#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:58:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179771 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/67/7006795.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_7006795
loop_
_publ_author_name
'de Silva, Namal'
'Nichiporuk, Rita V.'
'Dahl, Lawrence F.'
_publ_section_title
;
 Syntheses and structural analyses of variable-stoichiometric Au-Pt-Ni
 carbonyl/phosphine clusters,
 Pt3(Pt(1-x)Ni(x))(AuPPh3)2(mu2-CO)4(CO)(PPh3)3 and
 Pt2(Pt(2-y)Ni(y))(AuPPh3)2(mu2-CO)4(CO)2(PPh3)2, with ligation-induced
 site-specific Pt/Ni substitutional disorder within butterfly-based
 Pt3(Pt(1-x)Ni(x))Au2 and Pt2(Pt(2-y)Ni(y))Au2 core-geometries.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2291
_journal_page_last               2300
_journal_paper_doi               10.1039/b514105m
_journal_year                    2006
_chemical_formula_moiety
;
Pt2Pt(2-y)Ni(y)Au2(PPh3)4(CO)6.MeCN (Crystal 2B)
y = 0.64
;
_chemical_formula_sum            'C82 H66 Au2 N2 Ni0.64 O6 P4 Pt3.36'
_chemical_formula_weight         2386.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 125.4820(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.9388(9)
_cell_length_b                   16.0007(4)
_cell_length_c                   19.5022(7)
_cell_measurement_temperature    173(2)
_cell_volume                     7607.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            34156
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    10.290
_exptl_absorpt_correction_T_max  0.4932
_exptl_absorpt_correction_T_min  0.0754
_exptl_crystal_colour            red/orange
_exptl_crystal_density_diffrn    2.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4472
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.648
_refine_diff_density_min         -2.058
_refine_diff_density_rms         0.627
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.227
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         9356
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.227
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0419P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0641
_refine_ls_wR_factor_ref         0.0802
_reflns_number_gt                8117
_reflns_number_total             9356
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b514105m.txt
_cod_data_source_block           dahl254
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7006795
loop_
_symmetry_equiv_pos_as_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'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.050213(7) 0.891996(11) 0.755954(11) 0.01972(5) Uani 1 1 d . . .
N1 N 0.2918(3) 0.7474(4) 0.7254(4) 0.0612(17) Uani 1 1 d . . .
Ni2 Ni 0.030865(9) 0.778324(13) 0.841136(14) 0.01615(6) Uani 0.32 1 d P . 2
O1 O 0.12608(13) 0.6632(2) 0.94834(19) 0.0243(7) Uani 1 1 d . . .
O2 O 0.00620(15) 0.6784(2) 0.5690(2) 0.0324(8) Uani 1 1 d . . .
O3 O 0.08101(17) 0.8958(3) 0.9851(3) 0.0439(10) Uani 1 1 d . . .
P1 P 0.11861(5) 0.58510(7) 0.77697(7) 0.0182(2) Uani 1 1 d . . .
P2 P 0.09319(5) 1.00651(7) 0.74936(7) 0.0189(2) Uani 1 1 d . . .
Pt1 Pt 0.058581(7) 0.684308(11) 0.757259(10) 0.01632(5) Uani 1 1 d . . .
Pt2 Pt 0.030865(9) 0.778324(13) 0.841136(14) 0.01615(6) Uani 0.68 1 d P . 1
C1 C 0.09224(19) 0.6916(3) 0.8827(3) 0.0208(9) Uani 1 1 d . . .
C2 C 0.01309(19) 0.6980(3) 0.6321(3) 0.0227(10) Uani 1 1 d . . .
C3 C 0.0615(2) 0.8515(3) 0.9293(4) 0.0336(12) Uani 1 1 d . . .
C4 C 0.10742(6) 0.48290(6) 0.80701(8) 0.0225(9) Uani 1 1 d G . .
C5 C 0.13671(6) 0.41294(6) 0.81202(9) 0.0294(11) Uani 1 1 d G . .
H5 H 0.1611 0.4169 0.7973 0.035 Uiso 1 1 calc R . .
C6 C 0.12951(7) 0.33702(6) 0.83907(10) 0.0370(13) Uani 1 1 d G . .
H6 H 0.1491 0.2902 0.8424 0.044 Uiso 1 1 calc R . .
C7 C 0.09302(7) 0.33107(6) 0.86111(11) 0.0401(14) Uani 1 1 d G . .
H7 H 0.0882 0.2803 0.8792 0.048 Uiso 1 1 calc R . .
C8 C 0.06374(7) 0.40103(7) 0.85610(11) 0.0442(15) Uani 1 1 d G . .
H8 H 0.0393 0.3971 0.8708 0.053 Uiso 1 1 calc R . .
C9 C 0.07093(6) 0.47695(6) 0.82905(10) 0.0320(11) Uani 1 1 d G . .
H9 H 0.0513 0.5238 0.8257 0.038 Uiso 1 1 calc R . .
C10 C 0.12264(5) 0.55829(6) 0.68902(7) 0.0262(10) Uani 1 1 d G . .
C11 C 0.07903(6) 0.51431(6) 0.62177(7) 0.0402(14) Uani 1 1 d G . .
H11 H 0.0488 0.5006 0.6217 0.048 Uiso 1 1 calc R . .
C12 C 0.08056(7) 0.49076(7) 0.55456(8) 0.0532(18) Uani 1 1 d G . .
H12 H 0.0514 0.4613 0.5096 0.064 Uiso 1 1 calc R . .
C13 C 0.12569(8) 0.51119(7) 0.55459(8) 0.058(2) Uani 1 1 d G . .
H13 H 0.1267 0.4954 0.5096 0.069 Uiso 1 1 calc R . .
C14 C 0.16930(7) 0.55517(7) 0.62184(8) 0.065(2) Uani 1 1 d G . .
H14 H 0.1995 0.5688 0.6219 0.078 Uiso 1 1 calc R . .
C15 C 0.16778(6) 0.57872(6) 0.68906(7) 0.0420(15) Uani 1 1 d G . .
H15 H 0.1970 0.6081 0.7341 0.050 Uiso 1 1 calc R . .
C16 C 0.18891(4) 0.61388(6) 0.86294(6) 0.0182(9) Uani 1 1 d G . .
C17 C 0.22405(5) 0.56131(6) 0.93018(7) 0.0264(10) Uani 1 1 d G . .
H17 H 0.2123 0.5083 0.9328 0.032 Uiso 1 1 calc R . .
C18 C 0.27671(5) 0.58792(7) 0.99353(7) 0.0294(11) Uani 1 1 d G . .
H18 H 0.3002 0.5527 1.0385 0.035 Uiso 1 1 calc R . .
C19 C 0.29424(4) 0.66708(7) 0.98964(7) 0.0289(11) Uani 1 1 d G . .
H19 H 0.3295 0.6849 1.0320 0.035 Uiso 1 1 calc R . .
C20 C 0.25911(4) 0.71965(6) 0.92240(7) 0.0308(12) Uani 1 1 d G . .
H20 H 0.2708 0.7726 0.9198 0.037 Uiso 1 1 calc R . .
C21 C 0.20644(4) 0.69305(6) 0.85905(6) 0.0268(10) Uani 1 1 d G . .
H21 H 0.1829 0.7282 0.8141 0.032 Uiso 1 1 calc R . .
C22 C 0.13934(4) 0.97906(6) 0.72035(6) 0.0223(9) Uani 1 1 d G . .
C23 C 0.16558(4) 0.90205(6) 0.74718(6) 0.0468(17) Uani 1 1 d G . .
H23 H 0.1583 0.8659 0.7769 0.056 Uiso 1 1 calc R . .
C24 C 0.20276(4) 0.87909(6) 0.72966(7) 0.056(2) Uani 1 1 d G . .
H24 H 0.2203 0.8276 0.7476 0.067 Uiso 1 1 calc R . .
C25 C 0.21369(5) 0.93314(7) 0.68530(9) 0.0324(12) Uani 1 1 d G . .
H25 H 0.2386 0.9178 0.6736 0.039 Uiso 1 1 calc R . .
C26 C 0.18745(6) 1.01015(7) 0.65847(8) 0.0308(11) Uani 1 1 d G . .
H26 H 0.1948 1.0463 0.6288 0.037 Uiso 1 1 calc R . .
C27 C 0.15028(5) 1.03311(6) 0.67600(7) 0.0257(10) Uani 1 1 d G . .
H27 H 0.1327 1.0846 0.6580 0.031 Uiso 1 1 calc R . .
C28 C 0.13613(5) 1.06674(6) 0.84699(7) 0.0206(9) Uani 1 1 d G . .
C29 C 0.18715(5) 1.09782(6) 0.87342(8) 0.0261(10) Uani 1 1 d G . .
H29 H 0.1999 1.0901 0.8403 0.031 Uiso 1 1 calc R . .
C30 C 0.21915(6) 1.14047(6) 0.94943(8) 0.0301(11) Uani 1 1 d G . .
H30 H 0.2533 1.1613 0.9671 0.036 Uiso 1 1 calc R . .
C31 C 0.20013(7) 1.15204(7) 0.99900(8) 0.0320(12) Uani 1 1 d G . .
H31 H 0.2215 1.1806 1.0499 0.038 Uiso 1 1 calc R . .
C32 C 0.14911(7) 1.12096(7) 0.97256(9) 0.0297(11) Uani 1 1 d G . .
H32 H 0.1364 1.1287 1.0057 0.036 Uiso 1 1 calc R . .
C33 C 0.11711(6) 1.07831(6) 0.89656(8) 0.0269(10) Uani 1 1 d G . .
H33 H 0.0830 1.0575 0.8789 0.032 Uiso 1 1 calc R . .
C34 C 0.04669(5) 1.08423(6) 0.67077(8) 0.0225(10) Uani 1 1 d G . .
C35 C 0.00739(5) 1.05635(7) 0.58946(8) 0.0292(11) Uani 1 1 d G . .
H35 H 0.0047 0.9997 0.5769 0.035 Uiso 1 1 calc R . .
C36 C -0.02784(5) 1.11313(8) 0.52692(9) 0.0362(13) Uani 1 1 d G . .
H36 H -0.0541 1.0945 0.4725 0.043 Uiso 1 1 calc R . .
C37 C -0.02378(6) 1.19778(8) 0.54569(10) 0.0406(14) Uani 1 1 d G . .
H37 H -0.0474 1.2358 0.5038 0.049 Uiso 1 1 calc R . .
C38 C 0.01552(6) 1.22567(7) 0.62701(10) 0.0443(15) Uani 1 1 d G . .
H38 H 0.0182 1.2823 0.6396 0.053 Uiso 1 1 calc R . .
C39 C 0.05075(6) 1.16889(6) 0.68954(9) 0.0340(12) Uani 1 1 d G . .
H39 H 0.0770 1.1875 0.7439 0.041 Uiso 1 1 calc R . .
C40 C 0.32472(5) 0.76139(8) 0.79411(11) 0.0396(14) Uani 1 1 d G . .
C41 C 0.36625(4) 0.78148(9) 0.88042(12) 0.074(3) Uani 1 1 d G . .
H41A H 0.4014 0.7826 0.8896 0.110 Uiso 1 1 calc R . .
H41B H 0.3664 0.7400 0.9162 0.110 Uiso 1 1 calc R . .
H41C H 0.3587 0.8353 0.8933 0.110 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Au Au -2.0133 8.8022 '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'
H H 0.0000 0.0000 '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
_geom_angle_publ_flag
P2 Au1 Pt2 142.98(3) . 2_556 ?
P2 Au1 Ni2 142.98(3) . 2_556 ?
Pt2 Au1 Ni2 0.000(12) 2_556 2_556 ?
P2 Au1 Ni2 152.84(3) . . ?
Pt2 Au1 Ni2 64.071(9) 2_556 . ?
Ni2 Au1 Ni2 64.071(9) 2_556 . ?
P2 Au1 Au1 126.26(3) . 2_556 ?
Pt2 Au1 Au1 58.484(7) 2_556 2_556 ?
Ni2 Au1 Au1 58.484(7) 2_556 2_556 ?
Ni2 Au1 Au1 58.046(6) . 2_556 ?
C3 Ni2 C1 102.5(2) . . ?
C3 Ni2 C2 101.6(2) . 2_556 ?
C1 Ni2 C2 91.94(18) . 2_556 ?
C3 Ni2 Pt1 141.44(16) . 2_556 ?
C1 Ni2 Pt1 101.33(13) . 2_556 ?
C2 Ni2 Pt1 47.64(13) 2_556 2_556 ?
C3 Ni2 Pt1 140.30(16) . . ?
C1 Ni2 Pt1 48.74(13) . . ?
C2 Ni2 Pt1 105.47(13) 2_556 . ?
Pt1 Ni2 Pt1 77.430(9) 2_556 . ?
C3 Ni2 Au1 89.09(16) . 2_556 ?
C1 Ni2 Au1 162.63(13) . 2_556 ?
C2 Ni2 Au1 98.42(13) 2_556 2_556 ?
Pt1 Ni2 Au1 76.123(8) 2_556 2_556 ?
Pt1 Ni2 Au1 114.567(9) . 2_556 ?
C3 Ni2 Au1 88.76(16) . . ?
C1 Ni2 Au1 103.41(13) . . ?
C2 Ni2 Au1 159.24(13) 2_556 . ?
Pt1 Ni2 Au1 114.458(9) 2_556 . ?
Pt1 Ni2 Au1 75.747(8) . . ?
Au1 Ni2 Au1 63.467(9) 2_556 . ?
C3 Ni2 Ni2 140.14(16) . 2_556 ?
C1 Ni2 Ni2 105.71(13) . 2_556 ?
C2 Ni2 Ni2 104.92(13) 2_556 2_556 ?
Pt1 Ni2 Ni2 57.357(7) 2_556 2_556 ?
Pt1 Ni2 Ni2 57.036(7) . 2_556 ?
Au1 Ni2 Ni2 58.180(7) 2_556 2_556 ?
Au1 Ni2 Ni2 57.748(7) . 2_556 ?
C4 P1 C16 104.94(8) . . ?
C4 P1 C10 102.31(7) . . ?
C16 P1 C10 104.46(8) . . ?
C4 P1 Pt1 114.01(7) . . ?
C16 P1 Pt1 110.93(6) . . ?
C10 P1 Pt1 118.82(7) . . ?
C22 P2 C34 104.39(7) . . ?
C22 P2 C28 104.33(8) . . ?
C34 P2 C28 104.25(7) . . ?
C22 P2 Au1 112.14(6) . . ?
C34 P2 Au1 114.34(7) . . ?
C28 P2 Au1 116.18(6) . . ?
C2 Pt1 C1 166.11(19) . . ?
C2 Pt1 P1 101.28(14) . . ?
C1 Pt1 P1 92.61(14) . . ?
C2 Pt1 Pt2 51.24(14) . 2_556 ?
C1 Pt1 Pt2 114.89(13) . 2_556 ?
P1 Pt1 Pt2 152.19(3) . 2_556 ?
C2 Pt1 Ni2 51.24(14) . 2_556 ?
C1 Pt1 Ni2 114.89(13) . 2_556 ?
P1 Pt1 Ni2 152.19(3) . 2_556 ?
Pt2 Pt1 Ni2 0.000(9) 2_556 2_556 ?
C2 Pt1 Ni2 116.75(14) . . ?
C1 Pt1 Ni2 49.36(13) . . ?
P1 Pt1 Ni2 141.97(3) . . ?
Pt2 Pt1 Ni2 65.602(9) 2_556 . ?
Ni2 Pt1 Ni2 65.602(9) 2_556 . ?
O1 C1 Pt1 143.4(4) . . ?
O1 C1 Ni2 134.6(4) . . ?
Pt1 C1 Ni2 81.90(18) . . ?
O2 C2 Pt1 146.8(4) . . ?
O2 C2 Pt2 132.1(4) . 2_556 ?
Pt1 C2 Pt2 81.12(18) . 2_556 ?
O2 C2 Ni2 132.1(4) . 2_556 ?
Pt1 C2 Ni2 81.12(18) . 2_556 ?
Pt2 C2 Ni2 0.000(9) 2_556 2_556 ?
O3 C3 Ni2 178.8(6) . . ?
C5 C4 C9 120.0 . . ?
C5 C4 P1 121.09(5) . . ?
C9 C4 P1 118.84(5) . . ?
C6 C5 C4 120.0 . . ?
C7 C6 C5 120.0 . . ?
C6 C7 C8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C8 C9 C4 120.0 . . ?
C11 C10 C15 120.0 . . ?
C11 C10 P1 117.6 . . ?
C15 C10 P1 122.3 . . ?
C10 C11 C12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C14 C13 C12 120.0 . . ?
C13 C14 C15 120.0 . . ?
C14 C15 C10 120.0 . . ?
C17 C16 C21 120.0 . . ?
C17 C16 P1 123.3 . . ?
C21 C16 P1 116.7 . . ?
C16 C17 C18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C18 C19 C20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C20 C21 C16 120.0 . . ?
C23 C22 C27 120.0 . . ?
C23 C22 P2 117.4 . . ?
C27 C22 P2 122.5 . . ?
C22 C23 C24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C25 C26 C27 120.0 . . ?
C26 C27 C22 120.0 . . ?
C29 C28 C33 120.0 . . ?
C29 C28 P2 122.0 . . ?
C33 C28 P2 117.9 . . ?
C30 C29 C28 120.0 . . ?
C31 C30 C29 120.0 . . ?
C30 C31 C32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C32 C33 C28 120.0 . . ?
C35 C34 C39 120.0 . . ?
C35 C34 P2 117.7 . . ?
C39 C34 P2 122.2 . . ?
C34 C35 C36 120.0 . . ?
C37 C36 C35 120.0 . . ?
C36 C37 C38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C38 C39 C34 120.0 . . ?
N1 C40 C41 178.4(4) . . ?
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
Au1 P2 2.2850(12) . ?
Au1 Pt2 2.7294(3) 2_556 ?
Au1 Ni2 2.7294(3) 2_556 ?
Au1 Ni2 2.7424(3) . ?
Au1 Au1 2.8780(3) 2_556 ?
N1 C40 1.134(6) . ?
Ni2 C3 1.827(6) . ?
Ni2 C1 2.057(5) . ?
Ni2 C2 2.110(5) 2_556 ?
Ni2 Pt1 2.6740(3) 2_556 ?
Ni2 Pt1 2.6838(3) . ?
Ni2 Au1 2.7293(3) 2_556 ?
Ni2 Ni2 2.9025(4) 2_556 ?
O1 C1 1.169(6) . ?
O2 C2 1.166(6) . ?
O3 C3 1.136(7) . ?
P1 C4 1.8323(15) . ?
P1 C16 1.8322(16) . ?
P1 C10 1.8386(16) . ?
P1 Pt1 2.2573(11) . ?
P2 C22 1.8248(15) . ?
P2 C34 1.8321(15) . ?
P2 C28 1.8345(16) . ?
Pt1 C2 2.000(5) . ?
Pt1 C1 2.038(5) . ?
Pt1 Pt2 2.6740(3) 2_556 ?
Pt1 Ni2 2.6740(3) 2_556 ?
C2 Pt2 2.110(5) 2_556 ?
C2 Ni2 2.110(5) 2_556 ?
C4 C5 1.3900 . ?
C4 C9 1.3900 . ?
C5 C6 1.3900 . ?
C6 C7 1.3900 . ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C10 C11 1.3900 . ?
C10 C15 1.3900 . ?
C11 C12 1.3900 . ?
C12 C13 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C16 C17 1.3900 . ?
C16 C21 1.3900 . ?
C17 C18 1.3900 . ?
C18 C19 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C22 C23 1.3900 . ?
C22 C27 1.3900 . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C28 C29 1.3900 . ?
C28 C33 1.3900 . ?
C29 C30 1.3900 . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C34 C35 1.3900 . ?
C34 C39 1.3900 . ?
C35 C36 1.3900 . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?
C38 C39 1.3900 . ?
C40 C41 1.4328 . ?
