#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/57/7035796.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7035796
loop_
_publ_author_name
'Zigon, Nicolas'
'Kyritsakas, Nathalie'
'Hosseini, Mir Wais'
_publ_section_title
;
 Molecular tectonics: heterometallic coordination networks based on a
 Pt(ii) organometallic metallatecton.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14204
_journal_page_last               14207
_journal_paper_doi               10.1039/c5dt02404h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C100 H76 Cl2 N4 Ni P4 Pt2'
_chemical_formula_sum            'C100 H76 Cl2 N4 Ni P4 Pt2'
_chemical_formula_weight         1977.32
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-27 deposited with the CCDC.
2015-07-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.794(2)
_cell_angle_beta                 93.971(2)
_cell_angle_gamma                99.038(2)
_cell_formula_units_Z            2
_cell_length_a                   11.0555(4)
_cell_length_b                   17.1663(6)
_cell_length_c                   30.4851(10)
_cell_measurement_reflns_used    9994
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.22
_cell_measurement_theta_min      2.32
_cell_volume                     5698.2(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0918
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            27043
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    2.753
_exptl_absorpt_correction_T_max  0.8746
_exptl_absorpt_correction_T_min  0.8098
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1964
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_platon_squeeze_details          ' '
_refine_diff_density_max         1.075
_refine_diff_density_min         -1.477
_refine_diff_density_rms         0.220
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     967
_refine_ls_number_reflns         27043
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.1317
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1655P)²+13.2170P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2419
_refine_ls_wR_factor_ref         0.2663
_reflns_number_gt                17104
_reflns_number_total             27043
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02404h2.cif
_cod_data_source_block           e2738a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035795--7035799.cif.
;
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035796
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni4 Ni -0.18685(10) 0.28124(6) 0.75116(4) 0.0254(2) Uani 1 1 d .
Cl1 Cl -0.0233(4) 0.2390(3) 0.79384(15) 0.0922(12) Uani 1 1 d .
Cl2 Cl -0.3450(7) 0.3277(4) 0.7105(2) 0.136(2) Uani 1 1 d .
Pt1 Pt 0.0000 0.0000 0.5000 0.02677(14) Uani 1 2 d S
P1 P -0.1383(2) 0.05985(15) 0.45833(8) 0.0314(5) Uani 1 1 d .
C1 C -0.2447(10) 0.1088(7) 0.4880(3) 0.041(2) Uani 1 1 d .
C2 C -0.2480(13) 0.1889(9) 0.4875(4) 0.067(4) Uani 1 1 d .
H2 H -0.1890 0.2225 0.4723 0.080 Uiso 1 1 calc R
C3 C -0.3377(16) 0.2214(10) 0.5091(6) 0.083(5) Uani 1 1 d .
H3 H -0.3410 0.2763 0.5085 0.100 Uiso 1 1 calc R
C4 C -0.4208(12) 0.1704(9) 0.5313(4) 0.060(4) Uani 1 1 d .
H4 H -0.4814 0.1914 0.5463 0.071 Uiso 1 1 calc R
C5 C -0.4191(10) 0.0938(10) 0.5323(3) 0.058(4) Uani 1 1 d .
H5 H -0.4788 0.0606 0.5474 0.069 Uiso 1 1 calc R
C6 C -0.3289(10) 0.0617(8) 0.5113(3) 0.049(3) Uani 1 1 d .
H6 H -0.3259 0.0068 0.5130 0.059 Uiso 1 1 calc R
C7 C -0.0449(11) 0.1369(8) 0.4287(4) 0.054(3) Uani 1 1 d .
C8 C -0.0516(16) 0.1414(10) 0.3843(5) 0.084(5) Uani 1 1 d .
H8 H -0.1072 0.1058 0.3655 0.100 Uiso 1 1 calc R
C9 C 0.036(2) 0.2076(16) 0.3674(7) 0.120(8) Uani 1 1 d .
H9 H 0.0388 0.2148 0.3367 0.144 Uiso 1 1 calc R
C10 C 0.108(2) 0.2546(15) 0.3941(9) 0.118(8) Uani 1 1 d .
H10 H 0.1605 0.2967 0.3818 0.141 Uiso 1 1 calc R
C11 C 0.116(2) 0.2494(13) 0.4377(9) 0.137(10) Uani 1 1 d .
H11 H 0.1713 0.2867 0.4556 0.165 Uiso 1 1 calc R
C12 C 0.0403(16) 0.1881(10) 0.4566(6) 0.084(5) Uani 1 1 d .
H12 H 0.0462 0.1809 0.4874 0.101 Uiso 1 1 calc R
C13 C -0.2432(9) 0.0028(8) 0.4183(3) 0.043(3) Uani 1 1 d .
C14 C -0.3239(11) 0.0396(8) 0.3928(4) 0.051(3) Uani 1 1 d .
H14 H -0.3192 0.0951 0.3963 0.061 Uiso 1 1 calc R
C15 C -0.4135(13) -0.0009(13) 0.3616(5) 0.080(5) Uani 1 1 d .
H15 H -0.4666 0.0257 0.3436 0.096 Uiso 1 1 calc R
C16 C -0.4184(12) -0.0830(13) 0.3592(4) 0.083(6) Uani 1 1 d .
H16 H -0.4757 -0.1123 0.3381 0.099 Uiso 1 1 calc R
C17 C -0.3429(10) -0.1248(11) 0.3863(5) 0.077(5) Uani 1 1 d .
H17 H -0.3498 -0.1806 0.3845 0.093 Uiso 1 1 calc R
C18 C -0.2569(9) -0.0785(8) 0.4162(4) 0.052(3) Uani 1 1 d .
H18 H -0.2064 -0.1044 0.4357 0.062 Uiso 1 1 calc R
C19 C -0.0296(10) 0.0603(7) 0.5533(3) 0.038(2) Uani 1 1 d .
C20 C -0.0520(9) 0.0973(7) 0.5854(3) 0.037(2) Uani 1 1 d .
C21 C -0.0775(8) 0.1433(6) 0.6206(3) 0.029(2) Uani 1 1 d .
C22 C 0.0118(8) 0.1852(7) 0.6499(3) 0.041(3) Uani 1 1 d .
H22 H 0.0959 0.1834 0.6461 0.049 Uiso 1 1 calc R
C23 C -0.0191(8) 0.2301(5) 0.6848(3) 0.030(2) Uani 1 1 d .
H23 H 0.0450 0.2599 0.7032 0.036 Uiso 1 1 calc R
N1 N -0.1343(6) 0.2326(4) 0.6931(2) 0.0279(16) Uani 1 1 d .
C24 C -0.2229(8) 0.1922(6) 0.6640(3) 0.037(2) Uani 1 1 d .
H24 H -0.3064 0.1951 0.6683 0.045 Uiso 1 1 calc R
C25 C -0.1987(9) 0.1489(7) 0.6298(3) 0.044(3) Uani 1 1 d .
H25 H -0.2648 0.1213 0.6113 0.053 Uiso 1 1 calc R
Pt2 Pt -0.5000 0.5000 1.0000 0.04716(19) Uani 1 2 d S
P2 P -0.3639(3) 0.4577(2) 1.05150(10) 0.0598(9) Uani 1 1 d .
C26 C -0.2870(17) 0.3787(14) 1.0344(5) 0.103(6) Uani 1 1 d .
C27 C -0.1947(17) 0.3901(17) 1.0062(6) 0.103(6) Uani 1 1 d .
H27 H -0.1656 0.4421 0.9974 0.123 Uiso 1 1 calc R
C28 C -0.140(3) 0.326(3) 0.9894(8) 0.103(6) Uani 1 1 d .
H28 H -0.0817 0.3350 0.9680 0.123 Uiso 1 1 calc R
C29 C -0.173(3) 0.253(2) 1.0040(8) 0.103(6) Uani 1 1 d .
H29 H -0.1376 0.2093 0.9944 0.123 Uiso 1 1 calc R
C30 C -0.258(3) 0.2461(14) 1.0330(11) 0.103(6) Uani 1 1 d .
H30 H -0.2754 0.1947 1.0444 0.123 Uiso 1 1 calc R
C31 C -0.3253(19) 0.2989(11) 1.0496(7) 0.103(6) Uani 1 1 d .
H31 H -0.3893 0.2851 1.0686 0.123 Uiso 1 1 calc R
C32 C -0.4324(11) 0.4219(10) 1.1009(4) 0.064(4) Uani 1 1 d .
C33 C -0.3721(16) 0.4312(14) 1.1433(5) 0.103(7) Uani 1 1 d .
H33 H -0.2886 0.4557 1.1460 0.124 Uiso 1 1 calc R
C34 C -0.4236(17) 0.4084(17) 1.1791(5) 0.129(10) Uani 1 1 d .
H34 H -0.3824 0.4226 1.2071 0.155 Uiso 1 1 calc R
C35 C -0.542(2) 0.3622(13) 1.1757(6) 0.101(6) Uani 1 1 d .
H35 H -0.5743 0.3378 1.2010 0.121 Uiso 1 1 calc R
C36 C -0.6121(15) 0.3520(9) 1.1350(6) 0.079(4) Uani 1 1 d .
H36 H -0.6943 0.3251 1.1323 0.094 Uiso 1 1 calc R
C37 C -0.5511(14) 0.3850(11) 1.0982(5) 0.079(5) Uani 1 1 d .
H37 H -0.5957 0.3809 1.0702 0.095 Uiso 1 1 calc R
C38 C -0.2402(8) 0.5360(8) 1.0696(4) 0.080(5) Uani 1 1 d G
C39 C -0.2584(9) 0.6143(8) 1.0696(5) 0.126(8) Uani 1 1 d G
H39 H -0.3354 0.6273 1.0589 0.152 Uiso 1 1 calc R
C40 C -0.1640(13) 0.6736(8) 1.0851(5) 0.163(12) Uani 1 1 d G
H40 H -0.1765 0.7271 1.0850 0.195 Uiso 1 1 calc R
C41 C -0.0514(10) 0.6546(10) 1.1006(4) 0.124(10) Uani 1 1 d G
H41 H 0.0131 0.6951 1.1112 0.148 Uiso 1 1 calc R
C42 C -0.0332(8) 0.5763(11) 1.1007(4) 0.144(11) Uani 1 1 d G
H42 H 0.0438 0.5633 1.1113 0.172 Uiso 1 1 calc R
C43 C -0.1275(10) 0.5170(8) 1.0852(4) 0.127(9) Uani 1 1 d G
H43 H -0.1151 0.4635 1.0852 0.152 Uiso 1 1 calc R
C44 C -0.4268(11) 0.4498(8) 0.9511(3) 0.051(3) Uani 1 1 d .
C45 C -0.3912(11) 0.4184(8) 0.9197(4) 0.055(3) Uani 1 1 d .
C46 C -0.3442(10) 0.3872(7) 0.8813(3) 0.044(3) Uani 1 1 d .
C47 C -0.3373(11) 0.4272(7) 0.8431(3) 0.048(3) Uani 1 1 d .
H47 H -0.3641 0.4771 0.8415 0.058 Uiso 1 1 calc R
C48 C -0.2928(10) 0.3972(6) 0.8073(3) 0.037(2) Uani 1 1 d .
H48 H -0.2885 0.4272 0.7814 0.044 Uiso 1 1 calc R
N2 N -0.2543(7) 0.3262(4) 0.8069(2) 0.0277(16) Uani 1 1 d .
C49 C -0.2593(10) 0.2868(5) 0.8449(3) 0.038(2) Uani 1 1 d .
H49 H -0.2321 0.2369 0.8456 0.045 Uiso 1 1 calc R
C50 C -0.3011(10) 0.3142(7) 0.8823(3) 0.042(3) Uani 1 1 d .
H50 H -0.3012 0.2847 0.9084 0.051 Uiso 1 1 calc R
Pt3 Pt 0.34122(3) 0.77021(2) 0.729251(14) 0.03889(14) Uani 1 1 d .
P3 P 0.4496(2) 0.72799(15) 0.67382(10) 0.0399(6) Uani 1 1 d .
C51 C 0.3531(12) 0.6764(7) 0.6289(4) 0.051(3) Uani 1 1 d .
C52 C 0.2341(14) 0.6864(8) 0.6205(5) 0.066(4) Uani 1 1 d .
H52 H 0.2059 0.7228 0.6395 0.080 Uiso 1 1 calc R
C53 C 0.151(3) 0.6522(11) 0.5892(8) 0.114(9) Uani 1 1 d .
H53 H 0.0694 0.6624 0.5858 0.137 Uiso 1 1 calc R
C54 C 0.193(3) 0.606(2) 0.5651(12) 0.114(9) Uani 1 1 d .
H54 H 0.1368 0.5786 0.5431 0.137 Uiso 1 1 calc R
C55 C 0.323(3) 0.5869(11) 0.5662(8) 0.142(10) Uani 1 1 d .
H55 H 0.3501 0.5533 0.5453 0.171 Uiso 1 1 calc R
C56 C 0.398(2) 0.6251(13) 0.6021(6) 0.103(6) Uani 1 1 d .
H56 H 0.4803 0.6152 0.6075 0.124 Uiso 1 1 calc R
C57 C 0.5488(10) 0.6569(6) 0.6909(4) 0.046(3) Uani 1 1 d .
C58 C 0.4948(12) 0.5845(7) 0.7064(5) 0.066(4) Uani 1 1 d .
H58 H 0.4086 0.5738 0.7088 0.079 Uiso 1 1 calc R
C59 C 0.5672(16) 0.5287(11) 0.7181(6) 0.101(7) Uani 1 1 d .
H59 H 0.5307 0.4812 0.7307 0.121 Uiso 1 1 calc R
C60 C 0.6848(17) 0.5391(12) 0.7123(6) 0.099(7) Uani 1 1 d .
H60 H 0.7306 0.4974 0.7174 0.118 Uiso 1 1 calc R
C61 C 0.7419(16) 0.6115(11) 0.6987(6) 0.100(7) Uani 1 1 d .
H61 H 0.8283 0.6215 0.6968 0.119 Uiso 1 1 calc R
C62 C 0.6718(15) 0.6681(9) 0.6880(6) 0.091(6) Uani 1 1 d .
H62 H 0.7110 0.7173 0.6781 0.110 Uiso 1 1 calc R
C63 C 0.5486(9) 0.8045(5) 0.6447(4) 0.038(2) Uani 1 1 d .
C64 C 0.6469(11) 0.8546(7) 0.6723(5) 0.059(3) Uani 1 1 d .
H64 H 0.6555 0.8503 0.7034 0.071 Uiso 1 1 calc R
C65 C 0.7274(12) 0.9094(9) 0.6493(5) 0.067(4) Uani 1 1 d .
H65 H 0.7972 0.9401 0.6644 0.080 Uiso 1 1 calc R
C66 C 0.7028(15) 0.9178(7) 0.6037(5) 0.078(5) Uani 1 1 d .
H66 H 0.7485 0.9599 0.5890 0.094 Uiso 1 1 calc R
C67 C 0.6115(18) 0.8647(9) 0.5797(5) 0.084(5) Uani 1 1 d .
H67 H 0.6050 0.8629 0.5485 0.101 Uiso 1 1 calc R
C68 C 0.5338(11) 0.8165(8) 0.6030(5) 0.063(3) Uani 1 1 d .
H68 H 0.4617 0.7890 0.5876 0.075 Uiso 1 1 calc R
C69 C 0.1165(7) 0.7495(5) 0.8089(3) 0.084(5) Uani 1 1 d G
C70 C 0.0104(7) 0.7172(5) 0.7837(3) 0.072(4) Uani 1 1 d G
H70 H -0.0035 0.7339 0.7545 0.086 Uiso 1 1 calc R
C71 C -0.0754(7) 0.6605(5) 0.8013(4) 0.072(4) Uani 1 1 d G
H71 H -0.1480 0.6385 0.7841 0.086 Uiso 1 1 calc R
C72 C -0.0551(9) 0.6361(6) 0.8441(4) 0.113(7) Uani 1 1 d G
H72 H -0.1138 0.5973 0.8562 0.136 Uiso 1 1 calc R
C73 C 0.0511(11) 0.6683(7) 0.8693(3) 0.125(8) Uani 1 1 d G
H73 H 0.0650 0.6516 0.8985 0.149 Uiso 1 1 calc R
C74 C 0.1369(9) 0.7251(7) 0.8516(3) 0.096(6) Uani 1 1 d G
H74 H 0.2095 0.7471 0.8688 0.116 Uiso 1 1 calc R
P4 P 0.2337(3) 0.81786(19) 0.78262(11) 0.0474(7) Uani 1 1 d .
C75 C 0.3341(9) 0.8585(6) 0.8290(3) 0.070(4) Uani 1 1 d G
C76 C 0.4275(10) 0.8181(5) 0.8443(3) 0.071(4) Uani 1 1 d G
H76 H 0.4416 0.7723 0.8289 0.086 Uiso 1 1 calc R
C77 C 0.5004(10) 0.8448(7) 0.8822(4) 0.115(7) Uani 1 1 d G
H77 H 0.5643 0.8173 0.8926 0.138 Uiso 1 1 calc R
C78 C 0.4798(12) 0.9119(7) 0.9047(3) 0.115(7) Uani 1 1 d G
H78 H 0.5296 0.9302 0.9306 0.138 Uiso 1 1 calc R
C79 C 0.3863(13) 0.9522(6) 0.8894(4) 0.115(7) Uani 1 1 d G
H79 H 0.3723 0.9981 0.9048 0.138 Uiso 1 1 calc R
C80 C 0.3135(10) 0.9255(6) 0.8515(4) 0.115(7) Uani 1 1 d G
H80 H 0.2496 0.9531 0.8411 0.138 Uiso 1 1 calc R
C81 C 0.1595(12) 0.9004(8) 0.7638(4) 0.058(3) Uani 1 1 d .
C82 C 0.0639(15) 0.9218(9) 0.7873(5) 0.080(5) Uani 1 1 d .
H82 H 0.0381 0.8938 0.8125 0.096 Uiso 1 1 calc R
C83 C 0.011(2) 0.9813(14) 0.7735(7) 0.140(11) Uani 1 1 d .
H83 H -0.0533 0.9961 0.7891 0.168 Uiso 1 1 calc R
C84 C 0.049(2) 1.0253(16) 0.7349(7) 0.136(11) Uani 1 1 d .
H84 H 0.0108 1.0688 0.7256 0.164 Uiso 1 1 calc R
C85 C 0.1340(14) 1.0037(9) 0.7141(6) 0.083(5) Uani 1 1 d .
H85 H 0.1625 1.0338 0.6898 0.100 Uiso 1 1 calc R
C86 C 0.1875(10) 0.9379(8) 0.7252(5) 0.061(4) Uani 1 1 d .
H86 H 0.2423 0.9190 0.7065 0.073 Uiso 1 1 calc R
C87 C 0.2280(10) 0.6670(7) 0.7269(4) 0.043(3) Uani 1 1 d .
C88 C 0.1617(9) 0.6047(6) 0.7256(3) 0.039(2) Uani 1 1 d .
C89 C 0.0816(8) 0.5312(5) 0.7313(3) 0.034(2) Uani 1 1 d .
C90 C 0.0669(10) 0.4997(7) 0.7710(3) 0.049(3) Uani 1 1 d .
H90 H 0.1081 0.5272 0.7963 0.059 Uiso 1 1 calc R
C91 C -0.0077(9) 0.4272(6) 0.7756(3) 0.041(2) Uani 1 1 d .
H91 H -0.0126 0.4045 0.8038 0.049 Uiso 1 1 calc R
N3 N -0.0719(7) 0.3894(4) 0.7411(2) 0.0284(16) Uani 1 1 d .
C92 C -0.0605(9) 0.4195(6) 0.7013(3) 0.037(2) Uani 1 1 d .
H92 H -0.1059 0.3916 0.6768 0.044 Uiso 1 1 calc R
C93 C 0.0133(8) 0.4886(6) 0.6943(3) 0.040(2) Uani 1 1 d .
H93 H 0.0197 0.5083 0.6655 0.048 Uiso 1 1 calc R
C94 C 0.4464(9) 0.8762(6) 0.7381(4) 0.047(3) Uani 1 1 d .
C95 C 0.5037(10) 0.9406(7) 0.7455(4) 0.050(3) Uani 1 1 d .
C96 C 0.5713(9) 1.0171(6) 0.7529(3) 0.038(2) Uani 1 1 d .
C97 C 0.5146(9) 1.0840(7) 0.7581(4) 0.047(3) Uani 1 1 d .
H97 H 0.4277 1.0781 0.7580 0.056 Uiso 1 1 calc R
C98 C 0.5854(9) 1.1594(6) 0.7633(3) 0.038(2) Uani 1 1 d .
H98 H 0.5456 1.2034 0.7688 0.045 Uiso 1 1 calc R
N4 N 0.7088(7) 1.1714(5) 0.7607(3) 0.0361(18) Uani 1 1 d .
C99 C 0.7624(9) 1.1033(6) 0.7565(4) 0.039(2) Uani 1 1 d .
H99 H 0.8492 1.1094 0.7562 0.047 Uiso 1 1 calc R
C100 C 0.6987(10) 1.0298(6) 0.7529(4) 0.049(3) Uani 1 1 d .
H100 H 0.7410 0.9861 0.7503 0.058 Uiso 1 1 calc R
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'
P P 0.1023 0.0942 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N4 Ni4 N2 89.9(3) 1_445 .
N4 Ni4 N1 87.2(3) 1_445 .
N2 Ni4 N1 175.2(3) . .
N4 Ni4 N3 176.6(3) 1_445 .
N2 Ni4 N3 92.3(3) . .
N1 Ni4 N3 90.8(3) . .
N4 Ni4 Cl2 93.8(3) 1_445 .
N2 Ni4 Cl2 87.0(3) . .
N1 Ni4 Cl2 89.4(3) . .
N3 Ni4 Cl2 88.9(3) . .
N4 Ni4 Cl1 88.0(2) 1_445 .
N2 Ni4 Cl1 91.7(2) . .
N1 Ni4 Cl1 92.1(2) . .
N3 Ni4 Cl1 89.4(2) . .
Cl2 Ni4 Cl1 177.7(2) . .
C19 Pt1 C19 180.0(3) 2_556 .
C19 Pt1 P1 90.8(3) 2_556 2_556
C19 Pt1 P1 89.2(3) . 2_556
C19 Pt1 P1 89.2(3) 2_556 .
C19 Pt1 P1 90.8(3) . .
P1 Pt1 P1 179.997(1) 2_556 .
C13 P1 C1 100.4(5) . .
C13 P1 C7 107.1(6) . .
C1 P1 C7 106.5(5) . .
C13 P1 Pt1 119.7(4) . .
C1 P1 Pt1 116.9(3) . .
C7 P1 Pt1 105.3(4) . .
C2 C1 C6 118.4(11) . .
C2 C1 P1 124.4(9) . .
C6 C1 P1 117.1(8) . .
C1 C2 C3 120.9(13) . .
C1 C2 H2 119.5 . .
C3 C2 H2 119.5 . .
C4 C3 C2 117.6(13) . .
C4 C3 H3 121.2 . .
C2 C3 H3 121.2 . .
C5 C4 C3 122.6(11) . .
C5 C4 H4 118.7 . .
C3 C4 H4 118.7 . .
C4 C5 C6 119.8(12) . .
C4 C5 H5 120.1 . .
C6 C5 H5 120.1 . .
C1 C6 C5 120.6(12) . .
C1 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
C8 C7 C12 123.2(13) . .
C8 C7 P1 123.4(13) . .
C12 C7 P1 113.3(10) . .
C7 C8 C9 113.9(18) . .
C7 C8 H8 123.0 . .
C9 C8 H8 123.0 . .
C10 C9 C8 120.6(19) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C9 C10 C11 125(2) . .
C9 C10 H10 117.3 . .
C11 C10 H10 117.3 . .
C10 C11 C12 118(2) . .
C10 C11 H11 120.8 . .
C12 C11 H11 120.8 . .
C11 C12 C7 118.4(18) . .
C11 C12 H12 120.8 . .
C7 C12 H12 120.8 . .
C14 C13 C18 118.4(10) . .
C14 C13 P1 119.3(10) . .
C18 C13 P1 121.7(8) . .
C13 C14 C15 123.5(14) . .
C13 C14 H14 118.3 . .
C15 C14 H14 118.3 . .
C16 C15 C14 115.4(14) . .
C16 C15 H15 122.3 . .
C14 C15 H15 122.3 . .
C15 C16 C17 123.9(13) . .
C15 C16 H16 118.1 . .
C17 C16 H16 118.1 . .
C18 C17 C16 115.9(16) . .
C18 C17 H17 122.0 . .
C16 C17 H17 122.0 . .
C13 C18 C17 122.7(13) . .
C13 C18 H18 118.7 . .
C17 C18 H18 118.7 . .
C20 C19 Pt1 177.7(9) . .
C19 C20 C21 176.9(11) . .
C22 C21 C20 124.0(9) . .
C22 C21 C25 114.5(9) . .
C20 C21 C25 121.5(9) . .
C21 C22 C23 121.5(8) . .
C21 C22 H22 119.2 . .
C23 C22 H22 119.2 . .
N1 C23 C22 122.4(8) . .
N1 C23 H23 118.8 . .
C22 C23 H23 118.8 . .
C23 N1 C24 116.3(8) . .
C23 N1 Ni4 124.1(6) . .
C24 N1 Ni4 119.2(6) . .
C25 C24 N1 123.8(9) . .
C25 C24 H24 118.1 . .
N1 C24 H24 118.1 . .
C24 C25 C21 121.4(9) . .
C24 C25 H25 119.3 . .
C21 C25 H25 119.3 . .
C44 Pt2 C44 180.0(7) . 2_467
C44 Pt2 P2 91.6(3) . .
C44 Pt2 P2 88.4(3) 2_467 .
C44 Pt2 P2 88.4(3) . 2_467
C44 Pt2 P2 91.6(3) 2_467 2_467
P2 Pt2 P2 179.998(2) . 2_467
C26 P2 C32 103.7(8) . .
C26 P2 C38 104.2(9) . .
C32 P2 C38 105.6(6) . .
C26 P2 Pt2 116.5(5) . .
C32 P2 Pt2 113.9(4) . .
C38 P2 Pt2 111.9(4) . .
C27 C26 C31 118.0(19) . .
C27 C26 P2 122.2(19) . .
C31 C26 P2 119.8(14) . .
C26 C27 C28 122(3) . .
C26 C27 H27 118.9 . .
C28 C27 H27 118.9 . .
C29 C28 C27 120(2) . .
C29 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C30 C29 C28 115(2) . .
C30 C29 H29 122.4 . .
C28 C29 H29 122.4 . .
C29 C30 C31 132(3) . .
C29 C30 H30 113.8 . .
C31 C30 H30 113.8 . .
C30 C31 C26 112(2) . .
C30 C31 H31 124.0 . .
C26 C31 H31 124.0 . .
C37 C32 C33 116.3(14) . .
C37 C32 P2 119.3(10) . .
C33 C32 P2 124.3(13) . .
C34 C33 C32 124.2(19) . .
C34 C33 H33 117.9 . .
C32 C33 H33 117.9 . .
C33 C34 C35 119.0(19) . .
C33 C34 H34 120.5 . .
C35 C34 H34 120.5 . .
C34 C35 C36 120.7(16) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C35 C36 C37 115.3(16) . .
C35 C36 H36 122.3 . .
C37 C36 H36 122.3 . .
C32 C37 C36 123.6(14) . .
C32 C37 H37 118.2 . .
C36 C37 H37 118.2 . .
C39 C38 C43 120.0 . .
C39 C38 P2 120.6(7) . .
C43 C38 P2 119.3(7) . .
C38 C39 C40 120.0 . .
C38 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C39 C40 C41 120.0 . .
C39 C40 H40 120.0 . .
C41 C40 H40 120.0 . .
C42 C41 C40 120.0 . .
C42 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
C41 C42 C43 120.0 . .
C41 C42 H42 120.0 . .
C43 C42 H42 120.0 . .
C42 C43 C38 120.0 . .
C42 C43 H43 120.0 . .
C38 C43 H43 120.0 . .
C45 C44 Pt2 174.9(10) . .
C44 C45 C46 175.4(15) . .
C47 C46 C50 117.3(10) . .
C47 C46 C45 121.8(10) . .
C50 C46 C45 120.9(10) . .
C48 C47 C46 121.1(11) . .
C48 C47 H47 119.4 . .
C46 C47 H47 119.4 . .
N2 C48 C47 122.9(9) . .
N2 C48 H48 118.6 . .
C47 C48 H48 118.6 . .
C49 N2 C48 116.3(8) . .
C49 N2 Ni4 121.7(6) . .
C48 N2 Ni4 122.0(6) . .
N2 C49 C50 123.9(9) . .
N2 C49 H49 118.1 . .
C50 C49 H49 118.1 . .
C49 C50 C46 118.6(9) . .
C49 C50 H50 120.7 . .
C46 C50 H50 120.7 . .
C87 Pt3 C94 173.4(5) . .
C87 Pt3 P4 90.9(3) . .
C94 Pt3 P4 82.7(4) . .
C87 Pt3 P3 91.1(3) . .
C94 Pt3 P3 95.4(4) . .
P4 Pt3 P3 177.22(10) . .
C51 P3 C57 102.8(6) . .
C51 P3 C63 102.0(5) . .
C57 P3 C63 105.0(5) . .
C51 P3 Pt3 113.7(4) . .
C57 P3 Pt3 114.3(4) . .
C63 P3 Pt3 117.3(3) . .
C52 C51 C56 117.6(14) . .
C52 C51 P3 122.1(11) . .
C56 C51 P3 120.3(12) . .
C53 C52 C51 129.1(19) . .
C53 C52 H52 115.4 . .
C51 C52 H52 115.4 . .
C54 C53 C52 113(3) . .
C54 C53 H53 123.6 . .
C52 C53 H53 123.6 . .
C53 C54 C55 128(3) . .
C53 C54 H54 115.8 . .
C55 C54 H54 115.8 . .
C56 C55 C54 112(2) . .
C56 C55 H55 123.9 . .
C54 C55 H55 123.9 . .
C51 C56 C55 120(2) . .
C51 C56 H56 120.2 . .
C55 C56 H56 120.2 . .
C62 C57 C58 117.1(11) . .
C62 C57 P3 124.4(9) . .
C58 C57 P3 118.4(9) . .
C59 C58 C57 119.6(13) . .
C59 C58 H58 120.2 . .
C57 C58 H58 120.2 . .
C60 C59 C58 121.9(14) . .
C60 C59 H59 119.1 . .
C58 C59 H59 119.1 . .
C59 C60 C61 119.6(13) . .
C59 C60 H60 120.2 . .
C61 C60 H60 120.2 . .
C62 C61 C60 118.8(15) . .
C62 C61 H61 120.6 . .
C60 C61 H61 120.6 . .
C57 C62 C61 122.6(14) . .
C57 C62 H62 118.7 . .
C61 C62 H62 118.7 . .
C68 C63 C64 120.3(10) . .
C68 C63 P3 123.8(9) . .
C64 C63 P3 115.9(8) . .
C65 C64 C63 115.4(12) . .
C65 C64 H64 122.3 . .
C63 C64 H64 122.3 . .
C66 C65 C64 119.4(14) . .
C66 C65 H65 120.3 . .
C64 C65 H65 120.3 . .
C65 C66 C67 120.8(11) . .
C65 C66 H66 119.6 . .
C67 C66 H66 119.6 . .
C68 C67 C66 116.9(14) . .
C68 C67 H67 121.6 . .
C66 C67 H67 121.6 . .
C63 C68 C67 125.6(14) . .
C63 C68 H68 117.2 . .
C67 C68 H68 117.2 . .
C70 C69 C74 120.0 . .
C70 C69 P4 118.4(5) . .
C74 C69 P4 121.3(5) . .
C69 C70 C71 120.0 . .
C69 C70 H70 120.0 . .
C71 C70 H70 120.0 . .
C72 C71 C70 120.0 . .
C72 C71 H71 120.0 . .
C70 C71 H71 120.0 . .
C71 C72 C73 120.0 . .
C71 C72 H72 120.0 . .
C73 C72 H72 120.0 . .
C74 C73 C72 120.0 . .
C74 C73 H73 120.0 . .
C72 C73 H73 120.0 . .
C73 C74 C69 120.0 . .
C73 C74 H74 120.0 . .
C69 C74 H74 120.0 . .
C75 P4 C81 103.9(6) . .
C75 P4 C69 102.2(5) . .
C81 P4 C69 106.5(5) . .
C75 P4 Pt3 111.3(4) . .
C81 P4 Pt3 112.3(4) . .
C69 P4 Pt3 119.2(4) . .
C76 C75 C80 120.0 . .
C76 C75 P4 118.8(6) . .
C80 C75 P4 121.0(6) . .
C77 C76 C75 120.0 . .
C77 C76 H76 120.0 . .
C75 C76 H76 120.0 . .
C76 C77 C78 120.0 . .
C76 C77 H77 120.0 . .
C78 C77 H77 120.0 . .
C77 C78 C79 120.0 . .
C77 C78 H78 120.0 . .
C79 C78 H78 120.0 . .
C78 C79 C80 120.0 . .
C78 C79 H79 120.0 . .
C80 C79 H79 120.0 . .
C79 C80 C75 120.0 . .
C79 C80 H80 120.0 . .
C75 C80 H80 120.0 . .
C86 C81 C82 119.1(11) . .
C86 C81 P4 121.7(9) . .
C82 C81 P4 119.1(10) . .
C83 C82 C81 118.6(15) . .
C83 C82 H82 120.7 . .
C81 C82 H82 120.7 . .
C82 C83 C84 121.9(16) . .
C82 C83 H83 119.0 . .
C84 C83 H83 119.0 . .
C85 C84 C83 118.0(16) . .
C85 C84 H84 121.0 . .
C83 C84 H84 121.0 . .
C84 C85 C86 122.8(15) . .
C84 C85 H85 118.6 . .
C86 C85 H85 118.6 . .
C81 C86 C85 119.0(12) . .
C81 C86 H86 120.5 . .
C85 C86 H86 120.5 . .
C88 C87 Pt3 179.0(10) . .
C87 C88 C89 171.0(11) . .
C90 C89 C93 117.0(9) . .
C90 C89 C88 122.1(9) . .
C93 C89 C88 120.9(9) . .
C89 C90 C91 121.1(9) . .
C89 C90 H90 119.4 . .
C91 C90 H90 119.4 . .
N3 C91 C90 120.9(9) . .
N3 C91 H91 119.6 . .
C90 C91 H91 119.6 . .
C91 N3 C92 119.4(8) . .
C91 N3 Ni4 118.5(6) . .
C92 N3 Ni4 122.1(6) . .
N3 C92 C93 122.7(9) . .
N3 C92 H92 118.6 . .
C93 C92 H92 118.6 . .
C92 C93 C89 118.8(9) . .
C92 C93 H93 120.6 . .
C89 C93 H93 120.6 . .
C95 C94 Pt3 175.4(12) . .
C94 C95 C96 178.4(13) . .
C100 C96 C97 116.9(9) . .
C100 C96 C95 120.6(10) . .
C97 C96 C95 122.5(10) . .
C98 C97 C96 120.5(9) . .
C98 C97 H97 119.7 . .
C96 C97 H97 119.7 . .
N4 C98 C97 121.9(9) . .
N4 C98 H98 119.0 . .
C97 C98 H98 119.0 . .
C98 N4 C99 115.8(8) . .
C98 N4 Ni4 123.9(7) . 1_665
C99 N4 Ni4 119.3(6) . 1_665
C100 C99 N4 124.1(9) . .
C100 C99 H99 118.0 . .
N4 C99 H99 118.0 . .
C99 C100 C96 120.6(10) . .
C99 C100 H100 119.7 . .
C96 C100 H100 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni4 N4 2.086(8) 1_445
Ni4 N2 2.088(7) .
Ni4 N1 2.102(7) .
Ni4 N3 2.118(7) .
Ni4 Cl2 2.322(8) .
Ni4 Cl1 2.366(5) .
Pt1 C19 1.987(10) 2_556
Pt1 C19 1.987(10) .
Pt1 P1 2.295(2) 2_556
Pt1 P1 2.295(2) .
P1 C13 1.791(11) .
P1 C1 1.828(11) .
P1 C7 1.835(11) .
C1 C2 1.380(18) .
C1 C6 1.378(15) .
C2 C3 1.408(18) .
C2 H2 0.9500 .
C3 C4 1.38(2) .
C3 H3 0.9500 .
C4 C5 1.32(2) .
C4 H4 0.9500 .
C5 C6 1.401(16) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.355(19) .
C7 C12 1.41(2) .
C8 C9 1.50(3) .
C8 H8 0.9500 .
C9 C10 1.28(3) .
C9 H9 0.9500 .
C10 C11 1.33(3) .
C10 H10 0.9500 .
C11 C12 1.39(2) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.375(16) .
C13 C18 1.381(18) .
C14 C15 1.416(19) .
C14 H14 0.9500 .
C15 C16 1.40(2) .
C15 H15 0.9500 .
C16 C17 1.42(2) .
C16 H16 0.9500 .
C17 C18 1.410(17) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.221(14) .
C20 C21 1.394(14) .
C21 C22 1.387(14) .
C21 C25 1.405(12) .
C22 C23 1.398(14) .
C22 H22 0.9500 .
C23 N1 1.323(11) .
C23 H23 0.9500 .
N1 C24 1.371(12) .
C24 C25 1.339(14) .
C24 H24 0.9500 .
C25 H25 0.9500 .
Pt2 C44 1.992(11) .
Pt2 C44 1.992(11) 2_467
Pt2 P2 2.303(3) .
Pt2 P2 2.303(3) 2_467
P2 C26 1.799(17) .
P2 C32 1.804(14) .
P2 C38 1.812(10) .
C26 C27 1.37(2) .
C26 C31 1.46(3) .
C27 C28 1.44(4) .
C27 H27 0.9500 .
C28 C29 1.33(5) .
C28 H28 0.9500 .
C29 C30 1.33(4) .
C29 H29 0.9500 .
C30 C31 1.37(3) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C37 1.36(2) .
C32 C33 1.409(19) .
C33 C34 1.30(2) .
C33 H33 0.9500 .
C34 C35 1.42(3) .
C34 H34 0.9500 .
C35 C36 1.41(2) .
C35 H35 0.9500 .
C36 C37 1.43(2) .
C36 H36 0.9500 .
C37 H37 0.9500 .
C38 C39 1.3900 .
C38 C43 1.3900 .
C39 C40 1.3900 .
C39 H39 0.9500 .
C40 C41 1.3900 .
C40 H40 0.9500 .
C41 C42 1.3900 .
C41 H41 0.9500 .
C42 C43 1.3900 .
C42 H42 0.9500 .
C43 H43 0.9500 .
C44 C45 1.212(16) .
C45 C46 1.443(16) .
C46 C47 1.361(15) .
C46 C50 1.409(15) .
C47 C48 1.355(14) .
C47 H47 0.9500 .
C48 N2 1.352(12) .
C48 H48 0.9500 .
N2 C49 1.349(12) .
C49 C50 1.365(14) .
C49 H49 0.9500 .
C50 H50 0.9500 .
Pt3 C87 2.000(11) .
Pt3 C94 2.004(9) .
Pt3 P4 2.295(3) .
Pt3 P3 2.310(3) .
P3 C51 1.806(13) .
P3 C57 1.823(10) .
P3 C63 1.851(9) .
C51 C52 1.361(19) .
C51 C56 1.37(2) .
C52 C53 1.34(3) .
C52 H52 0.9500 .
C53 C54 1.24(5) .
C53 H53 0.9500 .
C54 C55 1.52(4) .
C54 H54 0.9500 .
C55 C56 1.42(3) .
C55 H55 0.9500 .
C56 H56 0.9500 .
C57 C62 1.352(18) .
C57 C58 1.395(15) .
C58 C59 1.378(19) .
C58 H58 0.9500 .
C59 C60 1.31(2) .
C59 H59 0.9500 .
C60 C61 1.38(2) .
C60 H60 0.9500 .
C61 C62 1.364(19) .
C61 H61 0.9500 .
C62 H62 0.9500 .
C63 C68 1.293(17) .
C63 C64 1.480(17) .
C64 C65 1.419(17) .
C64 H64 0.9500 .
C65 C66 1.41(2) .
C65 H65 0.9500 .
C66 C67 1.41(2) .
C66 H66 0.9500 .
C67 C68 1.343(18) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 C70 1.3900 .
C69 C74 1.3900 .
C69 P4 1.840(7) .
C70 C71 1.3900 .
C70 H70 0.9500 .
C71 C72 1.3900 .
C71 H71 0.9500 .
C72 C73 1.3900 .
C72 H72 0.9500 .
C73 C74 1.3900 .
C73 H73 0.9500 .
C74 H74 0.9500 .
P4 C75 1.796(8) .
P4 C81 1.825(12) .
C75 C76 1.3900 .
C75 C80 1.3900 .
C76 C77 1.3900 .
C76 H76 0.9500 .
C77 C78 1.3900 .
C77 H77 0.9500 .
C78 C79 1.3900 .
C78 H78 0.9500 .
C79 C80 1.3900 .
C79 H79 0.9500 .
C80 H80 0.9500 .
C81 C86 1.381(17) .
C81 C82 1.407(17) .
C82 C83 1.31(2) .
C82 H82 0.9500 .
C83 C84 1.46(3) .
C83 H83 0.9500 .
C84 C85 1.27(2) .
C84 H84 0.9500 .
C85 C86 1.389(17) .
C85 H85 0.9500 .
C86 H86 0.9500 .
C87 C88 1.196(14) .
C88 C89 1.443(12) .
C89 C90 1.340(14) .
C89 C93 1.436(14) .
C90 C91 1.397(14) .
C90 H90 0.9500 .
C91 N3 1.328(12) .
C91 H91 0.9500 .
N3 C92 1.330(12) .
C92 C93 1.358(13) .
C92 H92 0.9500 .
C93 H93 0.9500 .
C94 C95 1.195(15) .
C95 C96 1.412(15) .
C96 C100 1.391(14) .
C96 C97 1.402(15) .
C97 C98 1.405(14) .
C97 H97 0.9500 .
C98 N4 1.355(12) .
C98 H98 0.9500 .
N4 C99 1.399(13) .
N4 Ni4 2.086(8) 1_665
C99 C100 1.344(14) .
C99 H99 0.9500 .
C100 H100 0.9500 .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.011 -0.006 0.006 2001 626 ' '
