#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/7/7051254.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_7051254
_journal_name_full  'New Journal of Chemistry'
_journal_year      2000
_chemical_formula_sum    'C43 H35 Cl4 N O3 P2 Pt'
_chemical_formula_weight  1012.55
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
_cell_length_a  11.002(14)
_cell_length_b  12.641(14)
_cell_length_c  16.825(18)
_cell_angle_alpha  112.240(10)
_cell_angle_beta  93.520(10)
_cell_angle_gamma  104.510(10)
_cell_volume  2065(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.629
_diffrn_ambient_temperature  293(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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.37083(2) 0.49346(2) 0.166348(17) 0.03740(9) Uani 1 d . . .
Cl Cl 0.33027(17) 0.50244(16) 0.03047(11) 0.0479(4) Uani 1 d . . .
P1 P 0.42241(16) 0.49505(15) 0.29922(11) 0.0380(4) Uani 1 d . . .
P2 P 0.24318(17) 0.30246(15) 0.09969(12) 0.0419(4) Uani 1 d . . .
O71 O 0.2617(5) 0.6734(4) 0.2467(4) 0.0529(13) Uani 1 d . . .
N1 N 0.5033(5) 0.6676(4) 0.2068(4) 0.0379(12) Uani 1 d . . .
O72 O 0.3290(6) 0.8724(5) 0.3007(4) 0.0710(17) Uani 1 d . . .
O25 O 0.5521(6) 0.9851(5) 0.3107(4) 0.0766(18) Uani 1 d . . .
H25 H 0.4782 0.9736 0.3191 0.092 Uiso 1 calc R . .
C21 C 0.2862(7) 0.4414(6) 0.3458(5) 0.0471(17) Uani 1 d . . .
C11 C 0.5016(6) 0.6455(6) 0.3831(4) 0.0403(15) Uani 1 d . . .
C31 C 0.5404(7) 0.4166(6) 0.3006(4) 0.0422(15) Uani 1 d . . .
C6 C 0.4776(6) 0.7707(6) 0.2467(4) 0.0397(14) Uani 1 d . . .
C26 C 0.1798(7) 0.4806(7) 0.3347(5) 0.0531(18) Uani 1 d . . .
H26 H 0.1795 0.5251 0.3016 0.064 Uiso 1 calc R . .
C12 C 0.6312(7) 0.6956(7) 0.3927(5) 0.0506(18) Uani 1 d . . .
H12 H 0.6787 0.6509 0.3583 0.061 Uiso 1 calc R . .
C2 C 0.6191(6) 0.6654(7) 0.1847(5) 0.0489(17) Uani 1 d . . .
H2 H 0.6336 0.5921 0.1554 0.059 Uiso 1 calc R . .
C51 C 0.3149(7) 0.2054(6) 0.0191(5) 0.0486(17) Uani 1 d . . .
C52 C 0.4309(7) 0.2515(7) -0.0029(5) 0.0541(19) Uani 1 d . . .
H52 H 0.4676 0.3339 0.0181 0.065 Uiso 1 calc R . .
C22 C 0.2848(8) 0.3715(7) 0.3925(5) 0.060(2) Uani 1 d . . .
H22 H 0.3537 0.3433 0.3984 0.072 Uiso 1 calc R . .
C16 C 0.4326(7) 0.7150(7) 0.4335(5) 0.0548(19) Uani 1 d . . .
H16 H 0.3448 0.6836 0.4270 0.066 Uiso 1 calc R . .
C7 C 0.3452(7) 0.7704(6) 0.2655(5) 0.0465(16) Uani 1 d . . .
C36 C 0.5895(8) 0.3701(7) 0.2252(5) 0.059(2) Uani 1 d . . .
H36 H 0.5590 0.3764 0.1749 0.071 Uiso 1 calc R . .
C61 C 0.0936(7) 0.3008(7) 0.0462(6) 0.058(2) Uani 1 d . . .
C41 C 0.1970(9) 0.2120(6) 0.1613(5) 0.060(2) Uani 1 d . . .
C5 C 0.5743(8) 0.8802(7) 0.2706(5) 0.0532(18) Uani 1 d . . .
C13 C 0.6916(8) 0.8113(7) 0.4525(6) 0.062(2) Uani 1 d . . .
H13 H 0.7791 0.8436 0.4579 0.074 Uiso 1 calc R . .
C3 C 0.7164(7) 0.7697(8) 0.2048(6) 0.060(2) Uani 1 d . . .
H3 H 0.7949 0.7671 0.1879 0.073 Uiso 1 calc R . .
C25 C 0.0758(8) 0.4528(8) 0.3731(6) 0.067(2) Uani 1 d . . .
H25 H 0.0055 0.4788 0.3663 0.081 Uiso 1 calc R . .
C33 C 0.6836(10) 0.3538(10) 0.3741(8) 0.086(3) Uani 1 d . . .
H33 H 0.7151 0.3476 0.4242 0.103 Uiso 1 calc R . .
C4 C 0.6949(8) 0.8783(7) 0.2504(6) 0.064(2) Uani 1 d . . .
H4 H 0.7604 0.9494 0.2674 0.076 Uiso 1 calc R . .
C42 C 0.0756(12) 0.1861(9) 0.1803(7) 0.092(4) Uani 1 d . . .
H42 H 0.0154 0.2179 0.1643 0.110 Uiso 1 calc R . .
C15 C 0.4935(8) 0.8310(7) 0.4938(6) 0.066(2) Uani 1 d . . .
H15 H 0.4463 0.8767 0.5275 0.080 Uiso 1 calc R . .
C32 C 0.5922(8) 0.4115(8) 0.3761(6) 0.065(2) Uani 1 d . . .
H32 H 0.5650 0.4473 0.4283 0.078 Uiso 1 calc R . .
C14 C 0.6234(9) 0.8788(7) 0.5039(6) 0.069(2) Uani 1 d . . .
H14 H 0.6643 0.9559 0.5452 0.083 Uiso 1 calc R . .
C66 C 0.0441(8) 0.3937(8) 0.0884(6) 0.071(3) Uani 1 d . . .
H66 H 0.0850 0.4525 0.1431 0.086 Uiso 1 calc R . .
C35 C 0.6842(10) 0.3139(9) 0.2238(7) 0.081(3) Uani 1 d . . .
H35 H 0.7169 0.2828 0.1731 0.097 Uiso 1 calc R . .
C53 C 0.4910(10) 0.1745(9) -0.0559(6) 0.075(3) Uani 1 d . . .
H53 H 0.5688 0.2053 -0.0698 0.090 Uiso 1 calc R . .
C65 C -0.0680(9) 0.3979(10) 0.0477(8) 0.088(3) Uani 1 d . . .
H65 H -0.1034 0.4585 0.0765 0.106 Uiso 1 calc R . .
C54 C 0.4360(11) 0.0522(10) -0.0882(7) 0.085(3) Uani 1 d . . .
H54 H 0.4775 0.0009 -0.1229 0.102 Uiso 1 calc R . .
C56 C 0.2591(9) 0.0809(7) -0.0157(6) 0.068(2) Uani 1 d . . .
H56 H 0.1810 0.0489 -0.0027 0.081 Uiso 1 calc R . .
C23 C 0.1788(9) 0.3439(9) 0.4308(6) 0.075(3) Uani 1 d . . .
H23 H 0.1769 0.2972 0.4624 0.089 Uiso 1 calc R . .
C24 C 0.0772(9) 0.3859(9) 0.4216(6) 0.078(3) Uani 1 d . . .
H24 H 0.0081 0.3690 0.4486 0.094 Uiso 1 calc R . .
C46 C 0.2865(11) 0.1637(7) 0.1866(6) 0.079(3) Uani 1 d . . .
H46 H 0.3677 0.1802 0.1728 0.095 Uiso 1 calc R . .
C34 C 0.7281(10) 0.3054(9) 0.2982(9) 0.091(3) Uani 1 d . . .
H34 H 0.7893 0.2661 0.2974 0.109 Uiso 1 calc R . .
C55 C 0.3202(11) 0.0062(8) -0.0691(6) 0.080(3) Uani 1 d . . .
H55 H 0.2825 -0.0762 -0.0925 0.095 Uiso 1 calc R . .
C62 C 0.0322(10) 0.2137(9) -0.0344(8) 0.098(4) Uani 1 d . . .
H62 H 0.0628 0.1491 -0.0620 0.117 Uiso 1 calc R . .
C64 C -0.1268(11) 0.3133(11) -0.0346(10) 0.130(6) Uani 1 d . . .
H64 H -0.1998 0.3186 -0.0619 0.156 Uiso 1 calc R . .
C63 C -0.0790(12) 0.2241(11) -0.0747(11) 0.151(7) Uani 1 d . . .
H63 H -0.1190 0.1676 -0.1303 0.181 Uiso 1 calc R . .
C43 C 0.0449(18) 0.1108(12) 0.2242(10) 0.139(7) Uani 1 d . . .
H43 H -0.0376 0.0897 0.2351 0.167 Uiso 1 calc R . .
C45 C 0.256(2) 0.0920(10) 0.2316(9) 0.133(6) Uani 1 d . . .
H45 H 0.3162 0.0608 0.2482 0.160 Uiso 1 calc R . .
C44 C 0.136(3) 0.0673(14) 0.2516(11) 0.176(12) Uani 1 d . . .
H44 H 0.1151 0.0213 0.2836 0.211 Uiso 1 calc R . .
C99 C 0.0678(10) 0.7883(10) 0.3692(8) 0.092(3) Uani 1 d . . .
H99 H 0.1374 0.7895 0.3356 0.110 Uiso 1 calc R . .
Cl2 Cl 0.1264(4) 0.7986(4) 0.4714(3) 0.1314(13) Uani 1 d . . .
Cl3 Cl -0.0555(3) 0.6550(3) 0.3119(4) 0.1452(16) Uani 1 d . . .
Cl4 Cl 0.0141(3) 0.9121(3) 0.3822(3) 0.1176(12) Uani 1 d . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt 0.03734(14) 0.03686(14) 0.03729(15) 0.01447(10) 0.00653(9) 0.01080(10)
Cl 0.0503(10) 0.0551(10) 0.0405(9) 0.0217(8) 0.0068(7) 0.0163(8)
P1 0.0364(9) 0.0384(9) 0.0362(9) 0.0118(7) 0.0063(7) 0.0118(7)
P2 0.0402(9) 0.0343(9) 0.0454(10) 0.0129(7) 0.0040(7) 0.0074(7)
O71 0.049(3) 0.052(3) 0.067(3) 0.031(3) 0.016(2) 0.019(2)
N1 0.032(3) 0.035(3) 0.045(3) 0.017(2) 0.005(2) 0.006(2)
O72 0.080(4) 0.049(3) 0.087(4) 0.021(3) 0.028(3) 0.032(3)
O25 0.092(5) 0.037(3) 0.088(5) 0.015(3) 0.028(4) 0.012(3)
C21 0.053(4) 0.041(4) 0.044(4) 0.018(3) 0.013(3) 0.007(3)
C11 0.043(4) 0.044(4) 0.032(3) 0.015(3) 0.004(3) 0.013(3)
C31 0.050(4) 0.045(4) 0.037(4) 0.021(3) -0.001(3) 0.018(3)
C6 0.045(4) 0.038(3) 0.037(4) 0.016(3) 0.009(3) 0.015(3)
C26 0.046(4) 0.053(4) 0.064(5) 0.028(4) 0.016(4) 0.012(3)
C12 0.044(4) 0.058(4) 0.047(4) 0.019(4) 0.011(3) 0.014(3)
C2 0.041(4) 0.054(4) 0.054(4) 0.020(3) 0.018(3) 0.018(3)
C51 0.057(4) 0.041(4) 0.046(4) 0.013(3) 0.005(3) 0.021(3)
C52 0.060(5) 0.058(5) 0.049(4) 0.021(4) 0.011(4) 0.026(4)
C22 0.058(5) 0.070(5) 0.063(5) 0.040(4) 0.009(4) 0.014(4)
C16 0.046(4) 0.052(4) 0.051(4) 0.006(4) 0.006(3) 0.011(3)
C7 0.052(4) 0.041(4) 0.049(4) 0.019(3) 0.011(3) 0.017(3)
C36 0.062(5) 0.058(5) 0.054(5) 0.015(4) 0.010(4) 0.026(4)
C61 0.038(4) 0.045(4) 0.079(6) 0.018(4) -0.005(4) 0.007(3)
C41 0.079(6) 0.037(4) 0.047(4) 0.007(3) 0.012(4) 0.003(4)
C5 0.064(5) 0.046(4) 0.044(4) 0.017(3) 0.008(4) 0.010(4)
C13 0.044(4) 0.057(5) 0.069(5) 0.018(4) 0.002(4) 0.002(4)
C3 0.041(4) 0.069(5) 0.066(5) 0.027(4) 0.014(4) 0.009(4)
C25 0.047(5) 0.088(6) 0.070(6) 0.036(5) 0.021(4) 0.016(4)
C33 0.075(7) 0.104(8) 0.094(8) 0.052(7) -0.003(6) 0.039(6)
C4 0.048(4) 0.056(5) 0.076(6) 0.029(4) 0.005(4) -0.005(4)
C42 0.112(9) 0.068(6) 0.070(6) 0.021(5) 0.030(6) -0.009(6)
C15 0.061(5) 0.052(5) 0.063(5) 0.000(4) 0.015(4) 0.016(4)
C32 0.060(5) 0.072(6) 0.067(6) 0.027(5) 0.010(4) 0.027(4)
C14 0.073(6) 0.040(4) 0.064(5) 0.001(4) 0.000(4) 0.002(4)
C66 0.051(5) 0.071(6) 0.077(6) 0.013(5) 0.004(4) 0.023(4)
C35 0.081(7) 0.076(6) 0.079(7) 0.013(5) 0.012(5) 0.041(5)
C53 0.080(6) 0.093(7) 0.068(6) 0.033(5) 0.025(5) 0.052(6)
C65 0.056(5) 0.087(7) 0.121(9) 0.037(7) 0.002(6) 0.032(5)
C54 0.115(9) 0.082(7) 0.068(6) 0.016(5) 0.026(6) 0.067(7)
C56 0.080(6) 0.045(4) 0.069(6) 0.012(4) 0.011(5) 0.022(4)
C23 0.075(6) 0.092(7) 0.080(6) 0.066(6) 0.025(5) 0.012(5)
C24 0.065(6) 0.089(7) 0.069(6) 0.028(5) 0.032(5) 0.004(5)
C46 0.122(8) 0.044(5) 0.069(6) 0.030(4) 0.005(6) 0.011(5)
C34 0.078(7) 0.085(7) 0.116(10) 0.030(7) 0.005(6) 0.053(6)
C55 0.118(9) 0.052(5) 0.065(6) 0.014(4) 0.014(6) 0.036(6)
C62 0.074(6) 0.065(6) 0.114(9) -0.002(6) -0.035(6) 0.027(5)
C64 0.077(8) 0.093(9) 0.167(14) 0.001(9) -0.052(8) 0.037(7)
C63 0.098(9) 0.086(8) 0.182(15) -0.019(9) -0.086(10) 0.025(7)
C43 0.183(16) 0.090(10) 0.109(12) 0.046(8) 0.060(12) -0.036(10)
C45 0.24(2) 0.057(7) 0.099(10) 0.038(7) 0.014(12) 0.039(10)
C44 0.34(3) 0.084(10) 0.083(10) 0.059(8) 0.033(16) -0.015(14)
C99 0.070(6) 0.112(9) 0.123(10) 0.071(8) 0.040(6) 0.035(6)
Cl2 0.128(3) 0.168(4) 0.156(4) 0.108(3) 0.052(3) 0.067(3)
Cl3 0.087(2) 0.113(3) 0.238(5) 0.070(3) 0.017(3) 0.039(2)
Cl4 0.105(2) 0.117(2) 0.176(4) 0.095(3) 0.054(2) 0.0459(19)
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
Pt N1 2.137(5) . ?
Pt P2 2.262(3) . ?
Pt P1 2.264(3) . ?
Pt Cl 2.353(3) . ?
P1 C31 1.824(7) . ?
P1 C11 1.831(7) . ?
P1 C21 1.832(7) . ?
P2 C61 1.817(8) . ?
P2 C41 1.819(9) . ?
P2 C51 1.823(7) . ?
O71 C7 1.246(8) . ?
N1 C6 1.332(8) . ?
N1 C2 1.353(8) . ?
O72 C7 1.263(8) . ?
O25 C5 1.334(9) . ?
C21 C22 1.385(11) . ?
C21 C26 1.410(11) . ?
C11 C12 1.380(10) . ?
C11 C16 1.384(9) . ?
C31 C36 1.388(10) . ?
C31 C32 1.391(11) . ?
C6 C5 1.413(10) . ?
C6 C7 1.510(10) . ?
C26 C25 1.382(10) . ?
C12 C13 1.382(10) . ?
C2 C3 1.382(10) . ?
C51 C52 1.398(11) . ?
C51 C56 1.403(11) . ?
C52 C53 1.386(11) . ?
C22 C23 1.398(11) . ?
C16 C15 1.388(10) . ?
C36 C35 1.397(12) . ?
C61 C62 1.376(12) . ?
C61 C66 1.385(11) . ?
C41 C42 1.381(13) . ?
C41 C46 1.404(13) . ?
C5 C4 1.393(11) . ?
C13 C14 1.372(11) . ?
C3 C4 1.384(12) . ?
C25 C24 1.381(13) . ?
C33 C34 1.371(15) . ?
C33 C32 1.378(13) . ?
C42 C43 1.403(17) . ?
C15 C14 1.376(12) . ?
C66 C65 1.396(13) . ?
C35 C34 1.365(15) . ?
C53 C54 1.381(14) . ?
C65 C64 1.379(16) . ?
C54 C55 1.373(15) . ?
C56 C55 1.379(12) . ?
C23 C24 1.376(14) . ?
C46 C45 1.380(16) . ?
C62 C63 1.422(14) . ?
C64 C63 1.330(16) . ?
C43 C44 1.39(3) . ?
C45 C44 1.37(3) . ?
C99 Cl2 1.744(13) . ?
C99 Cl4 1.751(11) . ?
C99 Cl3 1.753(12) . ?
_cod_database_code 7051254