#------------------------------------------------------------------------------
#$Date: 2022-08-20 02:04:30 +0300 (Sat, 20 Aug 2022) $
#$Revision: 277332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/10/7711031.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_7711031
loop_
_publ_author_name
'Gutierrez Suburu, Matias E.'
'Maisuls, Iván'
'Kösters, Jutta'
'Strassert, Cristian A.'
_publ_section_title
;
 Room-temperature luminescence from Pd(ii) and Pt(ii) complexes: from
 mechanochromic crystals to flexible polymer matrices
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01693A
_journal_year                    2022
_chemical_formula_sum            'C63 H52 Cl2 N6 O6 Pt2'
_chemical_formula_weight         1450.180
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2019-10-07
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-03-28 deposited with the CCDC.	2022-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                107.524(1)
_cell_angle_beta                 104.817(1)
_cell_angle_gamma                92.049(1)
_cell_formula_units_Z            2
_cell_length_a                   13.3920(3)
_cell_length_b                   14.5002(4)
_cell_length_c                   14.6064(4)
_cell_volume                     2595.16(12)
_refine_ls_R_factor_all          0.028
_cod_data_source_file            d2dt01693a2.cif
_cod_data_source_block           Qa2_sadp-1_a
_cod_original_cell_volume        2595.2(1)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7711031
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -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_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
Pt1 Pt 0.2188(0) 0.6215(0) 0.1598(0) 1.000 2 i ? d Uani 0.01183(3)
N1 N 0.0838(2) 0.5858(2) -0.0739(2) 1.000 2 i ? d Uani 0.0152(4)
N2 N 0.1946(2) 0.5079(1) 0.0296(2) 1.000 2 i ? d Uani 0.0150(4)
N3 N 0.1148(2) 0.6970(1) 0.0923(2) 1.000 2 i ? d Uani 0.0133(4)
O1 O 0.3798(2) 0.4564(1) 0.4432(1) 1.000 2 i ? d Uani 0.0223(4)
O2 O 0.4160(2) 0.8963(1) 0.5139(1) 1.000 2 i ? d Uani 0.0174(4)
O3 O -0.0424(2) 0.6115(2) -0.4596(1) 1.000 2 i ? d Uani 0.0234(4)
C1 C 0.2505(2) 0.4320(2) 0.0400(2) 1.000 2 i ? d Uani 0.0163(5)
C2 C 0.2621(2) 0.3603(2) -0.0427(2) 1.000 2 i ? d Uani 0.0217(5)
H2 H 0.3011 0.3091 -0.0353 1.000 2 i ? calc Uiso 0.02600
C3 C 0.2145(2) 0.3660(2) -0.1368(2) 1.000 2 i ? d Uani 0.0241(6)
H3 H 0.2228 0.3189 -0.1939 1.000 2 i ? calc Uiso 0.02900
C4 C 0.1556(2) 0.4394(2) -0.1475(2) 1.000 2 i ? d Uani 0.0228(5)
H4 H 0.1220 0.4417 -0.2116 1.000 2 i ? calc Uiso 0.02700
C5 C 0.1459(2) 0.5115(2) -0.0618(2) 1.000 2 i ? d Uani 0.0164(5)
C6 C 0.0541(2) 0.6613(2) -0.0025(2) 1.000 2 i ? d Uani 0.0142(4)
C7 C -0.0373(2) 0.7010(2) -0.0331(2) 1.000 2 i ? d Uani 0.0172(5)
H7 H -0.0804 0.6753 -0.0990 1.000 2 i ? calc Uiso 0.02100
C8 C -0.0633(2) 0.7787(2) 0.0351(2) 1.000 2 i ? d Uani 0.0189(5)
H8 H -0.1256 0.8048 0.0160 1.000 2 i ? calc Uiso 0.02300
C9 C 0.0016(2) 0.8182(2) 0.1312(2) 1.000 2 i ? d Uani 0.0168(5)
H9 H -0.0146 0.8727 0.1767 1.000 2 i ? calc Uiso 0.02000
C10 C 0.0904(2) 0.7765(2) 0.1593(2) 1.000 2 i ? d Uani 0.0137(4)
C11 C 0.3540(2) 0.4452(2) 0.3432(2) 1.000 2 i ? d Uani 0.0173(5)
C12 C 0.3537(2) 0.3583(2) 0.2694(2) 1.000 2 i ? d Uani 0.0196(5)
H12 H 0.3732 0.3027 0.2865 1.000 2 i ? calc Uiso 0.02300
C13 C 0.3244(2) 0.3548(2) 0.1701(2) 1.000 2 i ? d Uani 0.0201(5)
H13 H 0.3256 0.2968 0.1197 1.000 2 i ? calc Uiso 0.02400
C14 C 0.2930(2) 0.4367(2) 0.1440(2) 1.000 2 i ? d Uani 0.0165(5)
C15 C 0.2920(2) 0.5262(2) 0.2186(2) 1.000 2 i ? d Uani 0.0140(4)
C16 C 0.3240(2) 0.5281(2) 0.3179(2) 1.000 2 i ? d Uani 0.0164(5)
H16 H 0.3255 0.5863 0.3691 1.000 2 i ? calc Uiso 0.02000
C17 C 0.2434(2) 0.7440(2) 0.2756(2) 1.000 2 i ? d Uani 0.0128(4)
C18 C 0.1682(2) 0.8087(2) 0.2571(2) 1.000 2 i ? d Uani 0.0139(4)
C19 C 0.1738(2) 0.9001(2) 0.3270(2) 1.000 2 i ? d Uani 0.0167(5)
H19 H 0.1223 0.9406 0.3144 1.000 2 i ? calc Uiso 0.02000
C20 C 0.2549(2) 0.9322(2) 0.4156(2) 1.000 2 i ? d Uani 0.0169(5)
H20 H 0.2583 0.9937 0.4628 1.000 2 i ? calc Uiso 0.02000
C21 C 0.3309(2) 0.8711(2) 0.4325(2) 1.000 2 i ? d Uani 0.0156(5)
C22 C 0.3235(2) 0.7777(2) 0.3637(2) 1.000 2 i ? d Uani 0.0154(5)
H22 H 0.3742 0.7369 0.3778 1.000 2 i ? calc Uiso 0.01900
C23 C 0.0477(2) 0.5887(2) -0.1757(2) 1.000 2 i ? d Uani 0.0152(5)
C24 C 0.1092(2) 0.6456(2) -0.2065(2) 1.000 2 i ? d Uani 0.0192(5)
H24 H 0.1728 0.6799 -0.1625 1.000 2 i ? calc Uiso 0.02300
C25 C 0.0765(2) 0.6517(2) -0.3019(2) 1.000 2 i ? d Uani 0.0207(5)
H25 H 0.1176 0.6908 -0.3227 1.000 2 i ? calc Uiso 0.02500
C26 C -0.0171(2) 0.6001(2) -0.3673(2) 1.000 2 i ? d Uani 0.0180(5)
C27 C -0.0781(2) 0.5414(2) -0.3371(2) 1.000 2 i ? d Uani 0.0180(5)
H27 H -0.1410 0.5057 -0.3813 1.000 2 i ? calc Uiso 0.02200
C28 C -0.0446(2) 0.5364(2) -0.2406(2) 1.000 2 i ? d Uani 0.0175(5)
H28 H -0.0852 0.4972 -0.2194 1.000 2 i ? calc Uiso 0.02100
C29 C -0.1405(2) 0.5644(2) -0.5275(2) 1.000 2 i ? d Uani 0.0263(6)
H29A H -0.1417 0.4944 -0.5430 1.000 2 i ? calc Uiso 0.03900
H29B H -0.1508 0.5810 -0.5885 1.000 2 i ? calc Uiso 0.03900
H29C H -0.1957 0.5857 -0.4971 1.000 2 i ? calc Uiso 0.03900
C30 C 0.4181(2) 0.3762(2) 0.4729(2) 1.000 2 i ? d Uani 0.0254(6)
H30A H 0.3637 0.3214 0.4458 1.000 2 i ? calc Uiso 0.03800
H30B H 0.4393 0.3949 0.5453 1.000 2 i ? calc Uiso 0.03800
H30C H 0.4774 0.3578 0.4478 1.000 2 i ? calc Uiso 0.03800
C31 C 0.4296(2) 0.9940(2) 0.5803(2) 1.000 2 i ? d Uani 0.0203(5)
H31A H 0.4243 1.0390 0.5424 1.000 2 i ? calc Uiso 0.03000
H31B H 0.4975 1.0075 0.6287 1.000 2 i ? calc Uiso 0.03000
H31C H 0.3760 1.0018 0.6151 1.000 2 i ? calc Uiso 0.03000
Pt1A Pt 0.3301(0) 0.0932(0) 0.9239(0) 1.000 2 i ? d Uani 0.01027(3)
N1A N 0.5194(2) 0.1471(1) 1.1351(1) 1.000 2 i ? d Uani 0.0127(4)
N2A N 0.3435(2) 0.0688(1) 1.0574(1) 1.000 2 i ? d Uani 0.0120(4)
N3A N 0.4797(2) 0.1588(1) 0.9692(1) 1.000 2 i ? d Uani 0.0122(4)
O1A O 0.1777(2) 0.1683(2) 0.5666(1) 1.000 2 i ? d Uani 0.0259(4)
O2A O -0.0314(2) -0.1280(1) 0.6836(1) 1.000 2 i ? d Uani 0.0209(4)
O3A O 0.8054(1) 0.3290(1) 1.5077(1) 1.000 2 i ? d Uani 0.0177(4)
C1A C 0.2543(2) 0.0232(2) 1.0624(2) 1.000 2 i ? d Uani 0.0138(4)
C2A C 0.2459(2) 0.0123(2) 1.1510(2) 1.000 2 i ? d Uani 0.0171(5)
H2A H 0.1849 -0.0193 1.1540 1.000 2 i ? calc Uiso 0.02000
C3A C 0.3301(2) 0.0492(2) 1.2355(2) 1.000 2 i ? d Uani 0.0177(5)
H3A H 0.3260 0.0427 1.2965 1.000 2 i ? calc Uiso 0.02100
C4A C 0.4191(2) 0.0951(2) 1.2310(2) 1.000 2 i ? d Uani 0.0161(5)
H4A H 0.4752 0.1211 1.2888 1.000 2 i ? calc Uiso 0.01900
C5A C 0.4257(2) 0.1029(2) 1.1385(2) 1.000 2 i ? d Uani 0.0130(4)
C6A C 0.5501(2) 0.1610(2) 1.0543(2) 1.000 2 i ? d Uani 0.0134(4)
C7A C 0.6566(2) 0.1796(2) 1.0652(2) 1.000 2 i ? d Uani 0.0157(5)
H7A H 0.7062 0.1777 1.1229 1.000 2 i ? calc Uiso 0.01900
C8A C 0.6877(2) 0.2008(2) 0.9900(2) 1.000 2 i ? d Uani 0.0181(5)
H8A H 0.7591 0.2130 0.9966 1.000 2 i ? calc Uiso 0.02200
C9A C 0.6151(2) 0.2044(2) 0.9051(2) 1.000 2 i ? d Uani 0.0174(5)
H9A H 0.6361 0.2217 0.8552 1.000 2 i ? calc Uiso 0.02100
C10A C 0.5110(2) 0.1819(2) 0.8953(2) 1.000 2 i ? d Uani 0.0137(4)
C11A C 0.2571(2) 0.1695(2) 0.6490(2) 1.000 2 i ? d Uani 0.0192(5)
C12A C 0.3533(2) 0.2133(2) 0.6555(2) 1.000 2 i ? d Uani 0.0207(5)
H12A H 0.3614 0.2400 0.6063 1.000 2 i ? calc Uiso 0.02500
C13A C 0.4374(2) 0.2172(2) 0.7353(2) 1.000 2 i ? d Uani 0.0185(5)
H13A H 0.5031 0.2466 0.7403 1.000 2 i ? calc Uiso 0.02200
C14A C 0.4249(2) 0.1777(2) 0.8086(2) 1.000 2 i ? d Uani 0.0147(4)
C15A C 0.3266(2) 0.1338(2) 0.8041(2) 1.000 2 i ? d Uani 0.0134(4)
C16A C 0.2428(2) 0.1319(2) 0.7226(2) 1.000 2 i ? d Uani 0.0155(5)
H16A H 0.1760 0.1048 0.7176 1.000 2 i ? calc Uiso 0.01900
C17A C 0.1939(2) 0.0113(2) 0.8850(2) 1.000 2 i ? d Uani 0.0129(4)
C18A C 0.1736(2) -0.0123(2) 0.9666(2) 1.000 2 i ? d Uani 0.0133(4)
C19A C 0.0828(2) -0.0708(2) 0.9537(2) 1.000 2 i ? d Uani 0.0175(5)
H19A H 0.0701 -0.0837 1.0093 1.000 2 i ? calc Uiso 0.02100
C20A C 0.0111(2) -0.1103(2) 0.8612(2) 1.000 2 i ? d Uani 0.0181(5)
H20A H -0.0502 -0.1489 0.8536 1.000 2 i ? calc Uiso 0.02200
C21A C 0.0318(2) -0.0915(2) 0.7794(2) 1.000 2 i ? d Uani 0.0157(5)
C22A C 0.1220(2) -0.0326(2) 0.7917(2) 1.000 2 i ? d Uani 0.0147(4)
H22A H 0.1349 -0.0219 0.7351 1.000 2 i ? calc Uiso 0.01800
C23A C 0.5959(2) 0.1912(2) 1.2318(2) 1.000 2 i ? d Uani 0.0127(4)
C24A C 0.5983(2) 0.2897(2) 1.2810(2) 1.000 2 i ? d Uani 0.0142(4)
H24A H 0.5524 0.3267 1.2511 1.000 2 i ? calc Uiso 0.01700
C25A C 0.6680(2) 0.3334(2) 1.3740(2) 1.000 2 i ? d Uani 0.0153(4)
H25A H 0.6686 0.3998 1.4082 1.000 2 i ? calc Uiso 0.01800
C26A C 0.7378(2) 0.2785(2) 1.4173(2) 1.000 2 i ? d Uani 0.0131(4)
C27A C 0.7358(2) 0.1801(2) 1.3673(2) 1.000 2 i ? d Uani 0.0137(4)
H27A H 0.7826 0.1430 1.3962 1.000 2 i ? calc Uiso 0.01600
C28A C 0.6641(2) 0.1365(2) 1.2743(2) 1.000 2 i ? d Uani 0.0139(4)
H28A H 0.6622 0.0699 1.2405 1.000 2 i ? calc Uiso 0.01700
C29A C 0.8872(2) 0.2804(2) 1.5488(2) 1.000 2 i ? d Uani 0.0197(5)
H29D H 0.8578 0.2257 1.5627 1.000 2 i ? calc Uiso 0.03000
H29E H 0.9324 0.3254 1.6104 1.000 2 i ? calc Uiso 0.03000
H29F H 0.9271 0.2571 1.5014 1.000 2 i ? calc Uiso 0.03000
C30A C 0.0809(3) 0.1138(3) 0.5501(2) 1.000 2 i ? d Uani 0.0326(7)
H30D H 0.0921 0.0482 0.5507 1.000 2 i ? calc Uiso 0.04900
H30E H 0.0351 0.1110 0.4858 1.000 2 i ? calc Uiso 0.04900
H30F H 0.0493 0.1449 0.6026 1.000 2 i ? calc Uiso 0.04900
C31A C -0.1268(2) -0.1863(2) 0.6672(2) 1.000 2 i ? d Uani 0.0214(5)
H31D H -0.1119 -0.2412 0.6912 1.000 2 i ? calc Uiso 0.03200
H31E H -0.1625 -0.2099 0.5963 1.000 2 i ? calc Uiso 0.03200
H31F H -0.1706 -0.1472 0.7030 1.000 2 i ? calc Uiso 0.03200
C1L C 0.5537(2) 0.5239(2) 0.1529(2) 1.000 2 i ? d Uani 0.0275(6)
H1L1 H 0.4806 0.5237 0.1531 1.000 2 i ? calc Uiso 0.03300
H1L2 H 0.5736 0.5811 0.1361 1.000 2 i ? calc Uiso 0.03300
Cl1L Cl 0.6320(1) 0.5312(1) 0.2729(1) 1.000 2 i ? d Uani 0.0427(2)
Cl2L Cl 0.5683(1) 0.4175(1) 0.0622(1) 1.000 2 i ? d Uani 0.03797(19)
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
Pt ? ?
N ? ?
O ? ?
C ? ?
H ? ?
Cl ? ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C17 Pt1 C15 . . . 104.18(10) no
C17 Pt1 N3 . . . 82.25(9) no
C15 Pt1 N3 . . . 166.98(9) no
C17 Pt1 N2 . . . 172.20(9) no
C15 Pt1 N2 . . . 82.31(9) no
N3 Pt1 N2 . . . 92.27(8) no
C5 N1 C6 . . . 130.6(2) no
C5 N1 C23 . . . 115.28(19) no
C6 N1 C23 . . . 114.07(19) no
C5 N2 C1 . . . 120.5(2) no
C5 N2 Pt1 . . . 124.69(16) no
C1 N2 Pt1 . . . 113.68(16) no
C6 N3 C10 . . . 120.3(2) no
C6 N3 Pt1 . . . 124.15(16) no
C10 N3 Pt1 . . . 113.16(15) no
C11 O1 C30 . . . 117.3(2) no
C21 O2 C31 . . . 116.32(19) no
C26 O3 C29 . . . 117.5(2) no
N2 C1 C2 . . . 121.0(2) no
N2 C1 C14 . . . 113.2(2) no
C2 C1 C14 . . . 125.8(2) no
C1 C2 C3 . . . 118.2(2) no
C1 C2 H2 . . . 120.90 no
C3 C2 H2 . . . 120.90 no
C4 C3 C2 . . . 120.8(2) no
C4 C3 H3 . . . 119.60 no
C2 C3 H3 . . . 119.60 no
C3 C4 C5 . . . 119.5(3) no
C3 C4 H4 . . . 120.20 no
C5 C4 H4 . . . 120.20 no
N2 C5 C4 . . . 119.9(2) no
N2 C5 N1 . . . 121.2(2) no
C4 C5 N1 . . . 118.9(2) no
N3 C6 C7 . . . 120.5(2) no
N3 C6 N1 . . . 120.6(2) no
C7 C6 N1 . . . 118.8(2) no
C8 C7 C6 . . . 119.0(2) no
C8 C7 H7 . . . 120.50 no
C6 C7 H7 . . . 120.50 no
C9 C8 C7 . . . 120.4(2) no
C9 C8 H8 . . . 119.80 no
C7 C8 H8 . . . 119.80 no
C10 C9 C8 . . . 119.1(2) no
C10 C9 H9 . . . 120.50 no
C8 C9 H9 . . . 120.50 no
C9 C10 N3 . . . 120.6(2) no
C9 C10 C18 . . . 126.7(2) no
N3 C10 C18 . . . 112.8(2) no
O1 C11 C12 . . . 123.9(2) no
O1 C11 C16 . . . 115.4(2) no
C12 C11 C16 . . . 120.7(2) no
C13 C12 C11 . . . 119.0(2) no
C13 C12 H12 . . . 120.50 no
C11 C12 H12 . . . 120.50 no
C12 C13 C14 . . . 120.7(2) no
C12 C13 H13 . . . 119.60 no
C14 C13 H13 . . . 119.60 no
C13 C14 C15 . . . 121.0(2) no
C13 C14 C1 . . . 121.8(2) no
C15 C14 C1 . . . 116.9(2) no
C16 C15 C14 . . . 116.9(2) no
C16 C15 Pt1 . . . 129.95(18) no
C14 C15 Pt1 . . . 112.05(17) no
C15 C16 C11 . . . 121.7(2) no
C15 C16 H16 . . . 119.20 no
C11 C16 H16 . . . 119.20 no
C22 C17 C18 . . . 117.1(2) no
C22 C17 Pt1 . . . 130.91(18) no
C18 C17 Pt1 . . . 111.73(17) no
C19 C18 C17 . . . 120.9(2) no
C19 C18 C10 . . . 122.3(2) no
C17 C18 C10 . . . 116.6(2) no
C18 C19 C20 . . . 120.9(2) no
C18 C19 H19 . . . 119.60 no
C20 C19 H19 . . . 119.60 no
C21 C20 C19 . . . 118.6(2) no
C21 C20 H20 . . . 120.70 no
C19 C20 H20 . . . 120.70 no
O2 C21 C20 . . . 123.9(2) no
O2 C21 C22 . . . 115.5(2) no
C20 C21 C22 . . . 120.6(2) no
C17 C22 C21 . . . 121.7(2) no
C17 C22 H22 . . . 119.10 no
C21 C22 H22 . . . 119.10 no
C28 C23 C24 . . . 120.4(2) no
C28 C23 N1 . . . 121.5(2) no
C24 C23 N1 . . . 118.1(2) no
C25 C24 C23 . . . 119.8(2) no
C25 C24 H24 . . . 120.10 no
C23 C24 H24 . . . 120.10 no
C24 C25 C26 . . . 120.1(2) no
C24 C25 H25 . . . 120.00 no
C26 C25 H25 . . . 120.00 no
O3 C26 C25 . . . 115.5(2) no
O3 C26 C27 . . . 124.3(2) no
C25 C26 C27 . . . 120.2(2) no
C28 C27 C26 . . . 119.1(2) no
C28 C27 H27 . . . 120.40 no
C26 C27 H27 . . . 120.40 no
C23 C28 C27 . . . 120.4(2) no
C23 C28 H28 . . . 119.80 no
C27 C28 H28 . . . 119.80 no
O3 C29 H29A . . . 109.50 no
O3 C29 H29B . . . 109.50 no
H29A C29 H29B . . . 109.50 no
O3 C29 H29C . . . 109.50 no
H29A C29 H29C . . . 109.50 no
H29B C29 H29C . . . 109.50 no
O1 C30 H30A . . . 109.50 no
O1 C30 H30B . . . 109.50 no
H30A C30 H30B . . . 109.50 no
O1 C30 H30C . . . 109.50 no
H30A C30 H30C . . . 109.50 no
H30B C30 H30C . . . 109.50 no
O2 C31 H31A . . . 109.50 no
O2 C31 H31B . . . 109.50 no
H31A C31 H31B . . . 109.50 no
O2 C31 H31C . . . 109.50 no
H31A C31 H31C . . . 109.50 no
H31B C31 H31C . . . 109.50 no
C17A Pt1A C15A . . . 103.49(10) no
C17A Pt1A N3A . . . 170.87(8) no
C15A Pt1A N3A . . . 82.20(9) no
C17A Pt1A N2A . . . 82.36(9) no
C15A Pt1A N2A . . . 172.78(9) no
N3A Pt1A N2A . . . 92.55(8) no
C5A N1A C6A . . . 130.9(2) no
C5A N1A C23A . . . 115.18(19) no
C6A N1A C23A . . . 113.81(19) no
C5A N2A C1A . . . 120.77(19) no
C5A N2A Pt1A . . . 124.90(16) no
C1A N2A Pt1A . . . 113.89(15) no
C6A N3A C10A . . . 120.4(2) no
C6A N3A Pt1A . . . 124.39(16) no
C10A N3A Pt1A . . . 113.74(16) no
C11A O1A C30A . . . 117.3(2) no
C21A O2A C31A . . . 117.7(2) no
C26A O3A C29A . . . 117.65(19) no
N2A C1A C2A . . . 121.2(2) no
N2A C1A C18A . . . 113.7(2) no
C2A C1A C18A . . . 125.1(2) no
C1A C2A C3A . . . 118.2(2) no
C1A C2A H2A . . . 120.90 no
C3A C2A H2A . . . 120.90 no
C4A C3A C2A . . . 120.8(2) no
C4A C3A H3A . . . 119.60 no
C2A C3A H3A . . . 119.60 no
C3A C4A C5A . . . 119.3(2) no
C3A C4A H4A . . . 120.30 no
C5A C4A H4A . . . 120.30 no
N2A C5A N1A . . . 122.2(2) no
N2A C5A C4A . . . 119.6(2) no
N1A C5A C4A . . . 118.2(2) no
N3A C6A C7A . . . 120.2(2) no
N3A C6A N1A . . . 121.4(2) no
C7A C6A N1A . . . 118.4(2) no
C8A C7A C6A . . . 119.1(2) no
C8A C7A H7A . . . 120.40 no
C6A C7A H7A . . . 120.40 no
C7A C8A C9A . . . 120.7(2) no
C7A C8A H8A . . . 119.60 no
C9A C8A H8A . . . 119.60 no
C10A C9A C8A . . . 118.4(2) no
C10A C9A H9A . . . 120.80 no
C8A C9A H9A . . . 120.80 no
N3A C10A C9A . . . 121.0(2) no
N3A C10A C14A . . . 113.6(2) no
C9A C10A C14A . . . 125.4(2) no
O1A C11A C12A . . . 115.3(2) no
O1A C11A C16A . . . 123.4(3) no
C12A C11A C16A . . . 121.3(2) no
C13A C12A C11A . . . 119.2(2) no
C13A C12A H12A . . . 120.40 no
C11A C12A H12A . . . 120.40 no
C12A C13A C14A . . . 120.2(2) no
C12A C13A H13A . . . 119.90 no
C14A C13A H13A . . . 119.90 no
C13A C14A C15A . . . 121.4(2) no
C13A C14A C10A . . . 122.2(2) no
C15A C14A C10A . . . 116.3(2) no
C16A C15A C14A . . . 116.8(2) no
C16A C15A Pt1A . . . 130.56(19) no
C14A C15A Pt1A . . . 112.49(17) no
C11A C16A C15A . . . 121.0(2) no
C11A C16A H16A . . . 119.50 no
C15A C16A H16A . . . 119.50 no
C22A C17A C18A . . . 116.2(2) no
C22A C17A Pt1A . . . 131.19(18) no
C18A C17A Pt1A . . . 112.32(17) no
C19A C18A C17A . . . 120.8(2) no
C19A C18A C1A . . . 122.1(2) no
C17A C18A C1A . . . 117.0(2) no
C20A C19A C18A . . . 121.6(2) no
C20A C19A H19A . . . 119.20 no
C18A C19A H19A . . . 119.20 no
C19A C20A C21A . . . 118.4(2) no
C19A C20A H20A . . . 120.80 no
C21A C20A H20A . . . 120.80 no
O2A C21A C20A . . . 124.2(2) no
O2A C21A C22A . . . 115.4(2) no
C20A C21A C22A . . . 120.4(2) no
C21A C22A C17A . . . 122.4(2) no
C21A C22A H22A . . . 118.80 no
C17A C22A H22A . . . 118.80 no
C28A C23A C24A . . . 120.5(2) no
C28A C23A N1A . . . 121.1(2) no
C24A C23A N1A . . . 118.4(2) no
C25A C24A C23A . . . 120.0(2) no
C25A C24A H24A . . . 120.00 no
C23A C24A H24A . . . 120.00 no
C24A C25A C26A . . . 119.8(2) no
C24A C25A H25A . . . 120.10 no
C26A C25A H25A . . . 120.10 no
O3A C26A C27A . . . 124.8(2) no
O3A C26A C25A . . . 115.2(2) no
C27A C26A C25A . . . 120.0(2) no
C26A C27A C28A . . . 119.7(2) no
C26A C27A H27A . . . 120.20 no
C28A C27A H27A . . . 120.20 no
C23A C28A C27A . . . 120.0(2) no
C23A C28A H28A . . . 120.00 no
C27A C28A H28A . . . 120.00 no
O3A C29A H29D . . . 109.50 no
O3A C29A H29E . . . 109.50 no
H29D C29A H29E . . . 109.50 no
O3A C29A H29F . . . 109.50 no
H29D C29A H29F . . . 109.50 no
H29E C29A H29F . . . 109.50 no
O1A C30A H30D . . . 109.50 no
O1A C30A H30E . . . 109.50 no
H30D C30A H30E . . . 109.50 no
O1A C30A H30F . . . 109.50 no
H30D C30A H30F . . . 109.50 no
H30E C30A H30F . . . 109.50 no
O2A C31A H31D . . . 109.50 no
O2A C31A H31E . . . 109.50 no
H31D C31A H31E . . . 109.50 no
O2A C31A H31F . . . 109.50 no
H31D C31A H31F . . . 109.50 no
H31E C31A H31F . . . 109.50 no
Cl2L C1L Cl1L . . . 110.73(16) no
Cl2L C1L H1L1 . . . 109.50 no
Cl1L C1L H1L1 . . . 109.50 no
Cl2L C1L H1L2 . . . 109.50 no
Cl1L C1L H1L2 . . . 109.50 no
H1L1 C1L H1L2 . . . 108.10 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 C17 . . 1.997(2) no
Pt1 C15 . . 1.997(2) no
Pt1 N3 . . 2.042(2) no
Pt1 N2 . . 2.0484(19) no
N1 C5 . . 1.410(3) no
N1 C6 . . 1.415(3) no
N1 C23 . . 1.455(3) no
N2 C5 . . 1.345(3) no
N2 C1 . . 1.377(3) no
N3 C6 . . 1.344(3) no
N3 C10 . . 1.381(3) no
O1 C11 . . 1.369(3) no
O1 C30 . . 1.428(3) no
O2 C21 . . 1.365(3) no
O2 C31 . . 1.430(3) no
O3 C26 . . 1.366(3) no
O3 C29 . . 1.427(3) no
C1 C2 . . 1.384(3) no
C1 C14 . . 1.459(4) no
C2 C3 . . 1.389(4) no
C2 H2 . . 0.9400 no
C3 C4 . . 1.370(4) no
C3 H3 . . 0.9400 no
C4 C5 . . 1.407(3) no
C4 H4 . . 0.9400 no
C6 C7 . . 1.399(3) no
C7 C8 . . 1.382(3) no
C7 H7 . . 0.9400 no
C8 C9 . . 1.382(4) no
C8 H8 . . 0.9400 no
C9 C10 . . 1.378(3) no
C9 H9 . . 0.9400 no
C10 C18 . . 1.466(3) no
C11 C12 . . 1.389(3) no
C11 C16 . . 1.402(3) no
C12 C13 . . 1.387(4) no
C12 H12 . . 0.9400 no
C13 C14 . . 1.399(4) no
C13 H13 . . 0.9400 no
C14 C15 . . 1.425(3) no
C15 C16 . . 1.394(3) no
C16 H16 . . 0.9400 no
C17 C22 . . 1.388(3) no
C17 C18 . . 1.431(3) no
C18 C19 . . 1.393(3) no
C19 C20 . . 1.398(4) no
C19 H19 . . 0.9400 no
C20 C21 . . 1.396(4) no
C20 H20 . . 0.9400 no
C21 C22 . . 1.406(3) no
C22 H22 . . 0.9400 no
C23 C28 . . 1.380(3) no
C23 C24 . . 1.387(3) no
C24 C25 . . 1.382(4) no
C24 H24 . . 0.9400 no
C25 C26 . . 1.391(4) no
C25 H25 . . 0.9400 no
C26 C27 . . 1.396(4) no
C27 C28 . . 1.390(3) no
C27 H27 . . 0.9400 no
C28 H28 . . 0.9400 no
C29 H29A . . 0.9700 no
C29 H29B . . 0.9700 no
C29 H29C . . 0.9700 no
C30 H30A . . 0.9700 no
C30 H30B . . 0.9700 no
C30 H30C . . 0.9700 no
C31 H31A . . 0.9700 no
C31 H31B . . 0.9700 no
C31 H31C . . 0.9700 no
Pt1A C17A . . 1.993(2) no
Pt1A C15A . . 1.998(2) no
Pt1A N3A . . 2.040(2) no
Pt1A N2A . . 2.0495(19) no
N1A C5A . . 1.407(3) no
N1A C6A . . 1.412(3) no
N1A C23A . . 1.457(3) no
N2A C5A . . 1.342(3) no
N2A C1A . . 1.373(3) no
N3A C6A . . 1.344(3) no
N3A C10A . . 1.376(3) no
O1A C11A . . 1.382(3) no
O1A C30A . . 1.420(4) no
O2A C21A . . 1.369(3) no
O2A C31A . . 1.431(3) no
O3A C26A . . 1.364(3) no
O3A C29A . . 1.425(3) no
C1A C2A . . 1.382(3) no
C1A C18A . . 1.464(3) no
C2A C3A . . 1.389(3) no
C2A H2A . . 0.9400 no
C3A C4A . . 1.369(4) no
C3A H3A . . 0.9400 no
C4A C5A . . 1.415(3) no
C4A H4A . . 0.9400 no
C6A C7A . . 1.401(3) no
C7A C8A . . 1.379(3) no
C7A H7A . . 0.9400 no
C8A C9A . . 1.383(4) no
C8A H8A . . 0.9400 no
C9A C10A . . 1.382(4) no
C9A H9A . . 0.9400 no
C10A C14A . . 1.463(3) no
C11A C12A . . 1.384(4) no
C11A C16A . . 1.393(3) no
C12A C13A . . 1.383(4) no
C12A H12A . . 0.9400 no
C13A C14A . . 1.399(3) no
C13A H13A . . 0.9400 no
C14A C15A . . 1.419(4) no
C15A C16A . . 1.405(3) no
C16A H16A . . 0.9400 no
C17A C22A . . 1.397(3) no
C17A C18A . . 1.421(3) no
C18A C19A . . 1.395(3) no
C19A C20A . . 1.381(3) no
C19A H19A . . 0.9400 no
C20A C21A . . 1.392(3) no
C20A H20A . . 0.9400 no
C21A C22A . . 1.394(3) no
C22A H22A . . 0.9400 no
C23A C28A . . 1.381(3) no
C23A C24A . . 1.387(3) no
C24A C25A . . 1.382(3) no
C24A H24A . . 0.9400 no
C25A C26A . . 1.400(3) no
C25A H25A . . 0.9400 no
C26A C27A . . 1.389(3) no
C27A C28A . . 1.392(3) no
C27A H27A . . 0.9400 no
C28A H28A . . 0.9400 no
C29A H29D . . 0.9700 no
C29A H29E . . 0.9700 no
C29A H29F . . 0.9700 no
C30A H30D . . 0.9700 no
C30A H30E . . 0.9700 no
C30A H30F . . 0.9700 no
C31A H31D . . 0.9700 no
C31A H31E . . 0.9700 no
C31A H31F . . 0.9700 no
C1L Cl2L . . 1.760(3) no
C1L Cl1L . . 1.767(3) no
C1L H1L1 . . 0.9800 no
C1L H1L2 . . 0.9800 no
Pt1 Pt1 . 2_565 6.5719(3) no
