Pt8 60.68(7) . ? ?
Ni8 Pt1 Pt8 0.0 ? ? ?
Pt1 Pt1 Pt8 119.40(7) 2 . ?
Pt4 Pt1 Pt8 60.68(7) . . ?
Ni8 Pt1 Pt8 112.3 ? . ?
Pt8 Pt1 Pt8 112.27(13) ? . ?
Pt1 Pt1 Ni6 119.87(9) 2 2 ?
Pt4 Pt1 Ni6 60.40(11) . 2 ?
Ni8 Pt1 Ni6 61.77(8) ? 2 ?
Pt8 Pt1 Ni6 61.77(8) ? 2 ?
Pt8 Pt1 Ni6 61.77(7) . 2 ?
Pt1 Pt1 Pt6 119.87(9) 2 2 ?
Pt4 Pt1 Pt6 60.40(11) . 2 ?
Ni8 Pt1 Pt6 61.77(8) ? 2 ?
Pt8 Pt1 Pt6 61.77(8) ? 2 ?
Pt8 Pt1 Pt6 61.77(7) . 2 ?
Ni6 Pt1 Pt6 0.0 2 2 ?
Pt1 Pt1 Ni7 119.40(7) 2 7_565 ?
Pt4 Pt1 Ni7 60.38(8) . 7_565 ?
Ni6 Pt1 Ni7 111.54(11) 2 7_565 ?
Pt6 Pt1 Ni7 111.54(11) 2 7_565 ?
Pt1 Pt1 Pt7 119.40(7) 2 7_565 ?
Pt4 Pt1 Pt7 60.38(8) . 7_565 ?
Ni6 Pt1 Pt7 111.54(11) 2 7_565 ?
Pt6 Pt1 Pt7 111.54(11) 2 7_565 ?
Ni7 Pt1 Pt7 0.0 7_565 7_565 ?
Pt1 Pt1 Pt7 119.40(7) 2 . ?
Pt4 Pt1 Pt7 60.39(8) . . ?
Pt8 Pt1 Pt7 61.34(8) . . ?
Ni6 Pt1 Pt7 111.54(11) 2 . ?
Pt6 Pt1 Pt7 111.54(11) 2 . ?
Ni7 Pt1 Pt7 61.5 7_565 . ?
Pt7 Pt1 Pt7 61.50(12) 7_565 . ?
C7 Pt2 C7 85.0(11) 8_655 . ?
C7 Pt2 Pt7 133.2(6) 8_655 . ?
C7 Pt2 Pt7 48.2(6) . . ?
C7 Pt2 Ni7 48.2(6) 8_655 8_655 ?
C7 Pt2 Ni7 133.2(6) . 8_655 ?
Pt7 Pt2 Ni7 178.6 . 8_655 ?
C7 Pt2 Pt7 48.2(6) 8_655 8_655 ?
C7 Pt2 Pt7 133.2(6) . 8_655 ?
Pt7 Pt2 Pt7 178.56(15) . 8_655 ?
Ni7 Pt2 Pt7 0.0 8_655 8_655 ?
C7 Pt2 Pt1 109.2(6) 8_655 2 ?
C7 Pt2 Pt1 165.8(6) . 2 ?
Pt7 Pt2 Pt1 117.61(10) . 2 ?
Ni7 Pt2 Pt1 60.95(8) 8_655 2 ?
Pt7 Pt2 Pt1 60.95(8) 8_655 2 ?
C7 Pt2 Pt1 165.8(6) 8_655 . ?
C7 Pt2 Pt1 109.2(6) . . ?
Pt7 Pt2 Pt1 60.95(8) . . ?
Ni7 Pt2 Pt1 117.61(10) 8_655 . ?
Pt7 Pt2 Pt1 117.61(10) 8_655 . ?
Pt1 Pt2 Pt1 56.67(10) 2 . ?
C7 Pt2 Pt2 115.9(18) 8_655 2 ?
C7 Pt2 Pt2 115.9(18) . 2 ?
Pt7 Pt2 Pt2 89.56(7) . 2 ?
Ni7 Pt2 Pt2 89.56(7) 8_655 2 ?
Pt7 Pt2 Pt2 89.56(7) 8_655 2 ?
Pt1 Pt2 Pt2 58.88(5) 2 2 ?
Pt1 Pt2 Pt2 58.88(5) . 2 ?
C7 Pt2 Pt5 115.4(18) 8_655 . ?
C7 Pt2 Pt5 115.4(18) . . ?
Pt7 Pt2 Pt5 89.59(8) . . ?
Ni7 Pt2 Pt5 89.59(8) 8_655 . ?
Pt7 Pt2 Pt5 89.59(8) 8_655 . ?
Pt1 Pt2 Pt5 58.88(8) 2 . ?
Pt1 Pt2 Pt5 58.88(8) . . ?
Pt2 Pt2 Pt5 108.09(7) 2 . ?
C2 Pt3 C2 86.3(12) . 2 ?
C2 Pt3 Ni6 134.2(6) . 2 ?
C2 Pt3 Ni6 48.0(6) 2 2 ?
C2 Pt3 Pt6 134.2(6) . 2 ?
C2 Pt3 Pt6 48.0(6) 2 2 ?
Ni6 Pt3 Pt6 0.0 2 2 ?
C2 Pt3 Pt6 48.0(6) . . ?
C2 Pt3 Pt6 134.2(6) 2 . ?
Ni6 Pt3 Pt6 177.8 2 . ?
Pt6 Pt3 Pt6 177.8(2) 2 . ?
C2 Pt3 Pt1 108.6(6) . 2 ?
C2 Pt3 Pt1 165.2(6) 2 2 ?
Ni6 Pt3 Pt1 117.20(15) 2 2 ?
Pt6 Pt3 Pt1 117.20(15) 2 2 ?
Pt6 Pt3 Pt1 60.62(10) . 2 ?
C2 Pt3 Pt1 165.2(6) . . ?
C2 Pt3 Pt1 108.6(6) 2 . ?
Ni6 Pt3 Pt1 60.62(10) 2 . ?
Pt6 Pt3 Pt1 60.62(10) 2 . ?
Pt6 Pt3 Pt1 117.20(15) . . ?
Pt1 Pt3 Pt1 56.58(12) 2 . ?
C2 Pt3 Pt5 115.3(3) . . ?
C2 Pt3 Pt5 115.3(3) 2 . ?
Ni6 Pt3 Pt5 89.36(7) 2 . ?
Pt6 Pt3 Pt5 89.36(7) 2 . ?
Pt6 Pt3 Pt5 89.36(7) . . ?
Pt1 Pt3 Pt5 58.91(8) 2 . ?
Pt1 Pt3 Pt5 58.91(8) . . ?
C2 Pt3 Pt5 115.3(3) . 2 ?
C2 Pt3 Pt5 115.3(3) 2 2 ?
Ni6 Pt3 Pt5 89.36(7) 2 2 ?
Pt6 Pt3 Pt5 89.36(7) 2 2 ?
Pt6 Pt3 Pt5 89.36(7) . 2 ?
Pt1 Pt3 Pt5 58.91(8) 2 2 ?
Pt1 Pt3 Pt5 58.91(8) . 2 ?
Pt5 Pt3 Pt5 108.19(16) . 2 ?
C5 Pt4 Pt1 179(2) . . ?
C5 Pt4 Ni6 120(2) . 2 ?
Pt1 Pt4 Ni6 61.64(11) . 2 ?
C5 Pt4 Pt6 120(2) . 2 ?
Pt1 Pt4 Pt6 61.64(11) . 2 ?
Ni6 Pt4 Pt6 0.0 2 2 ?
C5 Pt4 Ni7 117.3(18) . 7_565 ?
Pt1 Pt4 Ni7 61.70(8) . 7_565 ?
Ni6 Pt4 Ni7 113.67(12) 2 7_565 ?
Pt6 Pt4 Ni7 113.67(12) 2 7_565 ?
C5 Pt4 Pt7 117.3(18) . 7_565 ?
Pt1 Pt4 Pt7 61.70(8) . 7_565 ?
Ni6 Pt4 Pt7 113.67(12) 2 7_565 ?
Pt6 Pt4 Pt7 113.67(12) 2 7_565 ?
Ni7 Pt4 Pt7 0.0 7_565 7_565 ?
C5 Pt4 Pt7 117.3(18) . . ?
Pt1 Pt4 Pt7 61.70(8) . . ?
Ni6 Pt4 Pt7 113.67(11) 2 . ?
Pt6 Pt4 Pt7 113.67(11) 2 . ?
Ni7 Pt4 Pt7 62.4 7_565 . ?
Pt7 Pt4 Pt7 62.37(12) 7_565 . ?
C5 Pt4 Ni8 119.0(6) . ? ?
Pt1 Pt4 Ni8 61.35(7) . ? ?
Ni6 Pt4 Ni8 62.41(8) 2 ? ?
Pt6 Pt4 Ni8 62.41(8) 2 ? ?
C5 Pt4 Pt8 119.0(6) . ? ?
Pt1 Pt4 Pt8 61.35(7) . ? ?
Ni6 Pt4 Pt8 62.41(8) 2 ? ?
Pt6 Pt4 Pt8 62.41(8) 2 ? ?
Ni8 Pt4 Pt8 0.0 ? ? ?
C5 Pt4 Pt8 119.0(7) . . ?
Pt1 Pt4 Pt8 61.35(7) . . ?
Ni6 Pt4 Pt8 62.41(8) 2 . ?
Pt6 Pt4 Pt8 62.41(8) 2 . ?
Ni7 Pt4 Pt8 113.33(11) 7_565 . ?
Pt7 Pt4 Pt8 113.33(11) 7_565 . ?
Pt7 Pt4 Pt8 62.00(9) . . ?
Ni8 Pt4 Pt8 113.4 ? . ?
Pt8 Pt4 Pt8 113.40(15) ? . ?
C3 Pt5 C3 85.4(11) . 8_655 ?
C3 Pt5 Ni8 133.8(6) . 8_655 ?
C3 Pt5 Ni8 48.5(6) 8_655 8_655 ?
C3 Pt5 Pt8 133.8(6) . 8_655 ?
C3 Pt5 Pt8 48.5(6) 8_655 8_655 ?
Ni8 Pt5 Pt8 0.0 8_655 8_655 ?
C3 Pt5 Pt8 48.5(6) . . ?
C3 Pt5 Pt8 133.8(6) 8_655 . ?
Ni8 Pt5 Pt8 177.7 8_655 . ?
Pt8 Pt5 Pt8 177.68(15) 8_655 . ?
C3 Pt5 Pt1 161.4(14) . 2 ?
C3 Pt5 Pt1 107.8(7) 8_655 2 ?
Ni8 Pt5 Pt1 60.67(7) 8_655 2 ?
Pt8 Pt5 Pt1 60.67(7) 8_655 2 ?
Pt8 Pt5 Pt1 117.19(10) . 2 ?
C3 Pt5 Pt1 107.8(7) . . ?
C3 Pt5 Pt1 161.4(14) 8_655 . ?
Ni8 Pt5 Pt1 117.19(10) 8_655 . ?
Pt8 Pt5 Pt1 117.19(10) 8_655 . ?
Pt8 Pt5 Pt1 60.67(7) . . ?
Pt1 Pt5 Pt1 56.53(9) 2 . ?
C3 Pt5 Pt3 105.6(18) . . ?
C3 Pt5 Pt3 105.6(18) 8_655 . ?
Ni8 Pt5 Pt3 89.73(7) 8_655 . ?
Pt8 Pt5 Pt3 89.73(7) 8_655 . ?
Pt8 Pt5 Pt3 89.73(7) . . ?
Pt1 Pt5 Pt3 58.83(8) 2 . ?
Pt1 Pt5 Pt3 58.83(8) . . ?
C3 Pt5 Pt2 124.7(15) . . ?
C3 Pt5 Pt2 124.7(15) 8_655 . ?
Ni8 Pt5 Pt2 89.01(8) 8_655 . ?
Pt8 Pt5 Pt2 89.01(8) 8_655 . ?
Pt8 Pt5 Pt2 89.01(8) . . ?
Pt1 Pt5 Pt2 58.67(8) 2 . ?
Pt1 Pt5 Pt2 58.67(8) . . ?
Pt3 Pt5 Pt2 107.82(11) . . ?
C1 Pt6 C2 100(3) . . ?
C1 Pt6 Pt3 148(3) . . ?
C2 Pt6 Pt3 47.9(6) . . ?
C1 Pt6 Pt4 93(3) . 2 ?
C2 Pt6 Pt4 167.1(6) . 2 ?
Pt3 Pt6 Pt4 119.18(16) . 2 ?
C1 Pt6 Pt1 151(3) . 2 ?
C2 Pt6 Pt1 109.1(6) . 2 ?
Pt3 Pt6 Pt1 61.22(12) . 2 ?
Pt4 Pt6 Pt1 57.96(11) 2 2 ?
C1 Pt6 Ni8 107.9(18) . 8_655 ?
C2 Pt6 Ni8 116.1(3) . 8_655 ?
Pt3 Pt6 Ni8 90.17(11) . 8_655 ?
Pt4 Pt6 Ni8 58.92(9) 2 8_655 ?
Pt1 Pt6 Ni8 58.98(8) 2 8_655 ?
C1 Pt6 Pt8 107.9(18) . 8_655 ?
C2 Pt6 Pt8 116.1(3) . 8_655 ?
Pt3 Pt6 Pt8 90.17(11) . 8_655 ?
Pt4 Pt6 Pt8 58.92(9) 2 8_655 ?
Pt1 Pt6 Pt8 58.98(8) 2 8_655 ?
Ni8 Pt6 Pt8 0.0 8_655 8_655 ?
C1 Pt6 Pt8 107.9(18) . 2 ?
C2 Pt6 Pt8 116.1(3) . 2 ?
Pt3 Pt6 Pt8 90.17(11) . 2 ?
Pt4 Pt6 Pt8 58.92(9) 2 2 ?
Pt1 Pt6 Pt8 58.98(8) 2 2 ?
Ni8 Pt6 Pt8 107.7 8_655 2 ?
Pt8 Pt6 Pt8 107.74(16) 8_655 2 ?
C1 Pt6 Ni8 107.9(18) . 2 ?
C2 Pt6 Ni8 116.1(3) . 2 ?
Pt3 Pt6 Ni8 90.17(11) . 2 ?
Pt4 Pt6 Ni8 58.92(9) 2 2 ?
Pt1 Pt6 Ni8 58.98(8) 2 2 ?
Ni8 Pt6 Ni8 107.74(16) 8_655 2 ?
Pt8 Pt6 Ni8 107.74(16) 8_655 2 ?
Pt8 Pt6 Ni8 0.00(12) 2 2 ?
C6 Pt7 C7 101(2) . . ?
C6 Pt7 Pt2 149(2) . . ?
C7 Pt7 Pt2 48.1(6) . . ?
C6 Pt7 Pt4 91(2) . . ?
C7 Pt7 Pt4 167.3(6) . . ?
Pt2 Pt7 Pt4 119.24(12) . . ?
C6 Pt7 Pt1 149(2) . . ?
C7 Pt7 Pt1 109.4(6) . . ?
Pt2 Pt7 Pt1 61.32(9) . . ?
Pt4 Pt7 Pt1 57.92(9) . . ?
C6 Pt7 Pt8 105(2) . . ?
C7 Pt7 Pt8 115.8(18) . . ?
Pt2 Pt7 Pt8 90.31(11) . . ?
Pt4 Pt7 Pt8 59.12(9) . . ?
Pt1 Pt7 Pt8 59.15(8) . . ?
C6 Pt7 Ni7 109(2) . 7_565 ?
C7 Pt7 Ni7 116.5(18) . 7_565 ?
Pt2 Pt7 Ni7 90.44(7) . 7_565 ?
Pt4 Pt7 Ni7 58.81(6) . 7_565 ?
Pt1 Pt7 Ni7 59.25(6) . 7_565 ?
Pt8 Pt7 Ni7 108.07(7) . 7_565 ?
C6 Pt7 Pt7 109(2) . 7_565 ?
C7 Pt7 Pt7 116.5(18) . 7_565 ?
Pt2 Pt7 Pt7 90.44(7) . 7_565 ?
Pt4 Pt7 Pt7 58.81(6) . 7_565 ?
Pt1 Pt7 Pt7 59.25(6) . 7_565 ?
Pt8 Pt7 Pt7 108.07(7) . 7_565 ?
Ni7 Pt7 Pt7 0.0 7_565 7_565 ?
C4 Pt8 C3 101(2) . . ?
C4 Pt8 Pt5 149(2) . . ?
C3 Pt8 Pt5 48.5(6) . . ?
C4 Pt8 Pt4 92(2) . . ?
C3 Pt8 Pt4 163.0(15) . . ?
Pt5 Pt8 Pt4 119.63(11) . . ?
C4 Pt8 Pt1 150(2) . . ?
C3 Pt8 Pt1 108.9(7) . . ?
Pt5 Pt8 Pt1 61.66(8) . . ?
Pt4 Pt8 Pt1 57.97(8) . . ?
C4 Pt8 Pt7 105(2) . . ?
C3 Pt8 Pt7 126.4(16) . . ?
Pt5 Pt8 Pt7 91.09(10) . . ?
Pt4 Pt8 Pt7 58.89(9) . . ?
Pt1 Pt8 Pt7 59.51(9) . . ?
C4 Pt8 Ni6 109(2) . 2 ?
C3 Pt8 Ni6 106.2(19) . 2 ?
Pt5 Pt8 Ni6 90.74(12) . 2 ?
Pt4 Pt8 Ni6 58.67(10) . 2 ?
Pt1 Pt8 Ni6 59.25(9) . 2 ?
Pt7 Pt8 Ni6 108.05(11) . 2 ?
C4 Pt8 Pt6 109(2) . 2 ?
C3 Pt8 Pt6 106.2(19) . 2 ?
Pt5 Pt8 Pt6 90.74(12) . 2 ?
Pt4 Pt8 Pt6 58.67(10) . 2 ?
Pt1 Pt8 Pt6 59.25(9) . 2 ?
Pt7 Pt8 Pt6 108.05(11) . 2 ?
Ni6 Pt8 Pt6 0.0 2 2 ?
O1 C1 Pt6 175(10) . . ?
O2 C2 Pt3 139(3) . . ?
O2 C2 Pt6 136(3) . . ?
Pt3 C2 Pt6 84.2(7) . . ?
O3 C3 Pt8 130(3) . . ?
O3 C3 Pt5 139(3) . . ?
Pt8 C3 Pt5 83.0(7) . . ?
O4 C4 Pt8 170(6) . . ?
O5 C5 Pt4 179(6) . . ?
O6 C6 Pt7 176(6) . . ?
O7 C7 Pt2 143(3) . . ?
O7 C7 Pt7 133(3) . . ?
Pt2 C7 Pt7 83.7(7) . . ?
C109 N1 C109 102(5) 8_655 . ?
C109 N1 C101 117(4) 8_655 . ?
C109 N1 C101 117(4) . . ?
C109 N1 C105 111(3) 8_655 . ?
C109 N1 C105 111(3) . . ?
C101 N1 C105 98(5) . . ?
N1 C101 C102 117(5) . . ?
N1 C101 H10A 108.0 . . ?
C102 C101 H10A 108.0 . . ?
N1 C101 H10B 108.0 . . ?
C102 C101 H10B 108.0 . . ?
H10A C101 H10B 107.2 . . ?
C103 C102 C101 108(5) . . ?
C103 C102 H10C 110.1 . . ?
C101 C102 H10C 110.1 . . ?
C103 C102 H10D 110.1 . . ?
C101 C102 H10D 110.1 . . ?
H10C C102 H10D 108.4 . . ?
C104 C103 C102 106(6) . . ?
C104 C103 H10E 110.5 . . ?
C102 C103 H10E 110.5 . . ?
C104 C103 H10F 110.5 . . ?
C102 C103 H10F 110.5 . . ?
H10E C103 H10F 108.7 . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
N1 C105 C106 106.6(19) . . ?
N1 C105 H10J 110.4 . . ?
C106 C105 H10J 110.4 . . ?
N1 C105 H10K 110.4 . . ?
C106 C105 H10K 110.4 . . ?
H10J C105 H10K 108.6 . . ?
C105 C106 C107 111(5) . . ?
C105 C106 H10L 109.4 . . ?
C107 C106 H10L 109.4 . . ?
C105 C106 H10M 109.4 . . ?
C107 C106 H10M 109.4 . . ?
H10L C106 H10M 108.0 . . ?
C108 C107 C106 102.4(18) . . ?
C108 C107 H10N 111.3 . . ?
C106 C107 H10N 111.3 . . ?
C108 C107 H10O 111.3 . . ?
C106 C107 H10O 111.3 . . ?
H10N C107 H10O 109.2 . . ?
C107 C108 H10P 109.5 . . ?
C107 C108 H10Q 109.5 . . ?
H10P C108 H10Q 109.5 . . ?
C107 C108 H10R 109.5 . . ?
H10P C108 H10R 109.5 . . ?
H10Q C108 H10R 109.5 . . ?
N1 C109 C110 114(3) . . ?
N1 C109 H10S 108.8 . . ?
C110 C109 H10S 108.8 . . ?
N1 C109 H10T 108.8 . . ?
C110 C109 H10T 108.8 . . ?
H10S C109 H10T 107.7 . . ?
C109 C110 C111 107(4) . . ?
C109 C110 H11A 110.3 . . ?
C111 C110 H11A 110.3 . . ?
C109 C110 H11B 110.3 . . ?
C111 C110 H11B 110.3 . . ?
H11A C110 H11B 108.5 . . ?
C112 C111 C110 114(5) . . ?
C112 C111 H11C 108.7 . . ?
C110 C111 H11C 108.7 . . ?
C112 C111 H11D 108.7 . . ?
C110 C111 H11D 108.7 . . ?
H11C C111 H11D 107.6 . . ?
C111 C112 H11E 109.5 . . ?
C111 C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
H11E C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
C209 N2 C205 116(7) . . ?
C209 N2 C205 116(7) . 8_655 ?
C205 N2 C205 106(2) . 8_655 ?
C209 N2 C201 103(8) . . ?
C205 N2 C201 108(8) . . ?
C205 N2 C201 108(8) 8_655 . ?
N2 C201 C202 122(10) . . ?
N2 C201 H20A 106.8 . . ?
C202 C201 H20A 106.8 . . ?
N2 C201 H20B 106.8 . . ?
C202 C201 H20B 106.8 . . ?
H20A C201 H20B 106.6 . . ?
C201 C202 C203 114(10) . . ?
C201 C202 H20C 108.7 . . ?
C203 C202 H20C 108.7 . . ?
C201 C202 H20D 108.7 . . ?
C203 C202 H20D 108.7 . . ?
H20C C202 H20D 107.6 . . ?
C204 C203 C202 115(9) . . ?
C204 C203 H20E 108.6 . . ?
C202 C203 H20E 108.6 . . ?
C204 C203 H20F 108.6 . . ?
C202 C203 H20F 108.6 . . ?
H20E C203 H20F 107.6 . . ?
C203 C204 H20G 109.5 . . ?
C203 C204 H20H 109.5 . . ?
H20G C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
H20G C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
N2 C205 C206 116(4) . . ?
N2 C205 H20J 108.2 . . ?
C206 C205 H20J 108.2 . . ?
N2 C205 H20K 108.2 . . ?
C206 C205 H20K 108.2 . . ?
H20J C205 H20K 107.3 . . ?
C205 C206 C207 108(6) . . ?
C205 C206 H20L 110.1 . . ?
C207 C206 H20L 110.1 . . ?
C205 C206 H20M 110.1 . . ?
C207 C206 H20M 110.1 . . ?
H20L C206 H20M 108.4 . . ?
C208 C207 C206 102.5(18) . . ?
C208 C207 H20N 111.3 . . ?
C206 C207 H20N 111.3 . . ?
C208 C207 H20O 111.3 . . ?
C206 C207 H20O 111.3 . . ?
H20N C207 H20O 109.2 . . ?
C207 C208 H20P 109.5 . . ?
C207 C208 H20Q 109.5 . . ?
H20P C208 H20Q 109.5 . . ?
C207 C208 H20R 109.5 . . ?
H20P C208 H20R 109.5 . . ?
H20Q C208 H20R 109.5 . . ?
N2 C209 C210 115(10) . . ?
N2 C209 H20S 108.6 . . ?
C210 C209 H20S 108.6 . . ?
N2 C209 H20T 108.6 . . ?
C210 C209 H20T 108.6 . . ?
H20S C209 H20T 107.6 . . ?
C209 C210 C211 125(7) . . ?
C209 C210 H21A 106.0 . . ?
C211 C210 H21A 106.0 . . ?
C209 C210 H21B 106.0 . . ?
C211 C210 H21B 106.0 . . ?
H21A C210 H21B 106.3 . . ?
C212 C211 C210 116(2) . . ?
C212 C211 H21C 108.2 . . ?
C210 C211 H21C 108.2 . . ?
C212 C211 H21D 108.2 . . ?
C210 C211 H21D 108.2 . . ?
H21C C211 H21D 107.3 . . ?
C211 C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
H21E C212 H21G 109.5 . . ?
H21F C212 H21G 109.5 . . ?
N301 C302 C303 172(10) . . ?
C302 C303 H30A 109.5 . . ?
C302 C303 H30B 109.5 . . ?
H30A C303 H30B 109.5 . . ?
C302 C303 H30C 109.5 . . ?
H30A C303 H30C 109.5 . . ?
H30B C303 H30C 109.5 . . ?

_refine_diff_density_max         5.642
_refine_diff_density_min         -2.750
_refine_diff_density_rms         0.664




####################################################################### 
# 
# 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_Ni227Pt1673
_database_code_depnum_ccdc_archive 'CCDC 2217072'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2023-01-29 deposited with the CCDC.	2023-02-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT342_Ni227Pt1673         
;
PROBLEM: Low Bond Precision on C-C Bonds
RESPONSE: The cluster anion does not contain C-C 
bonds. The Alert refers to the acetone solvent 
molecules and [NEt4]+ cations. Due to the presence 
of disorder and several heavy elements, it is not 
possible to obtain higher precision on the C-C bonds. 
;
_vrf_PLAT971_Ni227Pt1673         
;
PROBLEM: Check Calcd Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom, 
and they are due to absorption of the heavy atoms.
;
_vrf_PLAT972_Ni227Pt1673         
;
PROBLEM: Check Calcd Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom, 
and they are due to bsorption of the heavy atoms.
;
_vrf_PLAT974_Ni227Pt1673         
;
PROBLEM: Check Calcd Negative Resid. Density
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom, 
and they are due to bsorption of the heavy atoms.
;
# end Validation Reply Form   
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H92 N4 Ni2.23 O24 Pt16.77'
_chemical_formula_weight         4656.29

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   25.210(2)
_cell_length_b                   13.3089(11)
_cell_length_c                   26.112(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.662(3)
_cell_angle_gamma                90
_cell_volume                     8435.7(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9398
_cell_measurement_theta_min      2.531
_cell_measurement_theta_max      28.9195

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.666
_exptl_crystal_F_000             8170
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    28.236
_shelx_estimated_absorpt_T_min   0.075
_shelx_estimated_absorpt_T_max   0.147
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.0160
_exptl_absorpt_correction_T_max  0.0825
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1756 (selected reflections only, before parameter refinement)
 R(int) = 0.0929 (selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            47303
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_av_R_equivalents  0.0825
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.745
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_full        24.996
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             7357
_reflns_number_gt                5829
_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       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_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)+(0.0968P)²+809.3601P] 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         7357
_refine_ls_number_parameters     561
_refine_ls_number_restraints     382
_refine_ls_R_factor_all          0.1044
_refine_ls_R_factor_gt           0.0878
_refine_ls_wR_factor_ref         0.2307
_refine_ls_wR_factor_gt          0.2191
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_restrained_S_all      1.145
_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
Pt1 Pt 0.52107(4) 0.72474(8) 0.20923(4) 0.0440(3) Uani 1 1 d . . . . .
Pt2 Pt 0.55419(5) 0.57953(8) 0.28632(5) 0.0487(3) Uani 1 1 d . . . . .
Pt3 Pt 0.5000 0.90460(12) 0.2500 0.0493(4) Uani 1 2 d S T P . .
Pt4 Pt 0.58905(5) 0.78095(8) 0.30784(5) 0.0514(3) Uani 1 1 d . . . . .
Pt5 Pt 0.56480(5) 0.72493(9) 0.12823(5) 0.0516(3) Uani 1 1 d D . . . .
Pt6 Pt 0.50077(5) 0.56565(10) 0.36205(5) 0.0549(5) Uani 0.930(9) 1 d . . P . .
Ni6 Ni 0.50077(5) 0.56565(10) 0.36205(5) 0.0549(5) Uani 0.070(9) 1 d . . P . .
Pt7 Pt 0.62656(5) 0.79924(11) 0.22162(6) 0.0553(6) Uani 0.828(9) 1 d . . P . .
Ni7 Ni 0.62656(5) 0.79924(11) 0.22162(6) 0.0553(6) Uani 0.172(9) 1 d . . P . .
Pt8 Pt 0.46658(6) 0.90358(11) 0.33865(6) 0.0538(6) Uani 0.748(9) 1 d . . P . .
Ni8 Ni 0.46658(6) 0.90358(11) 0.33865(6) 0.0538(6) Uani 0.252(9) 1 d . . P . .
Pt9 Pt 0.54535(6) 0.75888(11) 0.39056(6) 0.0579(6) Uani 0.786(9) 1 d . . P . .
Ni9 Ni 0.54535(6) 0.75888(11) 0.39056(6) 0.0579(6) Uani 0.214(9) 1 d . . P . .
Pt10 Pt 0.60323(7) 0.59172(13) 0.20882(7) 0.0567(7) Uani 0.594(9) 1 d D . P . .
Ni10 Ni 0.60323(7) 0.59172(13) 0.20882(7) 0.0567(7) Uani 0.406(9) 1 d . . P . .
C1 C 0.5017(12) 1.011(2) 0.3037(13) 0.056(7) Uani 1 1 d . . . . .
C2 C 0.4478(16) 0.975(3) 0.3932(16) 0.074(9) Uani 1 1 d . U . . .
C3 C 0.5589(12) 0.770(2) 0.4639(14) 0.057(7) Uani 1 1 d . U . . .
C4 C 0.4824(14) 0.488(3) 0.4094(14) 0.067(8) Uani 1 1 d . U . . .
C5 C 0.5541(12) 0.475(2) 0.3383(11) 0.050(7) Uani 1 1 d . U . . .
C6 C 0.6249(11) 0.525(2) 0.2786(12) 0.049(7) Uani 1 1 d . . . . .
C7 C 0.6512(13) 0.541(3) 0.1766(14) 0.079(10) Uani 1 1 d D U . . .
C8 C 0.6038(13) 0.735(3) 0.0800(12) 0.073(9) Uani 1 1 d D U . . .
C9 C 0.6820(17) 0.851(3) 0.1925(15) 0.076(10) Uani 1 1 d . U . . .
C10 C 0.6618(15) 0.828(3) 0.3000(15) 0.072(9) Uani 1 1 d . . . . .
C11 C 0.6202(12) 0.796(2) 0.3855(14) 0.060(8) Uani 1 1 d . . . . .
O1 O 0.5151(10) 1.0918(16) 0.3150(9) 0.067(6) Uani 1 1 d . . . . .
O2 O 0.4341(12) 1.013(2) 0.4240(11) 0.086(8) Uani 1 1 d . . . . .
O3 O 0.5656(12) 0.770(2) 0.5068(11) 0.090(8) Uani 1 1 d . . . . .
O4 O 0.4700(13) 0.435(2) 0.4432(12) 0.093(9) Uani 1 1 d . . . . .
O5 O 0.5724(10) 0.3966(16) 0.3516(9) 0.063(5) Uani 1 1 d . . . . .
O6 O 0.6622(10) 0.4793(17) 0.3014(11) 0.077(7) Uani 1 1 d . . . . .
O7 O 0.6837(16) 0.516(4) 0.1561(16) 0.17(2) Uani 1 1 d D . . . .
O8 O 0.6345(12) 0.752(3) 0.0553(12) 0.105(9) Uani 1 1 d D U . . .
O9 O 0.7107(12) 0.886(3) 0.1744(13) 0.107(11) Uani 1 1 d . . . . .
O10 O 0.7036(9) 0.850(2) 0.3220(10) 0.080(7) Uani 1 1 d . . . . .
O11 O 0.6609(8) 0.8118(19) 0.4164(10) 0.070(6) Uani 1 1 d . . . . .
N1 N 0.7112(12) 0.487(2) 0.4720(12) 0.091(5) Uani 1 1 d D U . . .
C101 C 0.7441(16) 0.403(3) 0.4613(15) 0.094(7) Uani 1 1 d D U . . .
H10A H 0.7501 0.3564 0.4921 0.113 Uiso 1 1 calc R U . . .
H10B H 0.7806 0.4298 0.4613 0.113 Uiso 1 1 calc R U . . .
C102 C 0.7240(15) 0.339(3) 0.4109(14) 0.086(9) Uani 1 1 d D U . . .
H10C H 0.7511 0.2863 0.4106 0.129 Uiso 1 1 calc R U . . .
H10D H 0.6886 0.3078 0.4105 0.129 Uiso 1 1 calc DR U . . .
H10E H 0.7194 0.3817 0.3795 0.129 Uiso 1 1 calc R U . . .
C103 C 0.6626(12) 0.434(3) 0.4814(15) 0.095(7) Uani 1 1 d D U . . .
H10F H 0.6767 0.3822 0.5088 0.114 Uiso 1 1 calc DR U . . .
H10G H 0.6438 0.3990 0.4482 0.114 Uiso 1 1 calc DR U . . .
C104 C 0.6198(15) 0.494(3) 0.4987(18) 0.091(9) Uani 1 1 d D U . . .
H10H H 0.5907 0.4489 0.5033 0.136 Uiso 1 1 calc R U . . .
H10I H 0.6369 0.5277 0.5326 0.136 Uiso 1 1 calc R U . . .
H10J H 0.6038 0.5446 0.4716 0.136 Uiso 1 1 calc R U . . .
C105 C 0.6939(16) 0.553(3) 0.4257(16) 0.097(7) Uani 1 1 d D U . . .
H10K H 0.6702 0.6068 0.4338 0.117 Uiso 1 1 calc R U . . .
H10L H 0.6713 0.5137 0.3955 0.117 Uiso 1 1 calc R U . . .
C106 C 0.7409(18) 0.602(4) 0.408(2) 0.113(11) Uani 1 1 d D U . . .
H10M H 0.7257 0.6449 0.3773 0.169 Uiso 1 1 calc R U . . .
H10N H 0.7630 0.6433 0.4376 0.169 Uiso 1 1 calc R U . . .
H10O H 0.7641 0.5500 0.3992 0.169 Uiso 1 1 calc R U . . .
C107 C 0.7381(19) 0.546(3) 0.5188(13) 0.097(7) Uani 1 1 d D U . . .
H10P H 0.7113 0.5942 0.5263 0.117 Uiso 1 1 calc R U . . .
H10Q H 0.7685 0.5852 0.5111 0.117 Uiso 1 1 calc R U . . .
C108 C 0.7615(19) 0.481(3) 0.5683(14) 0.114(11) Uani 1 1 d D U . . .
H10R H 0.7791 0.5248 0.5984 0.171 Uiso 1 1 calc R U . . .
H10S H 0.7316 0.4435 0.5767 0.171 Uiso 1 1 calc DR U . . .
H10T H 0.7888 0.4345 0.5615 0.171 Uiso 1 1 calc R U . . .
N2 N 0.3539(10) 0.1967(18) 0.2719(9) 0.067(6) Uani 1 1 d D U . . .
C201 C 0.368(2) 0.110(3) 0.2421(17) 0.069(11) Uani 0.64(2) 1 d D U P A 1
H20A H 0.3545 0.0488 0.2559 0.082 Uiso 0.64(2) 1 calc R U P A 1
H20B H 0.4087 0.1054 0.2518 0.082 Uiso 0.64(2) 1 calc R U P A 1
C202 C 0.348(2) 0.105(5) 0.1815(17) 0.077(15) Uani 0.64(2) 1 d D U P A 1
H20C H 0.3612 0.0432 0.1690 0.116 Uiso 0.64(2) 1 calc R U P A 1
H20D H 0.3076 0.1062 0.1704 0.116 Uiso 0.64(2) 1 calc R U P A 1
H20E H 0.3622 0.1633 0.1662 0.116 Uiso 0.64(2) 1 calc R U P A 1
C203 C 0.3785(19) 0.168(3) 0.3273(11) 0.060(9) Uani 0.64(2) 1 d D U P A 1
H20F H 0.4185 0.1572 0.3329 0.072 Uiso 0.64(2) 1 calc R U P A 1
H20G H 0.3620 0.1041 0.3347 0.072 Uiso 0.64(2) 1 calc R U P A 1
C204 C 0.370(2) 0.248(4) 0.367(2) 0.074(14) Uani 0.64(2) 1 d D U P A 1
H20H H 0.3872 0.2252 0.4029 0.111 Uiso 0.64(2) 1 calc R U P A 1
H20I H 0.3869 0.3111 0.3600 0.111 Uiso 0.64(2) 1 calc R U P A 1
H20J H 0.3304 0.2580 0.3618 0.111 Uiso 0.64(2) 1 calc R U P A 1
C205 C 0.3781(15) 0.282(3) 0.251(2) 0.071(10) Uani 0.64(2) 1 d D U P A 1
H20K H 0.3627 0.3449 0.2617 0.085 Uiso 0.64(2) 1 calc R U P A 1
H20L H 0.3660 0.2792 0.2115 0.085 Uiso 0.64(2) 1 calc R U P A 1
C206 C 0.4411(15) 0.291(4) 0.268(2) 0.062(12) Uani 0.64(2) 1 d D U P A 1
H20M H 0.4526 0.3502 0.2518 0.094 Uiso 0.64(2) 1 calc R U P A 1
H20N H 0.4538 0.2964 0.3069 0.094 Uiso 0.64(2) 1 calc R U P A 1
H20O H 0.4572 0.2304 0.2566 0.094 Uiso 0.64(2) 1 calc R U P A 1
C207 C 0.2943(12) 0.211(4) 0.258(2) 0.072(10) Uani 0.64(2) 1 d D U P A 1
H20P H 0.2811 0.2316 0.2206 0.086 Uiso 0.64(2) 1 calc R U P A 1
H20Q H 0.2857 0.2656 0.2804 0.086 Uiso 0.64(2) 1 calc R U P A 1
C208 C 0.263(2) 0.116(4) 0.267(3) 0.082(18) Uani 0.64(2) 1 d D U P A 1
H20R H 0.2237 0.1303 0.2569 0.123 Uiso 0.64(2) 1 calc R U P A 1
H20S H 0.2709 0.0621 0.2442 0.123 Uiso 0.64(2) 1 calc R U P A 1
H20T H 0.2756 0.0962 0.3041 0.123 Uiso 0.64(2) 1 calc R U P A 1
C211 C 0.335(4) 0.220(6) 0.2150(14) 0.066(12) Uani 0.36(2) 1 d D U P A 2
H21A H 0.3507 0.2833 0.2050 0.080 Uiso 0.36(2) 1 calc R U P A 2
H21B H 0.2951 0.2167 0.1997 0.080 Uiso 0.36(2) 1 calc R U P A 2
C212 C 0.366(5) 0.126(8) 0.206(6) 0.08(2) Uani 0.36(2) 1 d D U P A 2
H21C H 0.3620 0.1173 0.1677 0.127 Uiso 0.36(2) 1 calc R U P A 2
H21D H 0.4053 0.1321 0.2246 0.127 Uiso 0.36(2) 1 calc R U P A 2
H21E H 0.3508 0.0669 0.2194 0.127 Uiso 0.36(2) 1 calc R U P A 2
C213 C 0.328(4) 0.275(4) 0.297(3) 0.077(12) Uani 0.36(2) 1 d D U P A 2
H21F H 0.2878 0.2597 0.2839 0.092 Uiso 0.36(2) 1 calc R U P A 2
H21G H 0.3332 0.3372 0.2789 0.092 Uiso 0.36(2) 1 calc R U P A 2
C214 C 0.334(4) 0.310(7) 0.355(3) 0.08(2) Uani 0.36(2) 1 d D U P A 2
H21H H 0.3079 0.3652 0.3545 0.117 Uiso 0.36(2) 1 calc R U P A 2
H21I H 0.3252 0.2539 0.3756 0.117 Uiso 0.36(2) 1 calc R U P A 2
H21J H 0.3714 0.3328 0.3705 0.117 Uiso 0.36(2) 1 calc R U P A 2
C215 C 0.407(2) 0.209(6) 0.311(3) 0.069(13) Uani 0.36(2) 1 d D U P A 2
H21K H 0.4308 0.1499 0.3096 0.083 Uiso 0.36(2) 1 calc R U P A 2
H21L H 0.4018 0.2115 0.3472 0.083 Uiso 0.36(2) 1 calc R U P A 2
C216 C 0.438(4) 0.305(6) 0.302(4) 0.067(19) Uani 0.36(2) 1 d D U P A 2
H21M H 0.4733 0.3090 0.3295 0.101 Uiso 0.36(2) 1 calc R U P A 2
H21N H 0.4445 0.3021 0.2670 0.101 Uiso 0.36(2) 1 calc R U P A 2
H21O H 0.4155 0.3637 0.3046 0.101 Uiso 0.36(2) 1 calc R U P A 2
C217 C 0.331(3) 0.117(4) 0.299(3) 0.073(12) Uani 0.36(2) 1 d D U P A 2
H21P H 0.3353 0.1395 0.3355 0.088 Uiso 0.36(2) 1 calc R U P A 2
H21Q H 0.3560 0.0578 0.3009 0.088 Uiso 0.36(2) 1 calc R U P A 2
C218 C 0.273(3) 0.078(9) 0.278(5) 0.08(2) Uani 0.36(2) 1 d D U P A 2
H21R H 0.2660 0.0245 0.3013 0.116 Uiso 0.36(2) 1 calc R U P A 2
H21S H 0.2465 0.1327 0.2766 0.116 Uiso 0.36(2) 1 calc R U P A 2
H21T H 0.2674 0.0504 0.2418 0.116 Uiso 0.36(2) 1 calc R U P A 2
O301 O 0.6402(9) 0.173(2) 0.4442(11) 0.082(7) Uani 1 1 d D U . . .
C301 C 0.5950(9) 0.1435(19) 0.4449(11) 0.061(8) Uani 1 1 d D U . . .
C302 C 0.5446(11) 0.209(3) 0.4353(14) 0.068(9) Uani 1 1 d D U . . .
H30A H 0.5130 0.1681 0.4379 0.101 Uiso 1 1 calc R U . . .
H30B H 0.5510 0.2625 0.4619 0.101 Uiso 1 1 calc R U . . .
H30C H 0.5369 0.2384 0.3996 0.101 Uiso 1 1 calc R U . . .
C303 C 0.5894(19) 0.033(2) 0.4521(16) 0.087(11) Uani 1 1 d D U . . .
H30D H 0.5514 0.0170 0.4521 0.131 Uiso 1 1 calc R U . . .
H30E H 0.5986 -0.0033 0.4229 0.131 Uiso 1 1 calc R U . . .
H30F H 0.6146 0.0117 0.4860 0.131 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Pt1 2.624(2) 2_655 ?
Pt1 Pt5 2.6359(15) . ?
Pt1 Pt10 2.727(2) . ?
Pt1 Ni9 2.7282(18) 2_655 ?
Pt1 Pt9 2.7282(18) 2_655 ?
Pt1 Pt3 2.7297(17) . ?
Pt1 Pt2 2.7326(15) 2_655 ?
Pt1 Ni8 2.7450(18) 2_655 ?
Pt1 Pt8 2.7450(18) 2_655 ?
Pt1 Pt2 2.7526(15) . ?
Pt1 Ni6 2.7742(17) 2_655 ?
Pt2 C5 1.94(3) . ?
Pt2 C6 1.98(3) . ?
Pt2 Pt10 2.646(2) . ?
Pt2 Pt6 2.6826(18) . ?
Pt2 Pt1 2.7325(15) 2_655 ?
Pt2 Pt4 2.8297(16) . ?
Pt2 Pt2 2.875(2) 2_655 ?
Pt3 C1 1.99(3) . ?
Pt3 C1 1.99(3) 2_655 ?
Pt3 Ni8 2.6684(15) 2_655 ?
Pt3 Pt8 2.6684(15) 2_655 ?
Pt3 Pt8 2.6686(15) . ?
Pt3 Pt1 2.7296(17) 2_655 ?
Pt3 Pt4 2.8632(14) . ?
Pt3 Pt4 2.8633(14) 2_655 ?
Pt4 C11 1.98(4) . ?
Pt4 C10 2.00(4) . ?
Pt4 Pt7 2.6780(19) . ?
Pt4 Pt9 2.693(2) . ?
Pt4 Pt1 2.7922(15) 2_655 ?
Pt5 C8 1.799(17) . ?
Pt5 Pt7 2.7018(18) . ?
Pt5 Ni8 2.7197(19) 2_655 ?
Pt5 Pt8 2.7197(19) 2_655 ?
Pt5 Pt10 2.722(2) . ?
Pt5 Ni9 2.7240(19) 2_655 ?
Pt5 Pt9 2.7240(19) 2_655 ?
Pt5 Ni6 2.7416(18) 2_655 ?
Pt5 Pt6 2.7416(18) 2_655 ?
Pt6 C4 1.76(4) . ?
Pt6 C5 2.02(3) . ?
Pt6 Pt5 2.7416(18) 2_655 ?
Pt6 Pt1 2.7743(17) 2_655 ?
Pt6 Ni10 2.793(2) 2_655 ?
Pt6 Pt10 2.793(2) 2_655 ?
Pt6 Pt9 2.8247(19) . ?
Pt7 C9 1.90(4) . ?
Pt7 C10 2.04(4) . ?
Pt7 Ni8 2.8149(19) 2_655 ?
Pt7 Pt8 2.8149(19) 2_655 ?
Pt7 Pt10 2.825(2) . ?
Pt8 C2 1.87(4) . ?
Pt8 C1 2.02(3) . ?
Pt8 Pt5 2.7197(19) 2_655 ?
Pt8 Pt1 2.7451(18) 2_655 ?
Pt8 Ni7 2.8150(19) 2_655 ?
Pt8 Pt7 2.8150(19) 2_655 ?
Pt8 Pt9 2.835(2) . ?
Pt9 C3 1.86(4) . ?
Pt9 C11 1.99(3) . ?
Pt9 Pt5 2.7239(19) 2_655 ?
Pt9 Pt1 2.7282(18) 2_655 ?
Pt10 C7 1.783(18) . ?
Pt10 C6 1.97(3) . ?
Pt10 Ni6 2.793(2) 2_655 ?
Pt10 Pt6 2.793(2) 2_655 ?
C1 O1 1.14(3) . ?
C2 O2 1.09(4) . ?
C3 O3 1.09(4) . ?
C4 O4 1.23(4) . ?
C5 O5 1.16(3) . ?
C6 O6 1.14(3) . ?
C7 O7 1.141(18) . ?
C8 O8 1.154(18) . ?
C9 O9 1.07(4) . ?
C10 O10 1.09(4) . ?
C11 O11 1.14(4) . ?
N1 C107 1.456(19) . ?
N1 C105 1.461(19) . ?
N1 C101 1.468(19) . ?
N1 C103 1.488(19) . ?
C101 C102 1.533(19) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C103 C104 1.505(19) . ?
C103 H10F 0.9900 . ?
C103 H10G 0.9900 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C105 C106 1.52(2) . ?
C105 H10K 0.9900 . ?
C105 H10L 0.9900 . ?
C106 H10M 0.9800 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C107 C108 1.53(2) . ?
C107 H10P 0.9900 . ?
C107 H10Q 0.9900 . ?
C108 H10R 0.9800 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
N2 C207 1.46(2) . ?
N2 C203 1.462(19) . ?
N2 C211 1.46(2) . ?
N2 C205 1.47(2) . ?
N2 C215 1.47(2) . ?
N2 C217 1.47(2) . ?
N2 C213 1.48(2) . ?
N2 C201 1.49(2) . ?
C201 C202 1.53(2) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C203 C204 1.53(2) . ?
C203 H20F 0.9900 . ?
C203 H20G 0.9900 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C204 H20J 0.9800 . ?
C205 C206 1.53(2) . ?
C205 H20K 0.9900 . ?
C205 H20L 0.9900 . ?
C206 H20M 0.9800 . ?
C206 H20N 0.9800 . ?
C206 H20O 0.9800 . ?
C207 C208 1.52(2) . ?
C207 H20P 0.9900 . ?
C207 H20Q 0.9900 . ?
C208 H20R 0.9800 . ?
C208 H20S 0.9800 . ?
C208 H20T 0.9800 . ?
C211 C212 1.53(2) . ?
C211 H21A 0.9900 . ?
C211 H21B 0.9900 . ?
C212 H21C 0.9800 . ?
C212 H21D 0.9800 . ?
C212 H21E 0.9800 . ?
C213 C214 1.54(2) . ?
C213 H21F 0.9900 . ?
C213 H21G 0.9900 . ?
C214 H21H 0.9800 . ?
C214 H21I 0.9800 . ?
C214 H21J 0.9800 . ?
C215 C216 1.53(2) . ?
C215 H21K 0.9900 . ?
C215 H21L 0.9900 . ?
C216 H21M 0.9800 . ?
C216 H21N 0.9800 . ?
C216 H21O 0.9800 . ?
C217 C218 1.52(2) . ?
C217 H21P 0.9900 . ?
C217 H21Q 0.9900 . ?
C218 H21R 0.9800 . ?
C218 H21S 0.9800 . ?
C218 H21T 0.9800 . ?
O301 C301 1.210(18) . ?
C301 C303 1.499(19) . ?
C301 C302 1.504(19) . ?
C302 H30A 0.9800 . ?
C302 H30B 0.9800 . ?
C302 H30C 0.9800 . ?
C303 H30D 0.9800 . ?
C303 H30E 0.9800 . ?
C303 H30F 0.9800 . ?

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
Pt1 Pt1 Pt5 179.19(7) 2_655 . ?
Pt1 Pt1 Pt10 118.52(6) 2_655 . ?
Pt5 Pt1 Pt10 60.98(5) . . ?
Pt1 Pt1 Ni9 119.77(7) 2_655 2_655 ?
Pt5 Pt1 Ni9 61.01(5) . 2_655 ?
Pt10 Pt1 Ni9 112.05(6) . 2_655 ?
Pt1 Pt1 Pt9 119.77(7) 2_655 2_655 ?
Pt5 Pt1 Pt9 61.01(5) . 2_655 ?
Pt10 Pt1 Pt9 112.05(6) . 2_655 ?
Ni9 Pt1 Pt9 0.0 2_655 2_655 ?
Pt1 Pt1 Pt3 61.28(3) 2_655 . ?
Pt5 Pt1 Pt3 118.67(5) . . ?
Pt10 Pt1 Pt3 143.02(5) . . ?
Ni9 Pt1 Pt3 95.31(5) 2_655 . ?
Pt9 Pt1 Pt3 95.31(5) 2_655 . ?
Pt1 Pt1 Pt2 61.81(4) 2_655 2_655 ?
Pt5 Pt1 Pt2 118.72(5) . 2_655 ?
Pt10 Pt1 Pt2 94.47(6) . 2_655 ?
Ni9 Pt1 Pt2 84.51(5) 2_655 2_655 ?
Pt9 Pt1 Pt2 84.51(5) 2_655 2_655 ?
Pt3 Pt1 Pt2 113.15(5) . 2_655 ?
Pt1 Pt1 Ni8 119.35(4) 2_655 2_655 ?
Pt5 Pt1 Ni8 60.68(5) . 2_655 ?
Pt10 Pt1 Ni8 112.43(6) . 2_655 ?
Ni9 Pt1 Ni8 62.39(5) 2_655 2_655 ?
Pt9 Pt1 Ni8 62.39(5) 2_655 2_655 ?
Pt3 Pt1 Ni8 58.34(4) . 2_655 ?
Pt2 Pt1 Ni8 142.94(5) 2_655 2_655 ?
Pt1 Pt1 Pt8 119.35(4) 2_655 2_655 ?
Pt5 Pt1 Pt8 60.68(5) . 2_655 ?
Pt10 Pt1 Pt8 112.43(6) . 2_655 ?
Ni9 Pt1 Pt8 62.39(5) 2_655 2_655 ?
Pt9 Pt1 Pt8 62.39(5) 2_655 2_655 ?
Pt3 Pt1 Pt8 58.34(4) . 2_655 ?
Pt2 Pt1 Pt8 142.94(5) 2_655 2_655 ?
Ni8 Pt1 Pt8 0.0 2_655 2_655 ?
Pt1 Pt1 Pt2 61.04(4) 2_655 . ?
Pt5 Pt1 Pt2 118.52(5) . . ?
Pt10 Pt1 Pt2 57.74(5) . . ?
Ni9 Pt1 Pt2 143.34(6) 2_655 . ?
Pt9 Pt1 Pt2 143.34(6) 2_655 . ?
Pt3 Pt1 Pt2 112.52(5) . . ?
Pt2 Pt1 Pt2 63.22(5) 2_655 . ?
Ni8 Pt1 Pt2 153.19(6) 2_655 . ?
Pt8 Pt1 Pt2 153.19(6) 2_655 . ?
Pt1 Pt1 Ni6 119.60(4) 2_655 2_655 ?
Pt5 Pt1 Ni6 60.83(4) . 2_655 ?
Pt10 Pt1 Ni6 61.00(5) . 2_655 ?
Ni9 Pt1 Ni6 61.77(5) 2_655 2_655 ?
Pt9 Pt1 Ni6 61.77(5) 2_655 2_655 ?
Pt3 Pt1 Ni6 155.05(5) . 2_655 ?
Pt2 Pt1 Ni6 58.30(4) 2_655 2_655 ?
Ni8 Pt1 Ni6 112.50(5) 2_655 2_655 ?
Pt8 Pt1 Ni6 112.50(5) 2_655 2_655 ?
Pt2 Pt1 Ni6 85.46(5) . 2_655 ?
C5 Pt2 C6 88.8(12) . . ?
C5 Pt2 Pt10 131.9(9) . . ?
C6 Pt2 Pt10 47.7(9) . . ?
C5 Pt2 Pt6 48.7(9) . . ?
C6 Pt2 Pt6 133.9(9) . . ?
Pt10 Pt2 Pt6 177.77(6) . . ?
C5 Pt2 Pt1 110.1(9) . 2_655 ?
C6 Pt2 Pt1 156.4(7) . 2_655 ?
Pt10 Pt2 Pt1 117.54(6) . 2_655 ?
Pt6 Pt2 Pt1 61.63(4) . 2_655 ?
C5 Pt2 Pt1 162.9(8) . . ?
C6 Pt2 Pt1 106.7(8) . . ?
Pt10 Pt2 Pt1 60.65(5) . . ?
Pt6 Pt2 Pt1 118.29(5) . . ?
Pt1 Pt2 Pt1 57.15(5) 2_655 . ?
C5 Pt2 Pt4 126.7(9) . . ?
C6 Pt2 Pt4 97.4(7) . . ?
Pt10 Pt2 Pt4 84.82(6) . . ?
Pt6 Pt2 Pt4 96.29(5) . . ?
Pt1 Pt2 Pt4 60.23(4) 2_655 . ?
Pt1 Pt2 Pt4 59.79(4) . . ?
C5 Pt2 Pt2 106.3(8) . 2_655 ?
C6 Pt2 Pt2 130.7(9) . 2_655 ?
Pt10 Pt2 Pt2 93.01(6) . 2_655 ?
Pt6 Pt2 Pt2 84.80(6) . 2_655 ?
Pt1 Pt2 Pt2 58.73(4) 2_655 2_655 ?
Pt1 Pt2 Pt2 58.05(4) . 2_655 ?
Pt4 Pt2 Pt2 108.66(3) . 2_655 ?
C1 Pt3 C1 89.0(19) . 2_655 ?
C1 Pt3 Ni8 131.6(10) . 2_655 ?
C1 Pt3 Ni8 48.9(10) 2_655 2_655 ?
C1 Pt3 Pt8 131.6(10) . 2_655 ?
C1 Pt3 Pt8 48.9(10) 2_655 2_655 ?
Ni8 Pt3 Pt8 0.0 2_655 2_655 ?
C1 Pt3 Pt8 48.9(10) . . ?
C1 Pt3 Pt8 131.6(10) 2_655 . ?
Ni8 Pt3 Pt8 179.4 2_655 . ?
Pt8 Pt3 Pt8 179.42(9) 2_655 . ?
C1 Pt3 Pt1 108.6(10) . 2_655 ?
C1 Pt3 Pt1 158.7(9) 2_655 2_655 ?
Ni8 Pt3 Pt1 118.30(6) 2_655 2_655 ?
Pt8 Pt3 Pt1 118.30(6) 2_655 2_655 ?
Pt8 Pt3 Pt1 61.12(4) . 2_655 ?
C1 Pt3 Pt1 158.7(9) . . ?
C1 Pt3 Pt1 108.6(10) 2_655 . ?
Ni8 Pt3 Pt1 61.12(4) 2_655 . ?
Pt8 Pt3 Pt1 61.12(4) 2_655 . ?
Pt8 Pt3 Pt1 118.30(6) . . ?
Pt1 Pt3 Pt1 57.44(5) 2_655 . ?
C1 Pt3 Pt4 99.9(9) . . ?
C1 Pt3 Pt4 130.3(9) 2_655 . ?
Ni8 Pt3 Pt4 93.93(4) 2_655 . ?
Pt8 Pt3 Pt4 93.93(4) 2_655 . ?
Pt8 Pt3 Pt4 85.74(4) . . ?
Pt1 Pt3 Pt4 59.84(4) 2_655 . ?
Pt1 Pt3 Pt4 59.62(4) . . ?
C1 Pt3 Pt4 130.3(9) . 2_655 ?
C1 Pt3 Pt4 100.0(9) 2_655 2_655 ?
Ni8 Pt3 Pt4 85.74(4) 2_655 2_655 ?
Pt8 Pt3 Pt4 85.74(4) 2_655 2_655 ?
Pt8 Pt3 Pt4 93.92(4) . 2_655 ?
Pt1 Pt3 Pt4 59.62(4) 2_655 2_655 ?
Pt1 Pt3 Pt4 59.84(4) . 2_655 ?
Pt4 Pt3 Pt4 109.84(7) . 2_655 ?
C11 Pt4 C10 87.2(14) . . ?
C11 Pt4 Pt7 136.1(9) . . ?
C10 Pt4 Pt7 49.0(11) . . ?
C11 Pt4 Pt9 47.5(9) . . ?
C10 Pt4 Pt9 134.5(11) . . ?
Pt7 Pt4 Pt9 176.47(6) . . ?
C11 Pt4 Pt1 162.0(9) . . ?
C10 Pt4 Pt1 110.0(11) . . ?
Pt7 Pt4 Pt1 61.03(4) . . ?
Pt9 Pt4 Pt1 115.45(5) . . ?
C11 Pt4 Pt1 107.1(9) . 2_655 ?
C10 Pt4 Pt1 165.2(10) . 2_655 ?
Pt7 Pt4 Pt1 116.85(5) . 2_655 ?
Pt9 Pt4 Pt1 59.63(4) . 2_655 ?
Pt1 Pt4 Pt1 56.14(4) . 2_655 ?
C11 Pt4 Pt2 108.4(10) . . ?
C10 Pt4 Pt2 121.5(12) . . ?
Pt7 Pt4 Pt2 94.61(5) . . ?
Pt9 Pt4 Pt2 83.31(5) . . ?
Pt1 Pt4 Pt2 58.73(4) . . ?
Pt1 Pt4 Pt2 58.16(4) 2_655 . ?
C11 Pt4 Pt3 121.4(9) . . ?
C10 Pt4 Pt3 112.0(10) . . ?
Pt7 Pt4 Pt3 84.77(4) . . ?
Pt9 Pt4 Pt3 93.07(5) . . ?
Pt1 Pt4 Pt3 57.80(4) . . ?
Pt1 Pt4 Pt3 57.70(4) 2_655 . ?
Pt2 Pt4 Pt3 106.41(5) . . ?
C8 Pt5 Pt1 170.8(12) . . ?
C8 Pt5 Pt7 108.2(12) . . ?
Pt1 Pt5 Pt7 62.62(5) . . ?
C8 Pt5 Ni8 114.6(12) . 2_655 ?
Pt1 Pt5 Ni8 61.64(5) . 2_655 ?
Pt7 Pt5 Ni8 62.56(5) . 2_655 ?
C8 Pt5 Pt8 114.6(12) . 2_655 ?
Pt1 Pt5 Pt8 61.64(5) . 2_655 ?
Pt7 Pt5 Pt8 62.56(5) . 2_655 ?
Ni8 Pt5 Pt8 0.0 2_655 2_655 ?
C8 Pt5 Pt10 116.3(12) . . ?
Pt1 Pt5 Pt10 61.17(5) . . ?
Pt7 Pt5 Pt10 62.77(5) . . ?
Ni8 Pt5 Pt10 113.39(6) 2_655 . ?
Pt8 Pt5 Pt10 113.39(6) 2_655 . ?
C8 Pt5 Ni9 125.7(12) . 2_655 ?
Pt1 Pt5 Ni9 61.17(5) . 2_655 ?
Pt7 Pt5 Ni9 114.39(6) . 2_655 ?
Ni8 Pt5 Ni9 62.76(5) 2_655 2_655 ?
Pt8 Pt5 Ni9 62.76(5) 2_655 2_655 ?
Pt10 Pt5 Ni9 112.33(6) . 2_655 ?
C8 Pt5 Pt9 125.7(12) . 2_655 ?
Pt1 Pt5 Pt9 61.17(5) . 2_655 ?
Pt7 Pt5 Pt9 114.39(6) . 2_655 ?
Ni8 Pt5 Pt9 62.76(5) 2_655 2_655 ?
Pt8 Pt5 Pt9 62.76(5) 2_655 2_655 ?
Pt10 Pt5 Pt9 112.33(6) . 2_655 ?
Ni9 Pt5 Pt9 0.0 2_655 2_655 ?
C8 Pt5 Ni6 125.6(12) . 2_655 ?
Pt1 Pt5 Ni6 62.08(4) . 2_655 ?
Pt7 Pt5 Ni6 114.48(6) . 2_655 ?
Ni8 Pt5 Ni6 114.34(6) 2_655 2_655 ?
Pt8 Pt5 Ni6 114.34(6) 2_655 2_655 ?
Pt10 Pt5 Ni6 61.47(5) . 2_655 ?
Ni9 Pt5 Ni6 62.24(5) 2_655 2_655 ?
Pt9 Pt5 Ni6 62.24(5) 2_655 2_655 ?
C8 Pt5 Pt6 125.6(12) . 2_655 ?
Pt1 Pt5 Pt6 62.08(4) . 2_655 ?
Pt7 Pt5 Pt6 114.48(6) . 2_655 ?
Ni8 Pt5 Pt6 114.34(6) 2_655 2_655 ?
Pt8 Pt5 Pt6 114.34(6) 2_655 2_655 ?
Pt10 Pt5 Pt6 61.47(5) . 2_655 ?
Ni9 Pt5 Pt6 62.24(5) 2_655 2_655 ?
Pt9 Pt5 Pt6 62.24(5) 2_655 2_655 ?
Ni6 Pt5 Pt6 0.0 2_655 2_655 ?
C4 Pt6 C5 100.9(13) . . ?
C4 Pt6 Pt2 146.7(11) . . ?
C5 Pt6 Pt2 46.2(8) . . ?
C4 Pt6 Pt5 96.2(11) . 2_655 ?
C5 Pt6 Pt5 162.9(8) . 2_655 ?
Pt2 Pt6 Pt5 116.76(6) . 2_655 ?
C4 Pt6 Pt1 150.9(11) . 2_655 ?
C5 Pt6 Pt1 106.1(8) . 2_655 ?
Pt2 Pt6 Pt1 60.07(4) . 2_655 ?
Pt5 Pt6 Pt1 57.09(4) 2_655 2_655 ?
C4 Pt6 Ni10 99.2(11) . 2_655 ?
C5 Pt6 Ni10 117.0(8) . 2_655 ?
Pt2 Pt6 Ni10 94.09(6) . 2_655 ?
Pt5 Pt6 Ni10 58.92(5) 2_655 2_655 ?
Pt1 Pt6 Ni10 58.66(5) 2_655 2_655 ?
C4 Pt6 Pt10 99.2(11) . 2_655 ?
C5 Pt6 Pt10 117.0(8) . 2_655 ?
Pt2 Pt6 Pt10 94.09(6) . 2_655 ?
Pt5 Pt6 Pt10 58.92(5) 2_655 2_655 ?
Pt1 Pt6 Pt10 58.66(5) 2_655 2_655 ?
Ni10 Pt6 Pt10 0.0 2_655 2_655 ?
C4 Pt6 Pt9 120.5(11) . . ?
C5 Pt6 Pt9 111.9(8) . . ?
Pt2 Pt6 Pt9 83.59(5) . . ?
Pt5 Pt6 Pt9 58.57(5) 2_655 . ?
Pt1 Pt6 Pt9 58.31(5) 2_655 . ?
Ni10 Pt6 Pt9 107.28(6) 2_655 . ?
Pt10 Pt6 Pt9 107.28(6) 2_655 . ?
C9 Pt7 C10 99.5(16) . . ?
C9 Pt7 Pt4 146.9(12) . . ?
C10 Pt7 Pt4 47.9(11) . . ?
C9 Pt7 Pt5 94.5(12) . . ?
C10 Pt7 Pt5 164.9(11) . . ?
Pt4 Pt7 Pt5 118.51(6) . . ?
C9 Pt7 Pt1 150.7(11) . . ?
C10 Pt7 Pt1 109.2(11) . . ?
Pt4 Pt7 Pt1 61.35(4) . . ?
Pt5 Pt7 Pt1 57.53(4) . . ?
C9 Pt7 Ni8 100.9(12) . 2_655 ?
C10 Pt7 Ni8 122.6(11) . 2_655 ?
Pt4 Pt7 Ni8 94.83(6) . 2_655 ?
Pt5 Pt7 Ni8 59.03(5) . 2_655 ?
Pt1 Pt7 Ni8 58.82(5) . 2_655 ?
C9 Pt7 Pt8 100.9(12) . 2_655 ?
C10 Pt7 Pt8 122.6(11) . 2_655 ?
Pt4 Pt7 Pt8 94.83(6) . 2_655 ?
Pt5 Pt7 Pt8 59.03(5) . 2_655 ?
Pt1 Pt7 Pt8 58.82(5) . 2_655 ?
Ni8 Pt7 Pt8 0.0 2_655 2_655 ?
C9 Pt7 Pt10 117.6(12) . . ?
C10 Pt7 Pt10 109.0(11) . . ?
Pt4 Pt7 Pt10 84.32(6) . . ?
Pt5 Pt7 Pt10 58.96(5) . . ?
Pt1 Pt7 Pt10 58.28(5) . . ?
Ni8 Pt7 Pt10 107.49(6) 2_655 . ?
Pt8 Pt7 Pt10 107.49(6) 2_655 . ?
C2 Pt8 C1 102.5(15) . . ?
C2 Pt8 Pt3 149.4(12) . . ?
C1 Pt8 Pt3 47.7(9) . . ?
C2 Pt8 Pt5 92.5(12) . 2_655 ?
C1 Pt8 Pt5 164.0(9) . 2_655 ?
Pt3 Pt8 Pt5 117.86(6) . 2_655 ?
C2 Pt8 Pt1 150.1(12) . 2_655 ?
C1 Pt8 Pt1 106.9(9) . 2_655 ?
Pt3 Pt8 Pt1 60.54(5) . 2_655 ?
Pt5 Pt8 Pt1 57.68(4) 2_655 2_655 ?
C2 Pt8 Ni7 109.3(12) . 2_655 ?
C1 Pt8 Ni7 119.8(9) . 2_655 ?
Pt3 Pt8 Ni7 85.90(5) . 2_655 ?
Pt5 Pt8 Ni7 58.41(5) 2_655 2_655 ?
Pt1 Pt8 Ni7 59.85(5) 2_655 2_655 ?
C2 Pt8 Pt7 109.3(12) . 2_655 ?
C1 Pt8 Pt7 119.8(9) . 2_655 ?
Pt3 Pt8 Pt7 85.90(5) . 2_655 ?
Pt5 Pt8 Pt7 58.41(5) 2_655 2_655 ?
Pt1 Pt8 Pt7 59.85(5) 2_655 2_655 ?
Ni7 Pt8 Pt7 0.0 2_655 2_655 ?
C2 Pt8 Pt9 105.5(12) . . ?
C1 Pt8 Pt9 111.1(9) . . ?
Pt3 Pt8 Pt9 94.23(6) . . ?
Pt5 Pt8 Pt9 58.69(5) 2_655 . ?
Pt1 Pt8 Pt9 58.51(5) 2_655 . ?
Ni7 Pt8 Pt9 107.64(6) 2_655 . ?
Pt7 Pt8 Pt9 107.64(6) 2_655 . ?
C3 Pt9 C11 97.7(14) . . ?
C3 Pt9 Pt4 144.8(9) . . ?
C11 Pt9 Pt4 47.0(10) . . ?
C3 Pt9 Pt5 95.4(9) . 2_655 ?
C11 Pt9 Pt5 165.6(10) . 2_655 ?
Pt4 Pt9 Pt5 119.45(6) . 2_655 ?
C3 Pt9 Pt1 153.2(9) . 2_655 ?
C11 Pt9 Pt1 109.1(10) . 2_655 ?
Pt4 Pt9 Pt1 62.00(5) . 2_655 ?
Pt5 Pt9 Pt1 57.82(4) 2_655 2_655 ?
C3 Pt9 Pt6 107.1(10) . . ?
C11 Pt9 Pt6 121.7(10) . . ?
Pt4 Pt9 Pt6 96.19(6) . . ?
Pt5 Pt9 Pt6 59.19(5) 2_655 . ?
Pt1 Pt9 Pt6 59.92(5) 2_655 . ?
C3 Pt9 Pt8 110.4(10) . . ?
C11 Pt9 Pt8 110.8(10) . . ?
Pt4 Pt9 Pt8 85.86(6) . . ?
Pt5 Pt9 Pt8 58.54(5) 2_655 . ?
Pt1 Pt9 Pt8 59.10(5) 2_655 . ?
Pt6 Pt9 Pt8 108.36(6) . . ?
C7 Pt10 C6 102.2(15) . . ?
C7 Pt10 Pt2 148.7(13) . . ?
C6 Pt10 Pt2 48.3(8) . . ?
C7 Pt10 Pt5 91.6(13) . . ?
C6 Pt10 Pt5 164.2(8) . . ?
Pt2 Pt10 Pt5 119.27(7) . . ?
C7 Pt10 Pt1 149.4(13) . . ?
C6 Pt10 Pt1 108.1(8) . . ?
Pt2 Pt10 Pt1 61.61(5) . . ?
Pt5 Pt10 Pt1 57.86(5) . . ?
C7 Pt10 Ni6 105.9(13) . 2_655 ?
C6 Pt10 Ni6 122.2(8) . 2_655 ?
Pt2 Pt10 Ni6 87.15(6) . 2_655 ?
Pt5 Pt10 Ni6 59.61(5) . 2_655 ?
Pt1 Pt10 Ni6 60.33(5) . 2_655 ?
C7 Pt10 Pt6 105.9(13) . 2_655 ?
C6 Pt10 Pt6 122.2(8) . 2_655 ?
Pt2 Pt10 Pt6 87.15(6) . 2_655 ?
Pt5 Pt10 Pt6 59.61(5) . 2_655 ?
Pt1 Pt10 Pt6 60.33(5) . 2_655 ?
Ni6 Pt10 Pt6 0.0 2_655 2_655 ?
C7 Pt10 Pt7 106.4(13) . . ?
C6 Pt10 Pt7 109.6(8) . . ?
Pt2 Pt10 Pt7 95.44(7) . . ?
Pt5 Pt10 Pt7 58.26(5) . . ?
Pt1 Pt10 Pt7 59.93(5) . . ?
Ni6 Pt10 Pt7 109.16(7) 2_655 . ?
Pt6 Pt10 Pt7 109.16(7) 2_655 . ?
O1 C1 Pt3 143(3) . . ?
O1 C1 Pt8 133(3) . . ?
Pt3 C1 Pt8 83.4(11) . . ?
O2 C2 Pt8 176(4) . . ?
O3 C3 Pt9 175(3) . . ?
O4 C4 Pt6 179(3) . . ?
O5 C5 Pt2 141(3) . . ?
O5 C5 Pt6 134(2) . . ?
Pt2 C5 Pt6 85.1(11) . . ?
O6 C6 Pt10 135(3) . . ?
O6 C6 Pt2 141(3) . . ?
Pt10 C6 Pt2 84.0(11) . . ?
O7 C7 Pt10 174(5) . . ?
O8 C8 Pt5 169(3) . . ?
O9 C9 Pt7 175(4) . . ?
O10 C10 Pt4 144(3) . . ?
O10 C10 Pt7 132(3) . . ?
Pt4 C10 Pt7 83.1(15) . . ?
O11 C11 Pt4 141(3) . . ?
O11 C11 Pt9 133(3) . . ?
Pt4 C11 Pt9 85.5(13) . . ?
C107 N1 C105 110(3) . . ?
C107 N1 C101 114(3) . . ?
C105 N1 C101 111(3) . . ?
C107 N1 C103 109(3) . . ?
C105 N1 C103 110(3) . . ?
C101 N1 C103 102(3) . . ?
N1 C101 C102 121(3) . . ?
N1 C101 H10A 107.1 . . ?
C102 C101 H10A 107.1 . . ?
N1 C101 H10B 107.1 . . ?
C102 C101 H10B 107.1 . . ?
H10A C101 H10B 106.8 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
H10C C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
N1 C103 C104 119(3) . . ?
N1 C103 H10F 107.5 . . ?
C104 C103 H10F 107.5 . . ?
N1 C103 H10G 107.5 . . ?
C104 C103 H10G 107.5 . . ?
H10F C103 H10G 107.0 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
N1 C105 C106 115(4) . . ?
N1 C105 H10K 108.5 . . ?
C106 C105 H10K 108.5 . . ?
N1 C105 H10L 108.5 . . ?
C106 C105 H10L 108.5 . . ?
H10K C105 H10L 107.5 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
H10M C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
N1 C107 C108 113(3) . . ?
N1 C107 H10P 109.0 . . ?
C108 C107 H10P 109.0 . . ?
N1 C107 H10Q 109.0 . . ?
C108 C107 H10Q 109.0 . . ?
H10P C107 H10Q 107.8 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
H10R C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
C207 N2 C203 114(3) . . ?
C207 N2 C205 108(3) . . ?
C203 N2 C205 118(3) . . ?
C211 N2 C215 132(5) . . ?
C211 N2 C217 125(5) . . ?
C215 N2 C217 99(4) . . ?
C211 N2 C213 104(5) . . ?
C215 N2 C213 93(6) . . ?
C217 N2 C213 91.1(16) . . ?
C207 N2 C201 110(4) . . ?
C203 N2 C201 103(3) . . ?
C205 N2 C201 103(4) . . ?
N2 C201 C202 121(4) . . ?
N2 C201 H20A 107.1 . . ?
C202 C201 H20A 107.1 . . ?
N2 C201 H20B 107.1 . . ?
C202 C201 H20B 107.1 . . ?
H20A C201 H20B 106.8 . . ?
C201 C202 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
H20C C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20C C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
N2 C203 C204 113(4) . . ?
N2 C203 H20F 109.1 . . ?
C204 C203 H20F 109.1 . . ?
N2 C203 H20G 109.1 . . ?
C204 C203 H20G 109.1 . . ?
H20F C203 H20G 107.8 . . ?
C203 C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
C203 C204 H20J 109.5 . . ?
H20H C204 H20J 109.5 . . ?
H20I C204 H20J 109.5 . . ?
N2 C205 C206 117(3) . . ?
N2 C205 H20K 108.1 . . ?
C206 C205 H20K 108.1 . . ?
N2 C205 H20L 108.1 . . ?
C206 C205 H20L 108.1 . . ?
H20K C205 H20L 107.3 . . ?
C205 C206 H20M 109.5 . . ?
C205 C206 H20N 109.5 . . ?
H20M C206 H20N 109.5 . . ?
C205 C206 H20O 109.5 . . ?
H20M C206 H20O 109.5 . . ?
H20N C206 H20O 109.5 . . ?
N2 C207 C208 113(4) . . ?
N2 C207 H20P 109.0 . . ?
C208 C207 H20P 109.0 . . ?
N2 C207 H20Q 109.0 . . ?
C208 C207 H20Q 109.0 . . ?
H20P C207 H20Q 107.8 . . ?
C207 C208 H20R 109.5 . . ?
C207 C208 H20S 109.5 . . ?
H20R C208 H20S 109.5 . . ?
C207 C208 H20T 109.5 . . ?
H20R C208 H20T 109.5 . . ?
H20S C208 H20T 109.5 . . ?
N2 C211 C212 87(6) . . ?
N2 C211 H21A 114.1 . . ?
C212 C211 H21A 114.1 . . ?
N2 C211 H21B 114.1 . . ?
C212 C211 H21B 114.1 . . ?
H21A C211 H21B 111.3 . . ?
C211 C212 H21C 109.5 . . ?
C211 C212 H21D 109.5 . . ?
H21C C212 H21D 109.5 . . ?
C211 C212 H21E 109.5 . . ?
H21C C212 H21E 109.5 . . ?
H21D C212 H21E 109.5 . . ?
N2 C213 C214 135(7) . . ?
N2 C213 H21F 103.3 . . ?
C214 C213 H21F 103.3 . . ?
N2 C213 H21G 103.3 . . ?
C214 C213 H21G 103.3 . . ?
H21F C213 H21G 105.2 . . ?
C213 C214 H21H 109.5 . . ?
C213 C214 H21I 109.5 . . ?
H21H C214 H21I 109.5 . . ?
C213 C214 H21J 109.5 . . ?
H21H C214 H21J 109.5 . . ?
H21I C214 H21J 109.5 . . ?
N2 C215 C216 113(6) . . ?
N2 C215 H21K 109.0 . . ?
C216 C215 H21K 109.0 . . ?
N2 C215 H21L 109.0 . . ?
C216 C215 H21L 109.0 . . ?
H21K C215 H21L 107.8 . . ?
C215 C216 H21M 109.5 . . ?
C215 C216 H21N 109.5 . . ?
H21M C216 H21N 109.5 . . ?
C215 C216 H21O 109.5 . . ?
H21M C216 H21O 109.5 . . ?
H21N C216 H21O 109.5 . . ?
N2 C217 C218 123(6) . . ?
N2 C217 H21P 106.6 . . ?
C218 C217 H21P 106.6 . . ?
N2 C217 H21Q 106.6 . . ?
C218 C217 H21Q 106.6 . . ?
H21P C217 H21Q 106.6 . . ?
C217 C218 H21R 109.5 . . ?
C217 C218 H21S 109.5 . . ?
H21R C218 H21S 109.5 . . ?
C217 C218 H21T 109.5 . . ?
H21R C218 H21T 109.5 . . ?
H21S C218 H21T 109.5 . . ?
O301 C301 C303 116(3) . . ?
O301 C301 C302 125(3) . . ?
C303 C301 C302 119(3) . . ?
C301 C302 H30A 109.5 . . ?
C301 C302 H30B 109.5 . . ?
H30A C302 H30B 109.5 . . ?
C301 C302 H30C 109.5 . . ?
H30A C302 H30C 109.5 . . ?
H30B C302 H30C 109.5 . . ?
C301 C303 H30D 109.5 . . ?
C301 C303 H30E 109.5 . . ?
H30D C303 H30E 109.5 . . ?
C301 C303 H30F 109.5 . . ?
H30D C303 H30F 109.5 . . ?
H30E C303 H30F 109.5 . . ?

_refine_diff_density_max         4.233
_refine_diff_density_min         -2.786
_refine_diff_density_rms         0.500



####################################################################### 
# 
# 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_Ni582Pt618
_database_code_depnum_ccdc_archive 'CCDC 2217069'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2023-01-29 deposited with the CCDC.	2023-02-28 downloaded from the CCDC.
;
_vrf_PLAT342_Ni582Pt618          
;
PROBLEM: Low Bond Precision on C-C Bonds
RESPONSE: The cluster anion does not contain C-C 
bonds. The Alert refers to the acetone solvent 
molecules and [NBu4]+ cations. Due to the presence 
of disorder and several heavy elements, it is not 
possible to obtain higher precision on the C-C bonds. 
;
_vrf_PLAT971_Ni582Pt618          
;
PROBLEM: Check Calcd Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom, 
and they are due to strong absorbtion.
;
_vrf_PLAT972_Ni582Pt618          
;
PROBLEM: Check Calcd Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom, 
and they are due to strong absorbtion.
;
_vrf_PLAT973_Ni582Pt618          
;
PROBLEM: Check Calcd Positive Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom, 
and they are series due to strong absorbtion.
;
# end Validation Reply Form   
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C91 H156 N4 Ni5.82 O23 Pt6.18'
_chemical_formula_weight         3221.88

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

_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+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   17.409(5)
_cell_length_b                   25.656(7)
_cell_length_c                   24.249(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10830(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9824
_cell_measurement_theta_min      2.1955
_cell_measurement_theta_max      30.725

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_F_000             6236
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    9.001
_shelx_estimated_absorpt_T_min   0.294
_shelx_estimated_absorpt_T_max   0.387
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.0036
_exptl_absorpt_correction_T_max  0.0326
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1858 (selected reflections only, before parameter refinement)
 R(int) = 0.1084 (selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            79829
_diffrn_reflns_av_unetI/netI     0.0733
_diffrn_reflns_av_R_equivalents  0.1330
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.414
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_full        25.050
_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             9569
_reflns_number_gt                6972
_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       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_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)+(0.1181P)²+346.4885P] 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         9569
_refine_ls_number_parameters     593
_refine_ls_number_restraints     302
_refine_ls_R_factor_all          0.1237
_refine_ls_R_factor_gt           0.0967
_refine_ls_wR_factor_ref         0.2643
_refine_ls_wR_factor_gt          0.2399
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.000
_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
Pt1 Pt 0.5000 0.33311(4) 0.2500 0.0366(3) Uani 1 2 d S T P A .
Pt2 Pt 0.57299(4) 0.23761(3) 0.22513(3) 0.0381(3) Uani 1 1 d . . . . .
Pt3 Pt 0.63846(8) 0.29112(5) 0.32348(5) 0.0472(5) Uani 0.508(7) 1 d . . P A 1
Pt4 Pt 0.55530(7) 0.21040(5) 0.35043(5) 0.0449(5) Uani 0.449(7) 1 d . . P A 1
Pt5 Pt 0.50355(8) 0.30501(5) 0.36776(6) 0.0468(6) Uani 0.424(7) 1 d . . P A 1
Pt6 Pt 0.63586(11) 0.32701(7) 0.20657(7) 0.0424(8) Uani 0.158(6) 1 d . . P A 1
Pt7 Pt 0.5000 0.15395(13) 0.2500 0.0475(14) Uani 0.104(9) 2 d S T P A 1
Ni3 Ni 0.63846(8) 0.29112(5) 0.32348(5) 0.0472(5) Uani 0.492(7) 1 d . . P A 2
Ni4 Ni 0.55530(7) 0.21040(5) 0.35043(5) 0.0449(5) Uani 0.551(7) 1 d . . P A 2
Ni5 Ni 0.50355(8) 0.30501(5) 0.36776(6) 0.0468(6) Uani 0.576(7) 1 d . . P A 2
Ni6 Ni 0.63586(11) 0.32701(7) 0.20657(7) 0.0424(8) Uani 0.842(6) 1 d . . P A 2
Ni7 Ni 0.5000 0.15395(13) 0.2500 0.0475(14) Uani 0.896(9) 2 d S T P A 2
C1 C 0.4373(13) 0.3463(9) 0.4000(9) 0.053(5) Uani 1 1 d . U . . .
C2 C 0.5869(12) 0.3519(9) 0.3599(9) 0.050(5) Uani 1 1 d . . . . .
C3 C 0.4779(11) 0.2391(7) 0.4007(9) 0.042(4) Uani 1 1 d . . . . .
C4 C 0.5446(13) 0.1440(9) 0.3656(9) 0.050(5) Uani 1 1 d . U . . .
C5 C 0.6666(13) 0.2154(9) 0.3321(9) 0.050(5) Uani 1 1 d . U . . .
C6 C 0.6033(12) 0.1638(7) 0.2190(8) 0.040(4) Uani 1 1 d . U . . .
C7 C 0.6674(11) 0.2574(9) 0.1872(9) 0.048(5) Uani 1 1 d . . . . .
C8 C 0.7174(14) 0.3562(9) 0.1823(9) 0.055(5) Uani 1 1 d . U . . .
C9 C 0.5755(10) 0.3866(8) 0.2297(7) 0.036(4) Uani 1 1 d . U . . .
C10 C 0.7272(19) 0.3195(10) 0.3112(10) 0.067(7) Uani 1 1 d . . . . .
C11 C 0.5000 0.0863(19) 0.2500 0.081(11) Uani 1 2 d S TU P . .
O1 O 0.3991(13) 0.3721(10) 0.4273(8) 0.097(7) Uani 1 1 d . . . . .
O2 O 0.6063(11) 0.3930(6) 0.3746(6) 0.067(5) Uani 1 1 d . . . . .
O3 O 0.4388(11) 0.2236(7) 0.4369(7) 0.073(5) Uani 1 1 d . . . . .
O4 O 0.5421(9) 0.1030(7) 0.3810(7) 0.060(4) Uani 1 1 d . . . . .
O5 O 0.7166(8) 0.1902(7) 0.3334(8) 0.066(5) Uani 1 1 d . . . . .
O6 O 0.6534(9) 0.1370(6) 0.2039(7) 0.058(4) Uani 1 1 d . U . . .
O7 O 0.7193(8) 0.2390(6) 0.1632(7) 0.056(4) Uani 1 1 d . U . . .
O8 O 0.7734(11) 0.3713(7) 0.1660(9) 0.080(5) Uani 1 1 d . . . . .
O9 O 0.5840(8) 0.4317(6) 0.2302(6) 0.050(3) Uani 1 1 d . . . . .
O10 O 0.7867(13) 0.3395(7) 0.3111(8) 0.079(5) Uani 1 1 d . . . . .
O11 O 0.5000 0.0428(13) 0.2500 0.091(9) Uani 1 2 d S TU P A .
N1 N 0.7603(10) 0.5143(6) 0.3253(6) 0.056(3) Uani 1 1 d D U . . .
C101 C 0.8070(10) 0.4677(8) 0.3390(9) 0.055(4) Uani 1 1 d D U . . .
H10A H 0.7923 0.4392 0.3135 0.067 Uiso 1 1 calc R U . . .
H10B H 0.7937 0.4563 0.3768 0.067 Uiso 1 1 calc R U . . .
C102 C 0.8934(11) 0.4750(9) 0.3358(10) 0.061(4) Uani 1 1 d D U . . .
H10C H 0.9066 0.4922 0.3005 0.074 Uiso 1 1 calc R U . . .
H10D H 0.9102 0.4981 0.3662 0.074 Uiso 1 1 calc R U . . .
C103 C 0.9361(12) 0.4237(9) 0.3397(11) 0.069(5) Uani 1 1 d D U . . .
H10E H 0.9216 0.4011 0.3083 0.083 Uiso 1 1 calc R U . . .
H10F H 0.9216 0.4056 0.3742 0.083 Uiso 1 1 calc R U . . .
C104 C 1.0225(13) 0.4333(12) 0.3390(12) 0.083(7) Uani 1 1 d D U . . .
H10G H 1.0496 0.3999 0.3415 0.125 Uiso 1 1 calc R U . . .
H10H H 1.0368 0.4508 0.3045 0.125 Uiso 1 1 calc R U . . .
H10I H 1.0368 0.4553 0.3703 0.125 Uiso 1 1 calc R U . . .
C105 C 0.7760(16) 0.5330(9) 0.2682(7) 0.067(4) Uani 1 1 d D U . . .
H10J H 0.8292 0.5465 0.2668 0.081 Uiso 1 1 calc R U . . .
H10K H 0.7411 0.5625 0.2601 0.081 Uiso 1 1 calc R U . . .
C106 C 0.7664(18) 0.4920(10) 0.2231(8) 0.084(5) Uani 1 1 d D U . . .
H10L H 0.7155 0.4750 0.2259 0.101 Uiso 1 1 calc R U . . .
H10M H 0.8067 0.4650 0.2262 0.101 Uiso 1 1 calc R U . . .
C107 C 0.774(2) 0.5215(12) 0.1683(9) 0.098(6) Uani 1 1 d D U . . .
H10N H 0.7438 0.5542 0.1710 0.118 Uiso 1 1 calc R U . . .
H10O H 0.8283 0.5313 0.1632 0.118 Uiso 1 1 calc R U . . .
C108 C 0.748(2) 0.4926(15) 0.1184(12) 0.120(9) Uani 1 1 d D U . . .
H10P H 0.7548 0.5146 0.0857 0.180 Uiso 1 1 calc R U . . .
H10Q H 0.7782 0.4607 0.1143 0.180 Uiso 1 1 calc R U . . .
H10R H 0.6934 0.4836 0.1222 0.180 Uiso 1 1 calc R U . . .
C109 C 0.6784(10) 0.4976(8) 0.3321(9) 0.057(4) Uani 1 1 d D U . . .
H10S H 0.6722 0.4829 0.3696 0.068 Uiso 1 1 calc R U . . .
H10T H 0.6681 0.4692 0.3055 0.068 Uiso 1 1 calc R U . . .
C110 C 0.6179(11) 0.5398(9) 0.3240(9) 0.059(4) Uani 1 1 d D U . . .
H11A H 0.6191 0.5522 0.2853 0.071 Uiso 1 1 calc R U . . .
H11B H 0.6294 0.5698 0.3483 0.071 Uiso 1 1 calc R U . . .
C111 C 0.5383(11) 0.5184(9) 0.3374(10) 0.062(4) Uani 1 1 d D U . . .
H11C H 0.5275 0.4884 0.3129 0.074 Uiso 1 1 calc R U . . .
H11D H 0.5382 0.5055 0.3759 0.074 Uiso 1 1 calc R U . . .
C112 C 0.4747(14) 0.5584(10) 0.3308(10) 0.068(6) Uani 1 1 d D U . . .
H11E H 0.4253 0.5424 0.3400 0.103 Uiso 1 1 calc R U . . .
H11F H 0.4843 0.5879 0.3556 0.103 Uiso 1 1 calc R U . . .
H11G H 0.4737 0.5708 0.2926 0.103 Uiso 1 1 calc R U . . .
C113 C 0.7792(14) 0.5590(8) 0.3619(7) 0.061(4) Uani 1 1 d D U . . .
H11H H 0.7486 0.5894 0.3496 0.073 Uiso 1 1 calc R U . . .
H11I H 0.8340 0.5679 0.3564 0.073 Uiso 1 1 calc R U . . .
C114 C 0.7656(15) 0.5514(9) 0.4235(8) 0.069(4) Uani 1 1 d D U . . .
H11J H 0.7118 0.5405 0.4300 0.083 Uiso 1 1 calc R U . . .
H11K H 0.8000 0.5238 0.4378 0.083 Uiso 1 1 calc R U . . .
C115 C 0.7814(17) 0.6023(10) 0.4533(9) 0.077(5) Uani 1 1 d D U . . .
H11L H 0.8350 0.6134 0.4464 0.093 Uiso 1 1 calc R U . . .
H11M H 0.7467 0.6298 0.4392 0.093 Uiso 1 1 calc R U . . .
C116 C 0.7689(18) 0.5952(13) 0.5148(10) 0.091(7) Uani 1 1 d D U . . .
H11N H 0.7792 0.6282 0.5338 0.136 Uiso 1 1 calc R U . . .
H11O H 0.7157 0.5846 0.5215 0.136 Uiso 1 1 calc R U . . .
H11P H 0.8038 0.5683 0.5287 0.136 Uiso 1 1 calc R U . . .
N2 N 0.7864(8) 0.1894(6) 0.0139(6) 0.049(3) Uani 1 1 d D U . . .
C201 C 0.7275(11) 0.1610(8) 0.0466(8) 0.051(4) Uani 1 1 d D U . . .
H20A H 0.6876 0.1863 0.0580 0.061 Uiso 1 1 calc R U . . .
H20B H 0.7523 0.1477 0.0806 0.061 Uiso 1 1 calc R U . . .
C202 C 0.6880(11) 0.1157(8) 0.0183(8) 0.052(4) Uani 1 1 d D U . . .
H20C H 0.6683 0.1271 -0.0181 0.062 Uiso 1 1 calc R U . . .
H20D H 0.7255 0.0873 0.0121 0.062 Uiso 1 1 calc R U . . .
C203 C 0.6225(11) 0.0959(8) 0.0530(8) 0.053(4) Uani 1 1 d D U . . .
H20E H 0.5835 0.1237 0.0570 0.063 Uiso 1 1 calc R U . . .
H20F H 0.6417 0.0869 0.0902 0.063 Uiso 1 1 calc R U . . .
C204 C 0.5856(13) 0.0483(8) 0.0273(10) 0.062(5) Uani 1 1 d D U . . .
H20G H 0.5432 0.0363 0.0508 0.093 Uiso 1 1 calc R U . . .
H20H H 0.5657 0.0572 -0.0093 0.093 Uiso 1 1 calc R U . . .
H20I H 0.6239 0.0205 0.0239 0.093 Uiso 1 1 calc R U . . .
C205 C 0.8474(11) 0.1524(8) -0.0048(7) 0.047(3) Uani 1 1 d D U . . .
H20J H 0.8846 0.1720 -0.0276 0.057 Uiso 1 1 calc R U . . .
H20K H 0.8231 0.1260 -0.0289 0.057 Uiso 1 1 calc R U . . .
C206 C 0.8916(12) 0.1240(8) 0.0402(7) 0.051(4) Uani 1 1 d D U . . .
H20L H 0.8548 0.1079 0.0663 0.061 Uiso 1 1 calc R U . . .
H20M H 0.9232 0.1494 0.0610 0.061 Uiso 1 1 calc R U . . .
C207 C 0.9435(12) 0.0819(8) 0.0161(9) 0.056(4) Uani 1 1 d D U . . .
H20N H 0.9717 0.0963 -0.0159 0.067 Uiso 1 1 calc R U . . .
H20O H 0.9818 0.0714 0.0442 0.067 Uiso 1 1 calc R U . . .
C208 C 0.8983(14) 0.0342(8) -0.0022(9) 0.064(6) Uani 1 1 d D U . . .
H20P H 0.9336 0.0082 -0.0174 0.095 Uiso 1 1 calc R U . . .
H20Q H 0.8711 0.0194 0.0295 0.095 Uiso 1 1 calc R U . . .
H20R H 0.8610 0.0444 -0.0305 0.095 Uiso 1 1 calc R U . . .
C209 C 0.8206(11) 0.2300(8) 0.0500(8) 0.049(3) Uani 1 1 d D U . . .
H20S H 0.8438 0.2125 0.0824 0.059 Uiso 1 1 calc R U . . .
H20T H 0.7786 0.2526 0.0637 0.059 Uiso 1 1 calc R U . . .
C210 C 0.8811(11) 0.2643(8) 0.0237(8) 0.051(4) Uani 1 1 d D U . . .
H21A H 0.8579 0.2842 -0.0071 0.061 Uiso 1 1 calc R U . . .
H21B H 0.9226 0.2423 0.0084 0.061 Uiso 1 1 calc R U . . .
C211 C 0.9148(12) 0.3023(8) 0.0661(8) 0.056(4) Uani 1 1 d D U . . .
H21C H 0.8727 0.3226 0.0832 0.068 Uiso 1 1 calc R U . . .
H21D H 0.9408 0.2824 0.0956 0.068 Uiso 1 1 calc R U . . .
C212 C 0.9718(14) 0.3394(9) 0.0394(10) 0.067(6) Uani 1 1 d D U . . .
H21E H 0.9923 0.3631 0.0674 0.100 Uiso 1 1 calc R U . . .
H21F H 1.0139 0.3193 0.0231 0.100 Uiso 1 1 calc R U . . .
H21G H 0.9458 0.3596 0.0106 0.100 Uiso 1 1 calc R U . . .
C213 C 0.7533(12) 0.2122(8) -0.0374(7) 0.054(4) Uani 1 1 d D U . . .
H21H H 0.7287 0.1840 -0.0589 0.064 Uiso 1 1 calc R U . . .
H21I H 0.7959 0.2263 -0.0600 0.064 Uiso 1 1 calc R U . . .
C214 C 0.6947(12) 0.2553(9) -0.0285(8) 0.059(4) Uani 1 1 d D U . . .
H21J H 0.6613 0.2461 0.0032 0.071 Uiso 1 1 calc R U . . .
H21K H 0.7217 0.2881 -0.0194 0.071 Uiso 1 1 calc R U . . .
C215 C 0.6455(13) 0.2634(10) -0.0792(9) 0.066(5) Uani 1 1 d D U . . .
H21L H 0.6182 0.2306 -0.0880 0.079 Uiso 1 1 calc R U . . .
H21M H 0.6791 0.2720 -0.1109 0.079 Uiso 1 1 calc R U . . .
C216 C 0.5871(14) 0.3069(11) -0.0713(11) 0.077(7) Uani 1 1 d D U . . .
H21N H 0.5566 0.3109 -0.1049 0.116 Uiso 1 1 calc R U . . .
H21O H 0.5532 0.2982 -0.0404 0.116 Uiso 1 1 calc R U . . .
H21P H 0.6140 0.3396 -0.0633 0.116 Uiso 1 1 calc R U . . .
C301 C 0.895(2) 0.2081(14) 0.2083(14) 0.095(7) Uani 1 1 d . U . . .
O301 O 0.9340(14) 0.2022(9) 0.1697(10) 0.101(6) Uani 1 1 d . U . . .
C302 C 0.847(2) 0.1673(14) 0.2323(15) 0.108(9) Uani 1 1 d . U . . .
H30A H 0.8201 0.1812 0.2644 0.161 Uiso 1 1 calc R U . . .
H30B H 0.8102 0.1552 0.2048 0.161 Uiso 1 1 calc R U . . .
H30C H 0.8800 0.1380 0.2437 0.161 Uiso 1 1 calc R U . . .
C303 C 0.891(3) 0.2584(15) 0.2339(16) 0.110(9) Uani 1 1 d . U . . .
H30D H 0.8565 0.2568 0.2656 0.166 Uiso 1 1 calc R U . . .
H30E H 0.9426 0.2688 0.2463 0.166 Uiso 1 1 calc R U . . .
H30F H 0.8719 0.2839 0.2072 0.166 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C9 1.964(19) 3_655 ?
Pt1 C9 1.964(19) . ?
Pt1 Ni6 2.594(2) 3_655 ?
Pt1 Pt6 2.594(2) 3_655 ?
Pt1 Pt6 2.594(2) . ?
Pt1 Ni6 2.594(2) . ?
Pt1 Pt2 2.8250(13) . ?
Pt1 Pt2 2.8251(13) 3_655 ?
Pt1 Ni5 2.9455(15) 3_655 ?
Pt1 Pt5 2.9455(15) 3_655 ?
Pt1 Pt5 2.9456(15) . ?
Pt1 Ni5 2.9456(15) . ?
Pt2 C7 1.951(19) . ?
Pt2 C6 1.971(19) . ?
Pt2 Ni7 2.566(3) . ?
Pt2 Pt7 2.566(3) . ?
Pt2 Ni6 2.581(2) . ?
Pt2 Pt6 2.581(2) . ?
Pt2 Pt2 2.8131(16) 3_655 ?
Pt2 Ni4 2.9720(16) 3_655 ?
Pt2 Pt4 2.9720(16) 3_655 ?
Pt2 Pt3 2.9786(15) . ?
Pt2 Ni3 2.9786(15) . ?
Pt3 C10 1.73(3) . ?
Pt3 C2 2.00(2) . ?
Pt3 C5 2.02(2) . ?
Pt3 Pt5 2.607(2) . ?
Pt3 Pt4 2.6100(19) . ?
Pt3 Pt6 2.981(2) . ?
Pt4 C4 1.75(2) . ?
Pt4 C3 1.961(19) . ?
Pt4 C5 1.99(2) . ?
Pt4 Pt5 2.623(2) . ?
Pt4 Pt2 2.9719(16) 3_655 ?
Pt4 Pt7 2.993(2) . ?
Pt5 C1 1.75(2) . ?
Pt5 C2 1.89(2) . ?
Pt5 C3 1.92(2) . ?
Pt5 Pt6 3.075(2) 3_655 ?
Pt5 Pt2 3.1367(17) 3_655 ?
Pt6 C8 1.71(3) . ?
Pt6 C7 1.93(2) . ?
Pt6 C9 1.939(19) . ?
Pt6 Pt5 3.075(2) 3_655 ?
Pt7 C11 1.74(5) . ?
Pt7 C6 1.97(2) . ?
Pt7 C6 1.97(2) 3_655 ?
Pt7 Pt2 2.566(3) 3_655 ?
Pt7 Pt4 2.993(2) 3_655 ?
Ni3 C10 1.73(3) . ?
Ni3 C2 2.00(2) . ?
Ni3 C5 2.02(2) . ?
Ni3 Ni5 2.607(2) . ?
Ni3 Ni4 2.6100(19) . ?
Ni3 Ni6 2.981(2) . ?
Ni4 C4 1.75(2) . ?
Ni4 C3 1.961(19) . ?
Ni4 C5 1.99(2) . ?
Ni4 Ni5 2.623(2) . ?
Ni4 Pt2 2.9719(16) 3_655 ?
Ni4 Ni7 2.993(2) . ?
Ni5 C1 1.75(2) . ?
Ni5 C2 1.89(2) . ?
Ni5 C3 1.92(2) . ?
Ni6 C8 1.71(3) . ?
Ni6 C7 1.93(2) . ?
Ni6 C9 1.939(19) . ?
Ni7 C11 1.74(5) . ?
Ni7 C6 1.97(2) . ?
Ni7 C6 1.97(2) 3_655 ?
Ni7 Pt2 2.566(3) 3_655 ?
Ni7 Ni4 2.993(2) 3_655 ?
C1 O1 1.15(3) . ?
C2 O2 1.16(3) . ?
C3 O3 1.18(3) . ?
C4 O4 1.12(3) . ?
C5 O5 1.08(3) . ?
C6 O6 1.17(2) . ?
C7 O7 1.17(2) . ?
C8 O8 1.12(3) . ?
C9 O9 1.17(2) . ?
C10 O10 1.16(3) . ?
C11 O11 1.11(5) . ?
N1 C101 1.485(17) . ?
N1 C113 1.485(17) . ?
N1 C105 1.491(17) . ?
N1 C109 1.497(17) . ?
C101 C102 1.517(17) . ?
C101 H10A 0.9900 . ?
C101 H10B 0.9900 . ?
C102 C103 1.513(18) . ?
C102 H10C 0.9900 . ?
C102 H10D 0.9900 . ?
C103 C104 1.525(18) . ?
C103 H10E 0.9900 . ?
C103 H10F 0.9900 . ?
C104 H10G 0.9800 . ?
C104 H10H 0.9800 . ?
C104 H10I 0.9800 . ?
C105 C106 1.527(18) . ?
C105 H10J 0.9900 . ?
C105 H10K 0.9900 . ?
C106 C107 1.535(18) . ?
C106 H10L 0.9900 . ?
C106 H10M 0.9900 . ?
C107 C108 1.490(19) . ?
C107 H10N 0.9900 . ?
C107 H10O 0.9900 . ?
C108 H10P 0.9800 . ?
C108 H10Q 0.9800 . ?
C108 H10R 0.9800 . ?
C109 C110 1.524(18) . ?
C109 H10S 0.9900 . ?
C109 H10T 0.9900 . ?
C110 C111 1.526(17) . ?
C110 H11A 0.9900 . ?
C110 H11B 0.9900 . ?
C111 C112 1.518(18) . ?
C111 H11C 0.9900 . ?
C111 H11D 0.9900 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C113 C114 1.526(18) . ?
C113 H11H 0.9900 . ?
C113 H11I 0.9900 . ?
C114 C115 1.518(18) . ?
C114 H11J 0.9900 . ?
C114 H11K 0.9900 . ?
C115 C116 1.516(18) . ?
C115 H11L 0.9900 . ?
C115 H11M 0.9900 . ?
C116 H11N 0.9800 . ?
C116 H11O 0.9800 . ?
C116 H11P 0.9800 . ?
N2 C209 1.484(16) . ?
N2 C201 1.487(16) . ?
N2 C213 1.492(16) . ?
N2 C205 1.493(16) . ?
C201 C202 1.515(17) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 C203 1.506(17) . ?
C202 H20C 0.9900 . ?
C202 H20D 0.9900 . ?
C203 C204 1.514(17) . ?
C203 H20E 0.9900 . ?
C203 H20F 0.9900 . ?
C204 H20G 0.9800 . ?
C204 H20H 0.9800 . ?
C204 H20I 0.9800 . ?
C205 C206 1.521(16) . ?
C205 H20J 0.9900 . ?
C205 H20K 0.9900 . ?
C206 C207 1.526(17) . ?
C206 H20L 0.9900 . ?
C206 H20M 0.9900 . ?
C207 C208 1.521(18) . ?
C207 H20N 0.9900 . ?
C207 H20O 0.9900 . ?
C208 H20P 0.9800 . ?
C208 H20Q 0.9800 . ?
C208 H20R 0.9800 . ?
C209 C210 1.513(17) . ?
C209 H20S 0.9900 . ?
C209 H20T 0.9900 . ?
C210 C211 1.534(17) . ?
C210 H21A 0.9900 . ?
C210 H21B 0.9900 . ?
C211 C212 1.519(17) . ?
C211 H21C 0.9900 . ?
C211 H21D 0.9900 . ?
C212 H21E 0.9800 . ?
C212 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C213 C214 1.520(17) . ?
C213 H21H 0.9900 . ?
C213 H21I 0.9900 . ?
C214 C215 1.514(17) . ?
C214 H21J 0.9900 . ?
C214 H21K 0.9900 . ?
C215 C216 1.522(18) . ?
C215 H21L 0.9900 . ?
C215 H21M 0.9900 . ?
C216 H21N 0.9800 . ?
C216 H21O 0.9800 . ?
C216 H21P 0.9800 . ?
C301 O301 1.16(4) . ?
C301 C303 1.43(5) . ?
C301 C302 1.46(5) . ?
C302 H30A 0.9800 . ?
C302 H30B 0.9800 . ?
C302 H30C 0.9800 . ?
C303 H30D 0.9800 . ?
C303 H30E 0.9800 . ?
C303 H30F 0.9800 . ?

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
C9 Pt1 C9 91.2(11) 3_655 . ?
C9 Pt1 Ni6 47.9(6) 3_655 3_655 ?
C9 Pt1 Ni6 139.0(6) . 3_655 ?
C9 Pt1 Pt6 47.9(6) 3_655 3_655 ?
C9 Pt1 Pt6 139.0(6) . 3_655 ?
C9 Pt1 Pt6 139.0(6) 3_655 . ?
C9 Pt1 Pt6 47.9(6) . . ?
Pt6 Pt1 Pt6 173.09(9) 3_655 . ?
C9 Pt1 Ni6 139.0(6) 3_655 . ?
C9 Pt1 Ni6 47.9(6) . . ?
Ni6 Pt1 Ni6 173.09(9) 3_655 . ?
C9 Pt1 Pt2 164.0(6) 3_655 . ?
C9 Pt1 Pt2 104.6(6) . . ?
Ni6 Pt1 Pt2 116.40(6) 3_655 . ?
Pt6 Pt1 Pt2 116.40(6) 3_655 . ?
Pt6 Pt1 Pt2 56.69(5) . . ?
Ni6 Pt1 Pt2 56.69(5) . . ?
C9 Pt1 Pt2 104.6(6) 3_655 3_655 ?
C9 Pt1 Pt2 164.0(6) . 3_655 ?
Ni6 Pt1 Pt2 56.69(5) 3_655 3_655 ?
Pt6 Pt1 Pt2 56.69(5) 3_655 3_655 ?
Pt6 Pt1 Pt2 116.39(6) . 3_655 ?
Ni6 Pt1 Pt2 116.39(6) . 3_655 ?
Pt2 Pt1 Pt2 59.72(4) . 3_655 ?
C9 Pt1 Ni5 113.6(5) 3_655 3_655 ?
C9 Pt1 Ni5 86.7(5) . 3_655 ?
Ni6 Pt1 Ni5 111.08(5) 3_655 3_655 ?
Ni6 Pt1 Ni5 67.10(5) . 3_655 ?
Pt2 Pt1 Ni5 65.82(3) . 3_655 ?
Pt2 Pt1 Ni5 89.16(4) 3_655 3_655 ?
C9 Pt1 Pt5 113.6(5) 3_655 3_655 ?
C9 Pt1 Pt5 86.7(5) . 3_655 ?
Pt6 Pt1 Pt5 111.08(5) 3_655 3_655 ?
Pt6 Pt1 Pt5 67.10(5) . 3_655 ?
Pt2 Pt1 Pt5 65.82(3) . 3_655 ?
Pt2 Pt1 Pt5 89.16(4) 3_655 3_655 ?
C9 Pt1 Pt5 86.7(5) 3_655 . ?
C9 Pt1 Pt5 113.6(5) . . ?
Pt6 Pt1 Pt5 67.09(5) 3_655 . ?
Pt6 Pt1 Pt5 111.08(5) . . ?
Pt2 Pt1 Pt5 89.16(4) . . ?
Pt2 Pt1 Pt5 65.81(3) 3_655 . ?
Pt5 Pt1 Pt5 151.68(7) 3_655 . ?
C9 Pt1 Ni5 86.7(5) 3_655 . ?
C9 Pt1 Ni5 113.6(5) . . ?
Ni6 Pt1 Ni5 67.09(5) 3_655 . ?
Ni6 Pt1 Ni5 111.08(5) . . ?
Pt2 Pt1 Ni5 89.16(4) . . ?
Pt2 Pt1 Ni5 65.81(3) 3_655 . ?
Ni5 Pt1 Ni5 151.68(7) 3_655 . ?
C7 Pt2 C6 89.3(9) . . ?
C7 Pt2 Ni7 138.2(7) . . ?
C6 Pt2 Ni7 49.2(6) . . ?
C7 Pt2 Pt7 138.2(7) . . ?
C6 Pt2 Pt7 49.2(6) . . ?
C7 Pt2 Ni6 47.9(7) . . ?
C6 Pt2 Ni6 136.6(6) . . ?
Ni7 Pt2 Ni6 173.86(6) . . ?
C7 Pt2 Pt6 47.9(7) . . ?
C6 Pt2 Pt6 136.6(6) . . ?
Pt7 Pt2 Pt6 173.86(6) . . ?
C7 Pt2 Pt2 164.5(7) . 3_655 ?
C6 Pt2 Pt2 105.9(6) . 3_655 ?
Ni7 Pt2 Pt2 56.76(4) . 3_655 ?
Pt7 Pt2 Pt2 56.76(4) . 3_655 ?
Ni6 Pt2 Pt2 117.25(5) . 3_655 ?
Pt6 Pt2 Pt2 117.25(5) . 3_655 ?
C7 Pt2 Pt1 104.7(7) . . ?
C6 Pt2 Pt1 165.8(6) . . ?
Ni7 Pt2 Pt1 116.90(5) . . ?
Pt7 Pt2 Pt1 116.90(5) . . ?
Ni6 Pt2 Pt1 57.13(5) . . ?
Pt6 Pt2 Pt1 57.13(5) . . ?
Pt2 Pt2 Pt1 60.14(2) 3_655 . ?
C7 Pt2 Ni4 113.8(6) . 3_655 ?
C6 Pt2 Ni4 86.0(6) . 3_655 ?
Ni7 Pt2 Ni4 64.93(3) . 3_655 ?
Ni6 Pt2 Ni4 114.83(6) . 3_655 ?
Pt2 Pt2 Ni4 65.51(4) 3_655 3_655 ?
Pt1 Pt2 Ni4 89.84(4) . 3_655 ?
C7 Pt2 Pt4 113.8(6) . 3_655 ?
C6 Pt2 Pt4 86.0(6) . 3_655 ?
Pt7 Pt2 Pt4 64.93(3) . 3_655 ?
Pt6 Pt2 Pt4 114.83(6) . 3_655 ?
Pt2 Pt2 Pt4 65.51(4) 3_655 3_655 ?
Pt1 Pt2 Pt4 89.84(4) . 3_655 ?
C7 Pt2 Pt3 86.3(6) . . ?
C6 Pt2 Pt3 113.6(5) . . ?
Pt7 Pt2 Pt3 112.76(4) . . ?
Pt6 Pt2 Pt3 64.39(5) . . ?
Pt2 Pt2 Pt3 90.14(4) 3_655 . ?
Pt1 Pt2 Pt3 66.51(3) . . ?
Pt4 Pt2 Pt3 152.81(5) 3_655 . ?
C7 Pt2 Ni3 86.3(6) . . ?
C6 Pt2 Ni3 113.6(5) . . ?
Ni7 Pt2 Ni3 112.76(4) . . ?
Ni6 Pt2 Ni3 64.39(5) . . ?
Pt2 Pt2 Ni3 90.14(4) 3_655 . ?
Pt1 Pt2 Ni3 66.51(3) . . ?
Ni4 Pt2 Ni3 152.81(5) 3_655 . ?
C10 Pt3 C2 98.5(10) . . ?
C10 Pt3 C5 101.9(11) . . ?
C2 Pt3 C5 144.4(9) . . ?
C10 Pt3 Pt5 144.7(9) . . ?
C2 Pt3 Pt5 46.3(6) . . ?
C5 Pt3 Pt5 108.0(6) . . ?
C10 Pt3 Pt4 150.5(9) . . ?
C2 Pt3 Pt4 105.0(6) . . ?
C5 Pt3 Pt4 49.0(7) . . ?
Pt5 Pt3 Pt4 60.37(5) . . ?
C10 Pt3 Pt2 113.4(8) . . ?
C2 Pt3 Pt2 122.7(6) . . ?
C5 Pt3 Pt2 74.4(6) . . ?
Pt5 Pt3 Pt2 92.75(5) . . ?
Pt4 Pt3 Pt2 67.82(4) . . ?
C10 Pt3 Pt6 73.8(8) . . ?
C2 Pt3 Pt6 99.9(7) . . ?
C5 Pt3 Pt6 113.6(6) . . ?
Pt5 Pt3 Pt6 109.61(6) . . ?
Pt4 Pt3 Pt6 118.34(6) . . ?
Pt2 Pt3 Pt6 51.32(5) . . ?
C10 Pt3 Pt1 115.9(8) . . ?
C2 Pt3 Pt1 69.2(6) . . ?
C5 Pt3 Pt1 124.6(6) . . ?
Pt5 Pt3 Pt1 60.15(4) . . ?
Pt4 Pt3 Pt1 89.35(5) . . ?
Pt2 Pt3 Pt1 54.43(3) . . ?
Pt6 Pt3 Pt1 49.61(4) . . ?
C4 Pt4 C3 99.3(9) . . ?
C4 Pt4 C5 102.2(10) . . ?
C3 Pt4 C5 141.6(9) . . ?
C4 Pt4 Pt3 151.9(7) . . ?
C3 Pt4 Pt3 103.8(6) . . ?
C5 Pt4 Pt3 49.8(7) . . ?
C4 Pt4 Pt5 146.1(7) . . ?
C3 Pt4 Pt5 46.9(6) . . ?
C5 Pt4 Pt5 108.1(7) . . ?
Pt3 Pt4 Pt5 59.76(5) . . ?
C4 Pt4 Pt2 106.1(7) . 3_655 ?
C3 Pt4 Pt2 77.2(6) . 3_655 ?
C5 Pt4 Pt2 125.3(6) . 3_655 ?
Pt3 Pt4 Pt2 94.37(5) . 3_655 ?
Pt5 Pt4 Pt2 67.87(5) . 3_655 ?
C4 Pt4 Pt7 70.5(7) . . ?
C3 Pt4 Pt7 117.8(6) . . ?
C5 Pt4 Pt7 99.3(6) . . ?
Pt3 Pt4 Pt7 111.02(7) . . ?
Pt5 Pt4 Pt7 117.89(7) . . ?
Pt2 Pt4 Pt7 50.96(5) 3_655 . ?
C4 Pt4 Pt2 115.5(7) . . ?
C3 Pt4 Pt2 125.9(6) . . ?
C5 Pt4 Pt2 71.0(6) . . ?
Pt3 Pt4 Pt2 61.69(4) . . ?
Pt5 Pt4 Pt2 89.02(5) . . ?
Pt2 Pt4 Pt2 54.80(4) 3_655 . ?
Pt7 Pt4 Pt2 49.47(5) . . ?
C1 Pt5 C2 99.5(10) . . ?
C1 Pt5 C3 101.1(10) . . ?
C2 Pt5 C3 141.1(10) . . ?
C1 Pt5 Pt3 149.4(8) . . ?
C2 Pt5 Pt3 49.9(7) . . ?
C3 Pt5 Pt3 105.1(6) . . ?
C1 Pt5 Pt4 149.0(8) . . ?
C2 Pt5 Pt4 108.0(7) . . ?
C3 Pt5 Pt4 48.1(6) . . ?
Pt3 Pt5 Pt4 59.87(5) . . ?
C1 Pt5 Pt1 105.8(7) . . ?
C2 Pt5 Pt1 76.3(7) . . ?
C3 Pt5 Pt1 127.8(6) . . ?
Pt3 Pt5 Pt1 69.71(4) . . ?
Pt4 Pt5 Pt1 94.50(5) . . ?
C1 Pt5 Pt6 68.4(7) . 3_655 ?
C2 Pt5 Pt6 115.4(7) . 3_655 ?
C3 Pt5 Pt6 102.8(6) . 3_655 ?
Pt3 Pt5 Pt6 119.65(7) . 3_655 ?
Pt4 Pt5 Pt6 110.31(7) . 3_655 ?
Pt1 Pt5 Pt6 50.98(4) . 3_655 ?
C1 Pt5 Pt2 112.0(8) . 3_655 ?
C2 Pt5 Pt2 127.1(6) . 3_655 ?
C3 Pt5 Pt2 73.4(6) . 3_655 ?
Pt3 Pt5 Pt2 90.67(5) . 3_655 ?
Pt4 Pt5 Pt2 61.36(4) . 3_655 ?
Pt1 Pt5 Pt2 55.24(3) . 3_655 ?
Pt6 Pt5 Pt2 49.09(4) 3_655 3_655 ?
C8 Pt6 C7 94.9(10) . . ?
C8 Pt6 C9 101.8(10) . . ?
C7 Pt6 C9 163.0(8) . . ?
C8 Pt6 Pt2 143.3(8) . . ?
C7 Pt6 Pt2 48.7(6) . . ?
C9 Pt6 Pt2 114.9(6) . . ?
C8 Pt6 Pt1 150.5(8) . . ?
C7 Pt6 Pt1 114.5(6) . . ?
C9 Pt6 Pt1 48.8(5) . . ?
Pt2 Pt6 Pt1 66.18(5) . . ?
C8 Pt6 Pt3 116.8(8) . . ?
C7 Pt6 Pt3 86.6(6) . . ?
C9 Pt6 Pt3 88.7(5) . . ?
Pt2 Pt6 Pt3 64.29(5) . . ?
Pt1 Pt6 Pt3 69.29(5) . . ?
C8 Pt6 Pt5 122.3(8) . 3_655 ?
C7 Pt6 Pt5 84.9(6) . 3_655 ?
C9 Pt6 Pt5 83.5(5) . 3_655 ?
Pt2 Pt6 Pt5 66.70(5) . 3_655 ?
Pt1 Pt6 Pt5 61.92(5) . 3_655 ?
Pt3 Pt6 Pt5 120.84(7) . 3_655 ?
C11 Pt7 C6 97.4(6) . . ?
C11 Pt7 C6 97.4(6) . 3_655 ?
C6 Pt7 C6 165.2(11) . 3_655 ?
C11 Pt7 Pt2 146.76(4) . 3_655 ?
C6 Pt7 Pt2 115.8(6) . 3_655 ?
C6 Pt7 Pt2 49.4(6) 3_655 3_655 ?
C11 Pt7 Pt2 146.76(4) . . ?
C6 Pt7 Pt2 49.4(6) . . ?
C6 Pt7 Pt2 115.8(6) 3_655 . ?
Pt2 Pt7 Pt2 66.47(9) 3_655 . ?
C11 Pt7 Pt4 118.95(6) . 3_655 ?
C6 Pt7 Pt4 85.5(5) . 3_655 ?
C6 Pt7 Pt4 87.4(5) 3_655 3_655 ?
Pt2 Pt7 Pt4 68.11(7) 3_655 3_655 ?
Pt2 Pt7 Pt4 64.10(6) . 3_655 ?
C11 Pt7 Pt4 118.95(6) . . ?
C6 Pt7 Pt4 87.4(5) . . ?
C6 Pt7 Pt4 85.5(5) 3_655 . ?
Pt2 Pt7 Pt4 64.10(6) 3_655 . ?
Pt2 Pt7 Pt4 68.11(7) . . ?
Pt4 Pt7 Pt4 122.11(12) 3_655 . ?
C10 Ni3 C2 98.5(10) . . ?
C10 Ni3 C5 101.9(11) . . ?
C2 Ni3 C5 144.4(9) . . ?
C10 Ni3 Ni5 144.7(9) . . ?
C2 Ni3 Ni5 46.3(6) . . ?
C5 Ni3 Ni5 108.0(6) . . ?
C10 Ni3 Ni4 150.5(9) . . ?
C2 Ni3 Ni4 105.0(6) . . ?
C5 Ni3 Ni4 49.0(7) . . ?
Ni5 Ni3 Ni4 60.37(5) . . ?
C10 Ni3 Pt2 113.4(8) . . ?
C2 Ni3 Pt2 122.7(6) . . ?
C5 Ni3 Pt2 74.4(6) . . ?
Ni5 Ni3 Pt2 92.75(5) . . ?
Ni4 Ni3 Pt2 67.82(4) . . ?
C10 Ni3 Ni6 73.8(8) . . ?
C2 Ni3 Ni6 99.9(7) . . ?
C5 Ni3 Ni6 113.6(6) . . ?
Ni5 Ni3 Ni6 109.61(6) . . ?
Ni4 Ni3 Ni6 118.34(6) . . ?
Pt2 Ni3 Ni6 51.32(5) . . ?
C4 Ni4 C3 99.3(9) . . ?
C4 Ni4 C5 102.2(10) . . ?
C3 Ni4 C5 141.6(9) . . ?
C4 Ni4 Ni3 151.9(7) . . ?
C3 Ni4 Ni3 103.8(6) . . ?
C5 Ni4 Ni3 49.8(7) . . ?
C4 Ni4 Ni5 146.1(7) . . ?
C3 Ni4 Ni5 46.9(6) . . ?
C5 Ni4 Ni5 108.1(7) . . ?
Ni3 Ni4 Ni5 59.76(5) . . ?
C4 Ni4 Pt2 106.1(7) . 3_655 ?
C3 Ni4 Pt2 77.2(6) . 3_655 ?
C5 Ni4 Pt2 125.3(6) . 3_655 ?
Ni3 Ni4 Pt2 94.37(5) . 3_655 ?
Ni5 Ni4 Pt2 67.87(5) . 3_655 ?
C4 Ni4 Ni7 70.5(7) . . ?
C3 Ni4 Ni7 117.8(6) . . ?
C5 Ni4 Ni7 99.3(6) . . ?
Ni3 Ni4 Ni7 111.02(7) . . ?
Ni5 Ni4 Ni7 117.89(7) . . ?
Pt2 Ni4 Ni7 50.96(5) 3_655 . ?
C1 Ni5 C2 99.5(10) . . ?
C1 Ni5 C3 101.1(10) . . ?
C2 Ni5 C3 141.1(10) . . ?
C1 Ni5 Ni3 149.4(8) . . ?
C2 Ni5 Ni3 49.9(7) . . ?
C3 Ni5 Ni3 105.1(6) . . ?
C1 Ni5 Ni4 149.0(8) . . ?
C2 Ni5 Ni4 108.0(7) . . ?
C3 Ni5 Ni4 48.1(6) . . ?
Ni3 Ni5 Ni4 59.87(5) . . ?
C1 Ni5 Pt1 105.8(7) . . ?
C2 Ni5 Pt1 76.3(7) . . ?
C3 Ni5 Pt1 127.8(6) . . ?
Ni3 Ni5 Pt1 69.71(4) . . ?
Ni4 Ni5 Pt1 94.50(5) . . ?
C8 Ni6 C7 94.9(10) . . ?
C8 Ni6 C9 101.8(10) . . ?
C7 Ni6 C9 163.0(8) . . ?
C8 Ni6 Pt2 143.3(8) . . ?
C7 Ni6 Pt2 48.7(6) . . ?
C9 Ni6 Pt2 114.9(6) . . ?
C8 Ni6 Pt1 150.5(8) . . ?
C7 Ni6 Pt1 114.5(6) . . ?
C9 Ni6 Pt1 48.8(5) . . ?
Pt2 Ni6 Pt1 66.18(5) . . ?
C8 Ni6 Ni3 116.8(8) . . ?
C7 Ni6 Ni3 86.6(6) . . ?
C9 Ni6 Ni3 88.7(5) . . ?
Pt2 Ni6 Ni3 64.29(5) . . ?
Pt1 Ni6 Ni3 69.29(5) . . ?
C11 Ni7 C6 97.4(6) . . ?
C11 Ni7 C6 97.4(6) . 3_655 ?
C6 Ni7 C6 165.2(11) . 3_655 ?
C11 Ni7 Pt2 146.76(4) . 3_655 ?
C6 Ni7 Pt2 115.8(6) . 3_655 ?
C6 Ni7 Pt2 49.4(6) 3_655 3_655 ?
C11 Ni7 Pt2 146.76(4) . . ?
C6 Ni7 Pt2 49.4(6) . . ?
C6 Ni7 Pt2 115.8(6) 3_655 . ?
Pt2 Ni7 Pt2 66.47(9) 3_655 . ?
C11 Ni7 Ni4 118.95(6) . 3_655 ?
C6 Ni7 Ni4 85.5(5) . 3_655 ?
C6 Ni7 Ni4 87.4(5) 3_655 3_655 ?
Pt2 Ni7 Ni4 68.11(7) 3_655 3_655 ?
Pt2 Ni7 Ni4 64.10(6) . 3_655 ?
C11 Ni7 Ni4 118.95(6) . . ?
C6 Ni7 Ni4 87.4(5) . . ?
C6 Ni7 Ni4 85.5(5) 3_655 . ?
Pt2 Ni7 Ni4 64.10(6) 3_655 . ?
Pt2 Ni7 Ni4 68.11(7) . . ?
Ni4 Ni7 Ni4 122.11(12) 3_655 . ?
O1 C1 Pt5 171(2) . . ?
O1 C1 Ni5 171(2) . . ?
O2 C2 Ni5 140.1(19) . . ?
O2 C2 Pt5 140.1(19) . . ?
O2 C2 Pt3 135.3(18) . . ?
Pt5 C2 Pt3 83.9(9) . . ?
O2 C2 Ni3 135.3(18) . . ?
Ni5 C2 Ni3 83.9(9) . . ?
O3 C3 Ni5 137.6(17) . . ?
O3 C3 Pt5 137.6(17) . . ?
O3 C3 Pt4 137.2(17) . . ?
Pt5 C3 Pt4 85.0(8) . . ?
O3 C3 Ni4 137.2(17) . . ?
Ni5 C3 Ni4 85.0(8) . . ?
O4 C4 Pt4 172(2) . . ?
O4 C4 Ni4 172(2) . . ?
O5 C5 Ni4 137.5(19) . . ?
O5 C5 Pt4 137.5(19) . . ?
O5 C5 Pt3 141(2) . . ?
Pt4 C5 Pt3 81.3(9) . . ?
O5 C5 Ni3 141(2) . . ?
Ni4 C5 Ni3 81.3(9) . . ?
O6 C6 Ni7 136.5(16) . . ?
O6 C6 Pt7 136.5(16) . . ?
O6 C6 Pt2 142.1(17) . . ?
Ni7 C6 Pt2 81.4(8) . . ?
Pt7 C6 Pt2 81.4(8) . . ?
O7 C7 Ni6 135.5(17) . . ?
O7 C7 Pt6 135.5(17) . . ?
O7 C7 Pt2 141.1(18) . . ?
Ni6 C7 Pt2 83.4(8) . . ?
Pt6 C7 Pt2 83.4(8) . . ?
O8 C8 Pt6 174(2) . . ?
O8 C8 Ni6 174(2) . . ?
O9 C9 Ni6 135.9(15) . . ?
O9 C9 Pt6 135.9(15) . . ?
O9 C9 Pt1 140.8(16) . . ?
Ni6 C9 Pt1 83.3(8) . . ?
Pt6 C9 Pt1 83.3(8) . . ?
O10 C10 Pt3 170(2) . . ?
O10 C10 Ni3 170(2) . . ?
O11 C11 Pt7 180.0 . . ?
O11 C11 Ni7 180.0 . . ?
C101 N1 C113 111.6(17) . . ?
C101 N1 C105 111.4(18) . . ?
C113 N1 C105 105.4(15) . . ?
C101 N1 C109 105.4(14) . . ?
C113 N1 C109 111.5(17) . . ?
C105 N1 C109 111.6(17) . . ?
N1 C101 C102 115.6(17) . . ?
N1 C101 H10A 108.4 . . ?
C102 C101 H10A 108.4 . . ?
N1 C101 H10B 108.4 . . ?
C102 C101 H10B 108.4 . . ?
H10A C101 H10B 107.4 . . ?
C103 C102 C101 112.1(17) . . ?
C103 C102 H10C 109.2 . . ?
C101 C102 H10C 109.2 . . ?
C103 C102 H10D 109.2 . . ?
C101 C102 H10D 109.2 . . ?
H10C C102 H10D 107.9 . . ?
C102 C103 C104 110(2) . . ?
C102 C103 H10E 109.6 . . ?
C104 C103 H10E 109.6 . . ?
C102 C103 H10F 109.6 . . ?
C104 C103 H10F 109.6 . . ?
H10E C103 H10F 108.2 . . ?
C103 C104 H10G 109.5 . . ?
C103 C104 H10H 109.5 . . ?
H10G C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10G C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
N1 C105 C106 115.1(17) . . ?
N1 C105 H10J 108.5 . . ?
C106 C105 H10J 108.5 . . ?
N1 C105 H10K 108.5 . . ?
C106 C105 H10K 108.5 . . ?
H10J C105 H10K 107.5 . . ?
C105 C106 C107 105.7(19) . . ?
C105 C106 H10L 110.6 . . ?
C107 C106 H10L 110.6 . . ?
C105 C106 H10M 110.6 . . ?
C107 C106 H10M 110.6 . . ?
H10L C106 H10M 108.7 . . ?
C108 C107 C106 116(2) . . ?
C108 C107 H10N 108.4 . . ?
C106 C107 H10N 108.4 . . ?
C108 C107 H10O 108.4 . . ?
C106 C107 H10O 108.4 . . ?
H10N C107 H10O 107.4 . . ?
C107 C108 H10P 109.5 . . ?
C107 C108 H10Q 109.5 . . ?
H10P C108 H10Q 109.5 . . ?
C107 C108 H10R 109.5 . . ?
H10P C108 H10R 109.5 . . ?
H10Q C108 H10R 109.5 . . ?
N1 C109 C110 116.1(17) . . ?
N1 C109 H10S 108.3 . . ?
C110 C109 H10S 108.3 . . ?
N1 C109 H10T 108.3 . . ?
C110 C109 H10T 108.3 . . ?
H10S C109 H10T 107.4 . . ?
C109 C110 C111 110.1(17) . . ?
C109 C110 H11A 109.6 . . ?
C111 C110 H11A 109.6 . . ?
C109 C110 H11B 109.6 . . ?
C111 C110 H11B 109.6 . . ?
H11A C110 H11B 108.2 . . ?
C112 C111 C110 113.3(19) . . ?
C112 C111 H11C 108.9 . . ?
C110 C111 H11C 108.9 . . ?
C112 C111 H11D 108.9 . . ?
C110 C111 H11D 108.9 . . ?
H11C C111 H11D 107.7 . . ?
C111 C112 H11E 109.5 . . ?
C111 C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C111 C112 H11G 109.5 . . ?
H11E C112 H11G 109.5 . . ?
H11F C112 H11G 109.5 . . ?
N1 C113 C114 116.8(17) . . ?
N1 C113 H11H 108.1 . . ?
C114 C113 H11H 108.1 . . ?
N1 C113 H11I 108.1 . . ?
C114 C113 H11I 108.1 . . ?
H11H C113 H11I 107.3 . . ?
C115 C114 C113 109.2(18) . . ?
C115 C114 H11J 109.8 . . ?
C113 C114 H11J 109.8 . . ?
C115 C114 H11K 109.8 . . ?
C113 C114 H11K 109.8 . . ?
H11J C114 H11K 108.3 . . ?
C116 C115 C114 110(2) . . ?
C116 C115 H11L 109.7 . . ?
C114 C115 H11L 109.7 . . ?
C116 C115 H11M 109.7 . . ?
C114 C115 H11M 109.7 . . ?
H11L C115 H11M 108.2 . . ?
C115 C116 H11N 109.5 . . ?
C115 C116 H11O 109.5 . . ?
H11N C116 H11O 109.5 . . ?
C115 C116 H11P 109.5 . . ?
H11N C116 H11P 109.5 . . ?
H11O C116 H11P 109.5 . . ?
C209 N2 C201 107.8(13) . . ?
C209 N2 C213 111.7(16) . . ?
C201 N2 C213 111.8(15) . . ?
C209 N2 C205 109.9(15) . . ?
C201 N2 C205 109.9(15) . . ?
C213 N2 C205 105.7(13) . . ?
N2 C201 C202 116.5(15) . . ?
N2 C201 H20A 108.2 . . ?
C202 C201 H20A 108.2 . . ?
N2 C201 H20B 108.2 . . ?
C202 C201 H20B 108.2 . . ?
H20A C201 H20B 107.3 . . ?
C203 C202 C201 110.5(15) . . ?
C203 C202 H20C 109.6 . . ?
C201 C202 H20C 109.6 . . ?
C203 C202 H20D 109.6 . . ?
C201 C202 H20D 109.6 . . ?
H20C C202 H20D 108.1 . . ?
C202 C203 C204 111.4(17) . . ?
C202 C203 H20E 109.3 . . ?
C204 C203 H20E 109.3 . . ?
C202 C203 H20F 109.3 . . ?
C204 C203 H20F 109.3 . . ?
H20E C203 H20F 108.0 . . ?
C203 C204 H20G 109.5 . . ?
C203 C204 H20H 109.5 . . ?
H20G C204 H20H 109.5 . . ?
C203 C204 H20I 109.5 . . ?
H20G C204 H20I 109.5 . . ?
H20H C204 H20I 109.5 . . ?
N2 C205 C206 116.4(14) . . ?
N2 C205 H20J 108.2 . . ?
C206 C205 H20J 108.2 . . ?
N2 C205 H20K 108.2 . . ?
C206 C205 H20K 108.2 . . ?
H20J C205 H20K 107.3 . . ?
C205 C206 C207 111.3(16) . . ?
C205 C206 H20L 109.4 . . ?
C207 C206 H20L 109.4 . . ?
C205 C206 H20M 109.4 . . ?
C207 C206 H20M 109.4 . . ?
H20L C206 H20M 108.0 . . ?
C208 C207 C206 112.0(18) . . ?
C208 C207 H20N 109.2 . . ?
C206 C207 H20N 109.2 . . ?
C208 C207 H20O 109.2 . . ?
C206 C207 H20O 109.2 . . ?
H20N C207 H20O 107.9 . . ?
C207 C208 H20P 109.5 . . ?
C207 C208 H20Q 109.5 . . ?
H20P C208 H20Q 109.5 . . ?
C207 C208 H20R 109.5 . . ?
H20P C208 H20R 109.5 . . ?
H20Q C208 H20R 109.5 . . ?
N2 C209 C210 116.1(15) . . ?
N2 C209 H20S 108.3 . . ?
C210 C209 H20S 108.3 . . ?
N2 C209 H20T 108.3 . . ?
C210 C209 H20T 108.3 . . ?
H20S C209 H20T 107.4 . . ?
C209 C210 C211 110.7(15) . . ?
C209 C210 H21A 109.5 . . ?
C211 C210 H21A 109.5 . . ?
C209 C210 H21B 109.5 . . ?
C211 C210 H21B 109.5 . . ?
H21A C210 H21B 108.1 . . ?
C212 C211 C210 111.3(17) . . ?
C212 C211 H21C 109.4 . . ?
C210 C211 H21C 109.4 . . ?
C212 C211 H21D 109.4 . . ?
C210 C211 H21D 109.4 . . ?
H21C C211 H21D 108.0 . . ?
C211 C212 H21E 109.5 . . ?
C211 C212 H21F 109.5 . . ?
H21E C212 H21F 109.5 . . ?
C211 C212 H21G 109.5 . . ?
H21E C212 H21G 109.5 . . ?
H21F C212 H21G 109.5 . . ?
N2 C213 C214 115.2(15) . . ?
N2 C213 H21H 108.5 . . ?
C214 C213 H21H 108.5 . . ?
N2 C213 H21I 108.5 . . ?
C214 C213 H21I 108.5 . . ?
H21H C213 H21I 107.5 . . ?
C215 C214 C213 111.3(17) . . ?
C215 C214 H21J 109.4 . . ?
C213 C214 H21J 109.4 . . ?
C215 C214 H21K 109.4 . . ?
C213 C214 H21K 109.4 . . ?
H21J C214 H21K 108.0 . . ?
C214 C215 C216 112.0(19) . . ?
C214 C215 H21L 109.2 . . ?
C216 C215 H21L 109.2 . . ?
C214 C215 H21M 109.2 . . ?
C216 C215 H21M 109.2 . . ?
H21L C215 H21M 107.9 . . ?
C215 C216 H21N 109.5 . . ?
C215 C216 H21O 109.5 . . ?
H21N C216 H21O 109.5 . . ?
C215 C216 H21P 109.5 . . ?
H21N C216 H21P 109.5 . . ?
H21O C216 H21P 109.5 . . ?
O301 C301 C303 120(4) . . ?
O301 C301 C302 124(4) . . ?
C303 C301 C302 116(4) . . ?
C301 C302 H30A 109.5 . . ?
C301 C302 H30B 109.5 . . ?
H30A C302 H30B 109.5 . . ?
C301 C302 H30C 109.5 . . ?
H30A C302 H30C 109.5 . . ?
H30B C302 H30C 109.5 . . ?
C301 C303 H30D 109.5 . . ?
C301 C303 H30E 109.5 . . ?
H30D C303 H30E 109.5 . . ?
C301 C303 H30F 109.5 . . ?
H30D C303 H30F 109.5 . . ?
H30E C303 H30F 109.5 . . ?

_refine_diff_density_max         3.952
_refine_diff_density_min         -2.626
_refine_diff_density_rms         0.376



####################################################################### 
# 
# 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_Ni2330Pt1470
_database_code_depnum_ccdc_archive 'CCDC 2217076'
loop_
_audit_author_name
_audit_author_address
'Stefano Zacchini'
;Universita di Bologna
Italy
;
_audit_update_record             
;
2022-11-02 deposited with the CCDC.	2023-02-28 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_Ni2330Pt1470        
;
PROBLEM: Check Calcd Resid. Dens.
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom, 
and they are series termination errors which are 
common with heavy atoms.
;
_vrf_PLAT973_Ni2330Pt1470        
;
PROBLEM: Check Calcd Positive Resid. Density
RESPONSE: These alerts are due to high 
values for the residual electron density. These 
maxima are located close to the Ni/Pt atoms, in 
positions which are not realistic for any atom, 
and they are series termination errors which are 
common with heavy atoms.
;
# end Validation Reply Form  
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C73 H78 N5 Ni23.30 O47 Pt14.70'
_chemical_formula_weight         6012.97

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'

_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'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   16.2307(19)
_cell_length_b                   16.2307(19)
_cell_length_c                   36.437(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     8313(2)
_cell_formula_units_Z            3
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9927
_cell_measurement_theta_min      2.5095
_cell_measurement_theta_max      28.759

_exptl_crystal_description       cube
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.603
_exptl_crystal_F_000             8178
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    22.395
_shelx_estimated_absorpt_T_min   0.124
_shelx_estimated_absorpt_T_max   0.159
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.0092
_exptl_absorpt_correction_T_max  0.0393
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1636 (selected reflections only, before parameter refinement)
 R(int) = 0.0980(selected reflections only, after parameter refinement)
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41806
_diffrn_reflns_av_unetI/netI     0.0651
_diffrn_reflns_av_R_equivalents  0.1759
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_theta_min         1.677
_diffrn_reflns_theta_max         25.994
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3617
_reflns_number_gt                2296
_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       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_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)+(0.0567P)²] 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         3617
_refine_ls_number_parameters     238
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0446
_refine_ls_wR_factor_ref         0.1287
_refine_ls_wR_factor_gt          0.1151
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.000
_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
Pt1 Pt 0.11278(3) 0.05809(3) 0.03051(2) 0.01601(15) Uani 1 1 d . . . . .
Pt2 Pt 0.11123(4) -0.11977(4) 0.02931(2) 0.02315(17) Uani 1 1 d . . . . .
Pt3 Pt 0.0000 0.0000 0.09165(2) 0.0206(2) Uani 1 3 d S T P . .
Ni4 Ni 0.16380(11) 0.17301(12) 0.08653(4) 0.0225(4) Uani 1 1 d . . . . .
Ni5 Ni 0.27749(12) 0.21410(12) 0.02867(4) 0.0224(4) Uani 1 1 d . . . . .
Ni6 Ni 0.27199(12) 0.04943(12) 0.03193(4) 0.0233(4) Uani 1 1 d . . . . .
Ni7 Ni 0.17195(9) 0.01442(10) 0.08959(4) 0.0267(5) Uani 0.884(3) 1 d . . P . .
Pt7 Pt 0.17195(9) 0.01442(10) 0.08959(4) 0.0267(5) Uani 0.116(3) 1 d . . P . .
C1 C 0.3774(10) 0.0529(10) 0.0197(4) 0.032(3) Uani 1 1 d . . . . .
C2 C 0.3551(10) 0.2133(9) -0.0087(4) 0.030(3) Uani 1 1 d . . . . .
C3 C 0.3649(9) 0.3002(10) 0.0578(4) 0.032(3) Uani 1 1 d . . . . .
C4 C 0.3032(9) 0.0790(9) 0.0807(3) 0.026(3) Uani 1 1 d . . . . .
C5 C 0.1798(11) 0.2921(12) 0.0772(4) 0.044(4) Uani 1 1 d . . . . .
C6 C 0.2238(11) 0.1969(11) 0.1291(4) 0.038(4) Uani 1 1 d . . . . .
C7 C 0.1780(10) -0.0157(12) 0.1352(4) 0.043(4) Uani 1 1 d . . . . .
C8 C 0.0000 0.0000 0.1415(6) 0.030(5) Uani 1 3 d S T P . .
O1 O 0.4518(8) 0.0600(8) 0.0133(3) 0.054(3) Uani 1 1 d . . . . .
O2 O 0.4369(7) 0.2525(7) -0.0169(3) 0.043(3) Uani 1 1 d . . . . .
O3 O 0.4250(8) 0.3544(8) 0.0760(3) 0.052(3) Uani 1 1 d . . . . .
O4 O 0.3746(7) 0.1242(8) 0.0985(3) 0.052(3) Uani 1 1 d . . . . .
O5 O 0.2132(9) 0.3707(8) 0.0915(3) 0.057(3) Uani 1 1 d . . . . .
O6 O 0.2643(9) 0.2189(10) 0.1555(3) 0.068(4) Uani 1 1 d . U . . .
O7 O 0.1808(9) -0.0378(9) 0.1654(3) 0.071(4) Uani 1 1 d . . . . .
O8 O 0.0000 0.0000 0.1729(4) 0.048(5) Uani 1 3 d S T P . .
N1 N 0.66667 0.33333 0.0570(5) 0.028(4) Uani 1 3 d S T P . .
C101 C 0.5774(11) 0.2487(11) 0.0694(5) 0.059(5) Uani 1 1 d . . . . .
H10A H 0.5755 0.2469 0.0962 0.089 Uiso 1 1 calc R U . . .
H10B H 0.5227 0.2524 0.0600 0.089 Uiso 1 1 calc R U . . .
H10C H 0.5751 0.1910 0.0600 0.089 Uiso 1 1 calc R U . . .
C102 C 0.66667 0.33333 0.0164(7) 0.067(10) Uani 1 3 d S T P . .
H10D H 0.7250 0.3887 0.0074 0.100 Uiso 0.3333 1 calc R U P . .
H10E H 0.6636 0.2750 0.0074 0.100 Uiso 0.3333 1 calc R U P . .
H10F H 0.6113 0.3364 0.0074 0.100 Uiso 0.3333 1 calc R U P . .
N2 N 0.138(2) 0.548(2) 0.1029(8) 0.128(7) Uiso 0.5 1 d D U P A 1
C201 C 0.111(3) 0.592(3) 0.1338(11) 0.134(10) Uiso 0.5 1 d D U P A 1
H20A H 0.0446 0.5763 0.1306 0.201 Uiso 0.5 1 calc R U P A 1
H20B H 0.1175 0.5667 0.1573 0.201 Uiso 0.5 1 calc R U P A 1
H20C H 0.1524 0.6612 0.1335 0.201 Uiso 0.5 1 calc R U P A 1
C202 C 0.130(3) 0.587(4) 0.0657(10) 0.133(8) Uiso 0.5 1 d D U P A 1
H20D H 0.0639 0.5719 0.0621 0.199 Uiso 0.5 1 calc R U P A 1
H20E H 0.1723 0.6556 0.0650 0.199 Uiso 0.5 1 calc R U P A 1
H20F H 0.1473 0.5568 0.0461 0.199 Uiso 0.5 1 calc R U P A 1
C203 C 0.072(3) 0.441(2) 0.1038(13) 0.136(10) Uiso 0.5 1 d D U P A 1
H20G H 0.0063 0.4275 0.1007 0.205 Uiso 0.5 1 calc R U P A 1
H20H H 0.0884 0.4117 0.0838 0.205 Uiso 0.5 1 calc R U P A 1
H20I H 0.0784 0.4162 0.1274 0.205 Uiso 0.5 1 calc R U P A 1
C204 C 0.241(2) 0.572(3) 0.1076(12) 0.127(11) Uiso 0.5 1 d D U P A 1
H20J H 0.2826 0.6410 0.1069 0.191 Uiso 0.5 1 calc R U P A 1
H20K H 0.2478 0.5471 0.1312 0.191 Uiso 0.5 1 calc R U P A 1
H20L H 0.2579 0.5426 0.0876 0.191 Uiso 0.5 1 calc R U P A 1
C211 C 0.130(2) 0.549(2) 0.1103(10) 0.128(7) Uiso 0.5 1 d D U P B 2
O211 O 0.156(3) 0.572(3) 0.0784(10) 0.133(8) Uiso 0.5 1 d D U P B 2
C212 C 0.182(3) 0.611(3) 0.1422(11) 0.134(10) Uiso 0.5 1 d D U P B 2
H21A H 0.1492 0.5797 0.1649 0.201 Uiso 0.5 1 calc R U P B 2
H21B H 0.2471 0.6221 0.1427 0.201 Uiso 0.5 1 calc R U P B 2
H21C H 0.1838 0.6721 0.1398 0.201 Uiso 0.5 1 calc R U P B 2
C213 C 0.041(3) 0.461(3) 0.1214(13) 0.136(10) Uiso 0.5 1 d D U P B 2
H21D H 0.0359 0.4587 0.1482 0.205 Uiso 0.5 1 calc R U P B 2
H21E H -0.0138 0.4614 0.1106 0.205 Uiso 0.5 1 calc R U P B 2
H21F H 0.0439 0.4053 0.1126 0.205 Uiso 0.5 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Ni7 2.5960(15) . ?
Pt1 Ni4 2.6054(17) . ?
Pt1 Ni5 2.6064(17) . ?
Pt1 Ni6 2.6576(18) . ?
Pt1 Pt1 2.7307(8) 11 ?
Pt1 Pt1 2.7308(8) 12 ?
Pt1 Pt3 2.7344(8) . ?
Pt1 Pt2 2.7423(7) 12 ?
Pt1 Pt1 2.7462(9) 2 ?
Pt1 Pt1 2.7463(9) 3 ?
Pt1 Pt2 2.7519(7) 2 ?
Pt2 C5 2.004(13) 3 ?
Pt2 C2 2.007(13) 11 ?
Pt2 Ni4 2.5332(17) 3 ?
Pt2 Ni5 2.5612(17) 11 ?
Pt2 Ni6 2.6636(17) 11 ?
Pt2 Ni6 2.6820(17) . ?
Pt2 Ni5 2.7076(17) 3 ?
Pt2 Pt1 2.7425(7) 11 ?
Pt2 Pt1 2.7518(7) 3 ?
Pt2 Ni7 2.8970(15) . ?
Pt3 C8 1.81(2) . ?
Pt3 Ni7 2.6826(14) . ?
Pt3 Pt7 2.6826(14) 3 ?
Pt3 Ni7 2.6826(14) 3 ?
Pt3 Pt7 2.6826(14) 2 ?
Pt3 Ni7 2.6826(14) 2 ?
Pt3 Pt1 2.7343(8) 2 ?
Pt3 Pt1 2.7343(8) 3 ?
Pt3 Ni4 2.7428(16) 2 ?
Pt3 Ni4 2.7428(16) 3 ?
Ni4 C6 1.768(14) . ?
Ni4 C5 1.848(17) . ?
Ni4 Pt2 2.5333(17) 2 ?
Ni4 Ni7 2.645(2) . ?
Ni4 Ni5 2.658(2) . ?
Ni4 Pt7 2.778(2) 2 ?
Ni4 Ni7 2.778(2) 2 ?
Ni5 C3 1.763(13) . ?
Ni5 C2 1.859(14) . ?
Ni5 Pt2 2.5612(17) 12 ?
Ni5 Ni6 2.632(2) . ?
Ni5 Pt2 2.7076(17) 2 ?
Ni5 Ni6 2.719(2) 12 ?
Ni6 C1 1.741(14) . ?
Ni6 C4 1.844(12) . ?
Ni6 Ni7 2.540(2) . ?
Ni6 Pt2 2.6636(17) 12 ?
Ni6 Ni5 2.719(2) 11 ?
Ni7 C7 1.748(15) . ?
Ni7 C4 1.873(13) . ?
Ni7 Ni4 2.778(2) 3 ?
C1 O1 1.178(16) . ?
C2 O2 1.189(16) . ?
C2 Pt2 2.007(13) 12 ?
C3 O3 1.143(15) . ?
C4 O4 1.205(15) . ?
C5 O5 1.225(17) . ?
C5 Pt2 2.004(13) 2 ?
C6 O6 1.118(17) . ?
C7 O7 1.167(18) . ?
C8 O8 1.15(3) . ?
N1 C102 1.48(3) . ?
N1 C101 1.483(15) . ?
N1 C101 1.483(15) 2_655 ?
N1 C101 1.483(15) 3_665 ?
N2 C204 1.513(12) . ?
N2 C203 1.513(12) . ?
N2 C201 1.517(12) . ?
N2 C202 1.528(12) . ?
C211 O211 1.224(19) . ?
C211 C212 1.488(19) . ?
C211 C213 1.49(2) . ?

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
Ni7 Pt1 Ni4 61.13(5) . . ?
Ni7 Pt1 Ni5 86.95(5) . . ?
Ni4 Pt1 Ni5 61.32(5) . . ?
Ni7 Pt1 Ni6 57.80(5) . . ?
Ni4 Pt1 Ni6 93.05(5) . . ?
Ni5 Pt1 Ni6 59.99(5) . . ?
Ni7 Pt1 Pt1 122.19(4) . 11 ?
Ni4 Pt1 Pt1 176.66(4) . 11 ?
Ni5 Pt1 Pt1 117.52(4) . 11 ?
Ni6 Pt1 Pt1 88.81(4) . 11 ?
Ni7 Pt1 Pt1 177.28(4) . 12 ?
Ni4 Pt1 Pt1 116.30(4) . 12 ?
Ni5 Pt1 Pt1 90.94(4) . 12 ?
Ni6 Pt1 Pt1 122.41(4) . 12 ?
Pt1 Pt1 Pt1 60.38(2) 11 12 ?
Ni7 Pt1 Pt3 60.37(3) . . ?
Ni4 Pt1 Pt3 61.76(4) . . ?
Ni5 Pt1 Pt3 122.72(4) . . ?
Ni6 Pt1 Pt3 117.83(4) . . ?
Pt1 Pt1 Pt3 119.668(17) 11 . ?
Pt1 Pt1 Pt3 119.667(17) 12 . ?
Ni7 Pt1 Pt2 116.66(4) . 12 ?
Ni4 Pt1 Pt2 118.40(4) . 12 ?
Ni5 Pt1 Pt2 57.15(4) . 12 ?
Ni6 Pt1 Pt2 59.09(4) . 12 ?
Pt1 Pt1 Pt2 60.37(2) 11 12 ?
Pt1 Pt1 Pt2 63.37(2) 12 12 ?
Pt3 Pt1 Pt2 176.78(2) . 12 ?
Ni7 Pt1 Pt1 120.15(3) . 2 ?
Ni4 Pt1 Pt1 88.32(4) . 2 ?
Ni5 Pt1 Pt1 123.67(4) . 2 ?
Ni6 Pt1 Pt1 176.21(4) . 2 ?
Pt1 Pt1 Pt1 90.0 11 2 ?
Pt1 Pt1 Pt1 59.813(12) 12 2 ?
Pt3 Pt1 Pt1 59.854(12) . 2 ?
Pt2 Pt1 Pt1 123.170(17) 12 2 ?
Ni7 Pt1 Pt1 92.22(3) . 3 ?
Ni4 Pt1 Pt1 121.52(4) . 3 ?
Ni5 Pt1 Pt1 176.03(4) . 3 ?
Ni6 Pt1 Pt1 116.37(4) . 3 ?
Pt1 Pt1 Pt1 59.813(12) 11 3 ?
Pt1 Pt1 Pt1 90.0 12 3 ?
Pt3 Pt1 Pt1 59.855(12) . 3 ?
Pt2 Pt1 Pt1 120.083(18) 12 3 ?
Pt1 Pt1 Pt1 60.0 2 3 ?
Ni7 Pt1 Pt2 117.35(4) . 2 ?
Ni4 Pt1 Pt2 56.36(4) . 2 ?
Ni5 Pt1 Pt2 60.63(4) . 2 ?
Ni6 Pt1 Pt2 120.59(4) . 2 ?
Pt1 Pt1 Pt2 120.30(2) 11 2 ?
Pt1 Pt1 Pt2 60.024(16) 12 2 ?
Pt3 Pt1 Pt2 92.507(17) . 2 ?
Pt2 Pt1 Pt2 90.059(17) 12 2 ?
Pt1 Pt1 Pt2 63.05(2) 2 2 ?
Pt1 Pt1 Pt2 123.04(2) 3 2 ?
C5 Pt2 C2 91.8(6) 3 11 ?
C5 Pt2 Ni4 46.3(5) 3 3 ?
C2 Pt2 Ni4 137.6(4) 11 3 ?
C5 Pt2 Ni5 136.9(5) 3 11 ?
C2 Pt2 Ni5 46.1(4) 11 11 ?
Ni4 Pt2 Ni5 175.64(6) 3 11 ?
C5 Pt2 Ni6 121.2(5) 3 11 ?
C2 Pt2 Ni6 70.2(4) 11 11 ?
Ni4 Pt2 Ni6 121.63(6) 3 11 ?
Ni5 Pt2 Ni6 60.46(5) 11 11 ?
C5 Pt2 Ni6 103.1(5) 3 . ?
C2 Pt2 Ni6 74.2(4) 11 . ?
Ni4 Pt2 Ni6 115.06(5) 3 . ?
Ni5 Pt2 Ni6 62.41(5) 11 . ?
Ni6 Pt2 Ni6 122.69(4) 11 . ?
C5 Pt2 Ni5 78.9(5) 3 3 ?
C2 Pt2 Ni5 113.3(4) 11 3 ?
Ni4 Pt2 Ni5 60.84(5) 3 3 ?
Ni5 Pt2 Ni5 121.19(3) 11 3 ?
Ni6 Pt2 Ni5 60.81(5) 11 3 ?
Ni6 Pt2 Ni5 172.28(5) . 3 ?
C5 Pt2 Pt1 163.9(5) 3 11 ?
C2 Pt2 Pt1 102.6(4) 11 11 ?
Ni4 Pt2 Pt1 118.41(4) 3 11 ?
Ni5 Pt2 Pt1 58.75(4) 11 11 ?
Ni6 Pt2 Pt1 58.87(4) 11 11 ?
Ni6 Pt2 Pt1 88.07(4) . 11 ?
Ni5 Pt2 Pt1 88.58(4) 3 11 ?
C5 Pt2 Pt1 104.6(5) 3 3 ?
C2 Pt2 Pt1 157.7(4) 11 3 ?
Ni4 Pt2 Pt1 58.89(4) 3 3 ?
Ni5 Pt2 Pt1 118.36(4) 11 3 ?
Ni6 Pt2 Pt1 88.24(4) 11 3 ?
Ni6 Pt2 Pt1 115.36(4) . 3 ?
Ni5 Pt2 Pt1 57.03(4) 3 3 ?
Pt1 Pt2 Pt1 59.607(19) 11 3 ?
C5 Pt2 Pt1 118.5(5) 3 . ?
C2 Pt2 Pt1 126.2(4) 11 . ?
Ni4 Pt2 Pt1 86.97(4) 3 . ?
Ni5 Pt2 Pt1 88.68(4) 11 . ?
Ni6 Pt2 Pt1 116.95(4) 11 . ?
Ni6 Pt2 Pt1 57.02(4) . . ?
Ni5 Pt2 Pt1 115.41(4) 3 . ?
Pt1 Pt2 Pt1 58.12(2) 11 . ?
Pt1 Pt2 Pt1 58.38(2) 3 . ?
C5 Pt2 Ni7 67.8(5) 3 . ?
C2 Pt2 Ni7 114.6(4) 11 . ?
Ni4 Pt2 Ni7 61.10(5) 3 . ?
Ni5 Pt2 Ni7 116.15(5) 11 . ?
Ni6 Pt2 Ni7 170.41(5) 11 . ?
Ni6 Pt2 Ni7 53.99(4) . . ?
Ni5 Pt2 Ni7 121.27(5) 3 . ?
Pt1 Pt2 Ni7 111.55(3) 11 . ?
Pt1 Pt2 Ni7 85.93(3) 3 . ?
Pt1 Pt2 Ni7 53.46(3) . . ?
C8 Pt3 Ni7 91.61(3) . . ?
C8 Pt3 Pt7 91.61(3) . 3 ?
Ni7 Pt3 Pt7 119.9 . 3 ?
C8 Pt3 Ni7 91.61(3) . 3 ?
Ni7 Pt3 Ni7 119.922(3) . 3 ?
Pt7 Pt3 Ni7 0.0 3 3 ?
C8 Pt3 Pt7 91.61(3) . 2 ?
Ni7 Pt3 Pt7 119.9 . 2 ?
Pt7 Pt3 Pt7 119.922(3) 3 2 ?
Ni7 Pt3 Pt7 119.922(3) 3 2 ?
C8 Pt3 Ni7 91.61(3) . 2 ?
Ni7 Pt3 Ni7 119.922(3) . 2 ?
Pt7 Pt3 Ni7 119.9 3 2 ?
Ni7 Pt3 Ni7 119.922(3) 3 2 ?
Pt7 Pt3 Ni7 0.0 2 2 ?
C8 Pt3 Pt1 144.560(14) . 2 ?
Ni7 Pt3 Pt1 117.48(4) . 2 ?
Pt7 Pt3 Pt1 90.62(3) 3 2 ?
Ni7 Pt3 Pt1 90.62(3) 3 2 ?
Pt7 Pt3 Pt1 57.26(3) 2 2 ?
Ni7 Pt3 Pt1 57.26(3) 2 2 ?
C8 Pt3 Pt1 144.558(14) . 3 ?
Ni7 Pt3 Pt1 90.62(3) . 3 ?
Pt7 Pt3 Pt1 57.26(3) 3 3 ?
Ni7 Pt3 Pt1 57.26(3) 3 3 ?
Pt7 Pt3 Pt1 117.48(4) 2 3 ?
Ni7 Pt3 Pt1 117.48(4) 2 3 ?
Pt1 Pt3 Pt1 60.29(2) 2 3 ?
C8 Pt3 Pt1 144.560(15) . . ?
Ni7 Pt3 Pt1 57.26(3) . . ?
Pt7 Pt3 Pt1 117.48(4) 3 . ?
Ni7 Pt3 Pt1 117.48(4) 3 . ?
Pt7 Pt3 Pt1 90.62(3) 2 . ?
Ni7 Pt3 Pt1 90.62(3) 2 . ?
Pt1 Pt3 Pt1 60.29(2) 2 . ?
Pt1 Pt3 Pt1 60.29(2) 3 . ?
C8 Pt3 Ni4 93.90(3) . 2 ?
Ni7 Pt3 Ni4 174.26(5) . 2 ?
Pt7 Pt3 Ni4 61.58(4) 3 2 ?
Ni7 Pt3 Ni4 61.58(4) 3 2 ?
Pt7 Pt3 Ni4 58.34(4) 2 2 ?
Ni7 Pt3 Ni4 58.34(4) 2 2 ?
Pt1 Pt3 Ni4 56.80(3) 2 2 ?
Pt1 Pt3 Ni4 85.83(4) 3 2 ?
Pt1 Pt3 Ni4 117.00(4) . 2 ?
C8 Pt3 Ni4 93.90(3) . 3 ?
Ni7 Pt3 Ni4 61.58(4) . 3 ?
Pt7 Pt3 Ni4 58.34(4) 3 3 ?
Ni7 Pt3 Ni4 58.34(4) 3 3 ?
Pt7 Pt3 Ni4 174.26(5) 2 3 ?
Ni7 Pt3 Ni4 174.26(5) 2 3 ?
Pt1 Pt3 Ni4 117.00(4) 2 3 ?
Pt1 Pt3 Ni4 56.80(3) 3 3 ?
Pt1 Pt3 Ni4 85.83(4) . 3 ?
Ni4 Pt3 Ni4 119.543(8) 2 3 ?
C6 Ni4 C5 99.1(6) . . ?
C6 Ni4 Pt2 150.2(5) . 2 ?
C5 Ni4 Pt2 51.6(4) . 2 ?
C6 Ni4 Pt1 141.9(5) . . ?
C5 Ni4 Pt1 115.7(4) . . ?
Pt2 Ni4 Pt1 64.74(4) 2 . ?
C6 Ni4 Ni7 83.5(5) . . ?
C5 Ni4 Ni7 167.5(5) . . ?
Pt2 Ni4 Ni7 123.84(7) 2 . ?
Pt1 Ni4 Ni7 59.26(5) . . ?
C6 Ni4 Ni5 113.8(5) . . ?
C5 Ni4 Ni5 82.8(5) . . ?
Pt2 Ni4 Ni5 62.82(5) 2 . ?
Pt1 Ni4 Ni5 59.36(5) . . ?
Ni7 Ni4 Ni5 84.91(7) . . ?
C6 Ni4 Pt3 108.1(5) . . ?
C5 Ni4 Pt3 129.8(5) . . ?
Pt2 Ni4 Pt3 97.31(5) 2 . ?
Pt1 Ni4 Pt3 61.43(4) . . ?
Ni7 Ni4 Pt3 59.69(4) . . ?
Ni5 Ni4 Pt3 120.45(7) . . ?
C6 Ni4 Pt7 114.8(5) . 2 ?
C5 Ni4 Pt7 72.4(5) . 2 ?
Pt2 Ni4 Pt7 65.92(5) 2 2 ?
Pt1 Ni4 Pt7 91.30(6) . 2 ?
Ni7 Ni4 Pt7 117.8 . 2 ?
Ni5 Ni4 Pt7 127.98(7) . 2 ?
Pt3 Ni4 Pt7 58.14(4) . 2 ?
C6 Ni4 Ni7 114.8(5) . 2 ?
C5 Ni4 Ni7 72.4(5) . 2 ?
Pt2 Ni4 Ni7 65.92(5) 2 2 ?
Pt1 Ni4 Ni7 91.30(6) . 2 ?
Ni7 Ni4 Ni7 117.83(8) . 2 ?
Ni5 Ni4 Ni7 127.98(7) . 2 ?
Pt3 Ni4 Ni7 58.14(4) . 2 ?
Pt7 Ni4 Ni7 0.0 2 2 ?
C3 Ni5 C2 99.6(6) . . ?
C3 Ni5 Pt2 150.6(5) . 12 ?
C2 Ni5 Pt2 51.0(4) . 12 ?
C3 Ni5 Pt1 141.5(5) . . ?
C2 Ni5 Pt1 112.4(4) . . ?
Pt2 Ni5 Pt1 64.09(4) 12 . ?
C3 Ni5 Ni6 112.5(5) . . ?
C2 Ni5 Ni6 72.9(4) . . ?
Pt2 Ni5 Ni6 61.70(5) 12 . ?
Pt1 Ni5 Ni6 60.97(5) . . ?
C3 Ni5 Ni4 84.5(5) . . ?
C2 Ni5 Ni4 165.2(4) . . ?
Pt2 Ni5 Ni4 123.33(7) 12 . ?
Pt1 Ni5 Ni4 59.32(5) . . ?
Ni6 Ni5 Ni4 92.44(7) . . ?
C3 Ni5 Pt2 109.9(5) . 2 ?
C2 Ni5 Pt2 133.2(4) . 2 ?
Pt2 Ni5 Pt2 95.04(5) 12 2 ?
Pt1 Ni5 Pt2 62.34(4) . 2 ?
Ni6 Ni5 Pt2 123.28(7) . 2 ?
Ni4 Ni5 Pt2 56.34(5) . 2 ?
C3 Ni5 Ni6 119.2(5) . 12 ?
C2 Ni5 Ni6 75.4(4) . 12 ?
Pt2 Ni5 Ni6 60.97(5) 12 12 ?
Pt1 Ni5 Ni6 90.13(6) . 12 ?
Ni6 Ni5 Ni6 122.49(7) . 12 ?
Ni4 Ni5 Ni6 115.12(8) . 12 ?
Pt2 Ni5 Ni6 58.79(5) 2 12 ?
C1 Ni6 C4 95.8(6) . . ?
C1 Ni6 Ni7 136.6(5) . . ?
C4 Ni6 Ni7 47.4(4) . . ?
C1 Ni6 Ni5 114.9(5) . . ?
C4 Ni6 Ni5 85.0(4) . . ?
Ni7 Ni6 Ni5 87.58(7) . . ?
C1 Ni6 Pt1 163.5(5) . . ?
C4 Ni6 Pt1 98.8(4) . . ?
Ni7 Ni6 Pt1 59.88(5) . . ?
Ni5 Ni6 Pt1 59.04(5) . . ?
C1 Ni6 Pt2 101.5(5) . 12 ?
C4 Ni6 Pt2 142.8(4) . 12 ?
Ni7 Ni6 Pt2 121.67(7) . 12 ?
Ni5 Ni6 Pt2 57.85(5) . 12 ?
Pt1 Ni6 Pt2 62.04(4) . 12 ?
C1 Ni6 Pt2 117.5(5) . . ?
C4 Ni6 Pt2 107.5(4) . . ?
Ni7 Ni6 Pt2 67.33(5) . . ?
Ni5 Ni6 Pt2 124.04(7) . . ?
Pt1 Ni6 Pt2 65.14(4) . . ?
Pt2 Ni6 Pt2 93.29(5) 12 . ?
C1 Ni6 Ni5 79.5(4) . 11 ?
C4 Ni6 Ni5 156.3(4) . 11 ?
Ni7 Ni6 Ni5 123.65(8) . 11 ?
Ni5 Ni6 Ni5 118.17(7) . 11 ?
Pt1 Ni6 Ni5 90.12(6) . 11 ?
Pt2 Ni6 Ni5 60.40(5) 12 11 ?
Pt2 Ni6 Ni5 56.62(5) . 11 ?
C7 Ni7 C4 96.5(6) . . ?
C7 Ni7 Ni6 136.9(5) . . ?
C4 Ni7 Ni6 46.4(4) . . ?
C7 Ni7 Pt1 160.8(5) . . ?
C4 Ni7 Pt1 100.1(4) . . ?
Ni6 Ni7 Pt1 62.32(5) . . ?
C7 Ni7 Ni4 110.4(6) . . ?
C4 Ni7 Ni4 92.5(4) . . ?
Ni6 Ni7 Ni4 94.87(7) . . ?
Pt1 Ni7 Ni4 59.61(5) . . ?
C7 Ni7 Pt3 98.6(5) . . ?
C4 Ni7 Pt3 153.6(4) . . ?
Ni6 Ni7 Pt3 124.30(6) . . ?
Pt1 Ni7 Pt3 62.37(3) . . ?
Ni4 Ni7 Pt3 61.97(5) . . ?
C7 Ni7 Ni4 84.5(5) . 3 ?
C4 Ni7 Ni4 143.1(4) . 3 ?
Ni6 Ni7 Ni4 111.63(7) . 3 ?
Pt1 Ni7 Ni4 87.83(5) . 3 ?
Ni4 Ni7 Ni4 121.84(7) . 3 ?
Pt3 Ni7 Ni4 60.27(4) . 3 ?
C7 Ni7 Pt2 123.8(6) . . ?
C4 Ni7 Pt2 98.9(4) . . ?
Ni6 Ni7 Pt2 58.68(5) . . ?
Pt1 Ni7 Pt2 62.83(3) . . ?
Ni4 Ni7 Pt2 122.41(6) . . ?
Pt3 Ni7 Pt2 90.44(4) . . ?
Ni4 Ni7 Pt2 52.98(4) 3 . ?
O1 C1 Ni6 175.3(12) . . ?
O2 C2 Ni5 139.5(11) . . ?
O2 C2 Pt2 137.6(11) . 12 ?
Ni5 C2 Pt2 82.9(6) . 12 ?
O3 C3 Ni5 176.1(14) . . ?
O4 C4 Ni6 137.0(11) . . ?
O4 C4 Ni7 136.7(11) . . ?
Ni6 C4 Ni7 86.2(5) . . ?
O5 C5 Ni4 140.3(12) . . ?
O5 C5 Pt2 137.5(13) . 2 ?
Ni4 C5 Pt2 82.1(6) . 2 ?
O6 C6 Ni4 174.8(15) . . ?
O7 C7 Ni7 178.6(17) . . ?
O8 C8 Pt3 180.0 . . ?
C102 N1 C101 107.7(11) . . ?
C102 N1 C101 107.7(11) . 2_655 ?
C101 N1 C101 111.2(10) . 2_655 ?
C102 N1 C101 107.7(11) . 3_665 ?
C101 N1 C101 111.2(10) . 3_665 ?
C101 N1 C101 111.2(10) 2_655 3_665 ?
C204 N2 C203 110.7(12) . . ?
C204 N2 C201 109.9(12) . . ?
C203 N2 C201 108.1(12) . . ?
C204 N2 C202 108.1(12) . . ?
C203 N2 C202 109.2(12) . . ?
C201 N2 C202 110.9(17) . . ?
O211 C211 C212 123.2(18) . . ?
O211 C211 C213 124.1(18) . . ?
C212 C211 C213 113(2) . . ?

_refine_diff_density_max         3.175
_refine_diff_density_min         -2.525
_refine_diff_density_rms         0.400





