#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/4100889.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_4100889
_journal_name_full  'Journal of the American Chemical Society'
_journal_year      2005
loop_
_publ_author_name
'Holman, K. Travis'
_chemical_formula_sum   'C58 H60 Cl F3 N2 O3 P2 Pd Ru S'
_chemical_formula_weight  1227.00
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'
_cell_length_a  23.064(2)
_cell_length_b  10.4080(10)
_cell_length_c  24.166(2)
_cell_angle_alpha  90.00
_cell_angle_beta  104.880(2)
_cell_angle_gamma  90.00
_cell_volume  5606.5(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.454
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.603730(12) 0.43034(3) 0.321382(11) 0.01940(7) Uani 1 1 d . . .
Ru1 Ru 0.431222(14) 0.58314(3) 0.119746(12) 0.02956(9) Uani 1 1 d . . .
Cl1 Cl 0.63364(4) 0.36202(10) 0.24052(4) 0.0332(2) Uani 1 1 d . . .
P1 P 0.56293(4) 0.48907(9) 0.39387(4) 0.02050(19) Uani 1 1 d . . .
P2 P 0.69639(4) 0.35176(9) 0.37970(4) 0.0219(2) Uani 1 1 d . . .
N1 N 0.47880(13) 0.4348(3) 0.24181(12) 0.0224(6) Uani 1 1 d . . .
N3 N 0.52314(13) 0.6215(3) 0.24497(12) 0.0230(6) Uani 1 1 d . . .
C1M C 0.46816(18) 0.2986(4) 0.24902(17) 0.0320(9) Uani 1 1 d . . .
H1MA H 0.5049 0.2584 0.2695 0.048 Uiso 1 1 calc R . .
H1MB H 0.4542 0.2591 0.2121 0.048 Uiso 1 1 calc R . .
H1MC H 0.4385 0.2887 0.2702 0.048 Uiso 1 1 calc R . .
C2 C 0.52965(16) 0.4996(3) 0.26466(14) 0.0220(7) Uani 1 1 d . . .
C3M C 0.56919(19) 0.7201(4) 0.25642(18) 0.0350(10) Uani 1 1 d . . .
H3MA H 0.6016 0.6940 0.2880 0.052 Uiso 1 1 calc R . .
H3MB H 0.5525 0.7992 0.2657 0.052 Uiso 1 1 calc R . .
H3MC H 0.5840 0.7322 0.2231 0.052 Uiso 1 1 calc R . .
C6 C 0.42320(18) 0.7334(4) 0.18112(16) 0.0317(9) Uani 1 1 d . . .
C5 C 0.36663(18) 0.6636(4) 0.16252(16) 0.0338(10) Uani 1 1 d . . .
C4 C 0.37492(17) 0.5292(4) 0.17783(16) 0.0308(9) Uani 1 1 d . . .
C4M C 0.32789(18) 0.4265(5) 0.16963(19) 0.0436(11) Uani 1 1 d . . .
H4MA H 0.3184 0.4100 0.2054 0.065 Uiso 1 1 calc R . .
H4MB H 0.3427 0.3492 0.1564 0.065 Uiso 1 1 calc R . .
H4MC H 0.2925 0.4545 0.1418 0.065 Uiso 1 1 calc R . .
C3A C 0.46474(16) 0.6380(4) 0.20935(15) 0.0254(8) Uani 1 1 d . . .
C6A C 0.43678(16) 0.5188(4) 0.20722(14) 0.0236(8) Uani 1 1 d . . .
C6M C 0.4330(2) 0.8745(4) 0.17776(19) 0.0454(11) Uani 1 1 d . . .
H6MA H 0.4299 0.9146 0.2127 0.068 Uiso 1 1 calc R . .
H6MB H 0.4032 0.9099 0.1462 0.068 Uiso 1 1 calc R . .
H6MC H 0.4722 0.8900 0.1723 0.068 Uiso 1 1 calc R . .
C5M C 0.3075(2) 0.7245(5) 0.13377(19) 0.0480(12) Uani 1 1 d . . .
H5MA H 0.2886 0.7552 0.1623 0.072 Uiso 1 1 calc R . .
H5MB H 0.2820 0.6621 0.1101 0.072 Uiso 1 1 calc R . .
H5MC H 0.3140 0.7952 0.1106 0.072 Uiso 1 1 calc R . .
C11 C 0.4585(3) 0.6655(5) 0.04792(19) 0.0531(13) Uani 1 1 d . . .
C12 C 0.4034(2) 0.5965(7) 0.02779(18) 0.0666(19) Uani 1 1 d . . .
C13 C 0.4157(3) 0.4636(6) 0.0441(2) 0.0624(17) Uani 1 1 d . . .
C14 C 0.4771(2) 0.4564(5) 0.07334(19) 0.0480(12) Uani 1 1 d . . .
C15 C 0.5013(2) 0.5773(5) 0.07491(19) 0.0477(12) Uani 1 1 d . . .
C11M C 0.4685(4) 0.8074(6) 0.0395(3) 0.111(3) Uani 1 1 d . . .
H11A H 0.4873 0.8183 0.0087 0.166 Uiso 1 1 calc R . .
H11B H 0.4939 0.8425 0.0740 0.166 Uiso 1 1 calc R . .
H11C H 0.4306 0.8513 0.0305 0.166 Uiso 1 1 calc R . .
C12M C 0.3449(3) 0.6508(12) -0.0070(3) 0.152(5) Uani 1 1 d . . .
H12A H 0.3443 0.6491 -0.0469 0.227 Uiso 1 1 calc R . .
H12B H 0.3408 0.7379 0.0045 0.227 Uiso 1 1 calc R . .
H12C H 0.3123 0.6002 -0.0010 0.227 Uiso 1 1 calc R . .
C13M C 0.3731(4) 0.3503(9) 0.0308(3) 0.143(4) Uani 1 1 d . . .
H13A H 0.3776 0.3079 -0.0032 0.215 Uiso 1 1 calc R . .
H13B H 0.3326 0.3802 0.0248 0.215 Uiso 1 1 calc R . .
H13C H 0.3822 0.2911 0.0623 0.215 Uiso 1 1 calc R . .
C14M C 0.5117(4) 0.3358(6) 0.0981(3) 0.092(2) Uani 1 1 d . . .
H14A H 0.5388 0.3129 0.0754 0.138 Uiso 1 1 calc R . .
H14B H 0.4841 0.2666 0.0976 0.138 Uiso 1 1 calc R . .
H14C H 0.5341 0.3521 0.1368 0.138 Uiso 1 1 calc R . .
C15M C 0.5671(3) 0.6068(8) 0.1018(3) 0.091(2) Uani 1 1 d . . .
H15A H 0.5909 0.5745 0.0776 0.136 Uiso 1 1 calc R . .
H15B H 0.5794 0.5664 0.1387 0.136 Uiso 1 1 calc R . .
H15C H 0.5725 0.6980 0.1061 0.136 Uiso 1 1 calc R . .
C21 C 0.48618(16) 0.5495(3) 0.37049(15) 0.0236(8) Uani 1 1 d . . .
C22 C 0.43634(17) 0.4706(4) 0.36570(16) 0.0298(9) Uani 1 1 d . . .
H22A H 0.4411 0.3864 0.3790 0.036 Uiso 1 1 calc R . .
C23 C 0.37947(18) 0.5192(4) 0.34079(18) 0.0366(10) Uani 1 1 d . . .
H23A H 0.3459 0.4672 0.3374 0.044 Uiso 1 1 calc R . .
C24 C 0.37271(19) 0.6432(4) 0.32131(18) 0.0370(10) Uani 1 1 d . . .
H24A H 0.3344 0.6741 0.3043 0.044 Uiso 1 1 calc R . .
C25 C 0.42113(19) 0.7230(4) 0.32625(17) 0.0351(10) Uani 1 1 d . . .
H25A H 0.4158 0.8072 0.3129 0.042 Uiso 1 1 calc R . .
C26 C 0.47784(18) 0.6765(4) 0.35128(16) 0.0304(9) Uani 1 1 d . . .
H26A H 0.5109 0.7303 0.3554 0.036 Uiso 1 1 calc R . .
C27 C 0.60171(16) 0.6205(4) 0.43732(15) 0.0250(8) Uani 1 1 d . . .
C28 C 0.58209(19) 0.6651(4) 0.48375(17) 0.0341(9) Uani 1 1 d . . .
H28A H 0.5494 0.6266 0.4930 0.041 Uiso 1 1 calc R . .
C29 C 0.6115(2) 0.7676(4) 0.51634(19) 0.0438(11) Uani 1 1 d . . .
H29A H 0.5994 0.7956 0.5482 0.053 Uiso 1 1 calc R . .
C30 C 0.6584(2) 0.8270(4) 0.5014(2) 0.0463(12) Uani 1 1 d . . .
H30A H 0.6781 0.8949 0.5234 0.056 Uiso 1 1 calc R . .
C31 C 0.6765(2) 0.7875(4) 0.4544(2) 0.0430(11) Uani 1 1 d . . .
H31A H 0.7074 0.8305 0.4439 0.052 Uiso 1 1 calc R . .
C32 C 0.64875(17) 0.6830(4) 0.42229(17) 0.0294(9) Uani 1 1 d . . .
H32A H 0.6616 0.6550 0.3909 0.035 Uiso 1 1 calc R . .
C33 C 0.55967(15) 0.3496(3) 0.43833(15) 0.0217(7) Uani 1 1 d . . .
C34 C 0.57925(17) 0.3498(4) 0.49814(16) 0.0290(9) Uani 1 1 d . . .
H34A H 0.5937 0.4250 0.5176 0.035 Uiso 1 1 calc R . .
C35 C 0.57708(18) 0.2383(4) 0.52812(17) 0.0350(10) Uani 1 1 d . . .
H35A H 0.5903 0.2390 0.5679 0.042 Uiso 1 1 calc R . .
C36 C 0.55560(19) 0.1253(4) 0.50033(19) 0.0385(10) Uani 1 1 d . . .
H36A H 0.5545 0.0504 0.5210 0.046 Uiso 1 1 calc R . .
C37 C 0.53583(19) 0.1252(4) 0.44134(19) 0.0374(10) Uani 1 1 d . . .
H37A H 0.5209 0.0499 0.4222 0.045 Uiso 1 1 calc R . .
C38 C 0.53797(18) 0.2350(4) 0.41063(17) 0.0302(9) Uani 1 1 d . . .
H38A H 0.5248 0.2331 0.3709 0.036 Uiso 1 1 calc R . .
C39 C 0.71181(16) 0.3337(3) 0.45777(15) 0.0228(8) Uani 1 1 d . . .
C40 C 0.72912(18) 0.4393(4) 0.49326(17) 0.0309(9) Uani 1 1 d . . .
H40A H 0.7340 0.5187 0.4774 0.037 Uiso 1 1 calc R . .
C41 C 0.73920(19) 0.4273(4) 0.55235(17) 0.0384(10) Uani 1 1 d . . .
H41A H 0.7506 0.4986 0.5758 0.046 Uiso 1 1 calc R . .
C42 C 0.73235(18) 0.3100(5) 0.57602(17) 0.0384(10) Uani 1 1 d . . .
H42A H 0.7395 0.3018 0.6155 0.046 Uiso 1 1 calc R . .
C43 C 0.71485(18) 0.2045(4) 0.54129(17) 0.0345(9) Uani 1 1 d . . .
H43A H 0.7098 0.1256 0.5574 0.041 Uiso 1 1 calc R . .
C44 C 0.70469(16) 0.2155(4) 0.48202(16) 0.0282(8) Uani 1 1 d . . .
H44A H 0.6932 0.1439 0.4588 0.034 Uiso 1 1 calc R . .
C45 C 0.76005(17) 0.4469(4) 0.37104(16) 0.0273(8) Uani 1 1 d . . .
C46 C 0.81660(18) 0.4338(4) 0.40899(19) 0.0363(10) Uani 1 1 d . . .
H46A H 0.8218 0.3789 0.4402 0.044 Uiso 1 1 calc R . .
C47 C 0.8651(2) 0.5022(5) 0.4003(2) 0.0478(12) Uani 1 1 d . . .
H47A H 0.9028 0.4915 0.4252 0.057 Uiso 1 1 calc R . .
C48 C 0.8575(2) 0.5863(5) 0.3548(2) 0.0474(12) Uani 1 1 d . . .
H48A H 0.8900 0.6334 0.3496 0.057 Uiso 1 1 calc R . .
C49 C 0.8017(2) 0.6003(4) 0.3170(2) 0.0449(11) Uani 1 1 d . . .
H49A H 0.7965 0.6565 0.2862 0.054 Uiso 1 1 calc R . .
C50 C 0.75361(19) 0.5306(4) 0.32521(18) 0.0333(9) Uani 1 1 d . . .
H50A H 0.7162 0.5400 0.2995 0.040 Uiso 1 1 calc R . .
C51 C 0.70795(17) 0.1899(4) 0.35582(16) 0.0262(8) Uani 1 1 d . . .
C52 C 0.7638(2) 0.1438(4) 0.35295(18) 0.0379(10) Uani 1 1 d . . .
H52A H 0.7972 0.1972 0.3622 0.045 Uiso 1 1 calc R . .
C53 C 0.7693(2) 0.0181(5) 0.3362(2) 0.0503(13) Uani 1 1 d . . .
H53A H 0.8067 -0.0119 0.3341 0.060 Uiso 1 1 calc R . .
C54 C 0.7215(3) -0.0621(5) 0.3227(2) 0.0585(15) Uani 1 1 d . . .
H54A H 0.7259 -0.1462 0.3114 0.070 Uiso 1 1 calc R . .
C55 C 0.6661(3) -0.0172(5) 0.3260(3) 0.0653(16) Uani 1 1 d . . .
H55A H 0.6331 -0.0719 0.3175 0.078 Uiso 1 1 calc R . .
C56 C 0.6594(2) 0.1078(4) 0.3417(2) 0.0444(11) Uani 1 1 d . . .
H56A H 0.6217 0.1374 0.3428 0.053 Uiso 1 1 calc R . .
S1 S 0.13002(6) 0.58026(11) 0.17099(5) 0.0432(3) Uani 1 1 d . . .
F1 F 0.17191(16) 0.6059(4) 0.28158(13) 0.0771(10) Uani 1 1 d . . .
F2 F 0.23957(14) 0.5850(4) 0.23609(16) 0.0823(11) Uani 1 1 d . . .
F3 F 0.18810(16) 0.4219(3) 0.24928(14) 0.0759(10) Uani 1 1 d . . .
O1 O 0.14868(19) 0.5010(4) 0.13045(14) 0.0667(11) Uani 1 1 d . . .
O2 O 0.07459(15) 0.5431(3) 0.18402(17) 0.0631(10) Uani 1 1 d . . .
O3 O 0.1356(2) 0.7159(3) 0.16458(16) 0.0723(12) Uani 1 1 d . . .
C1 C 0.1851(2) 0.5473(5) 0.2375(2) 0.0444(11) Uani 1 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
Pd1 0.01550(14) 0.02493(14) 0.01720(13) -0.00066(11) 0.00315(10) 0.00040(11)
Ru1 0.02216(17) 0.0474(2) 0.01689(15) -0.00101(14) 0.00088(12) 0.00109(14)
Cl1 0.0316(5) 0.0461(6) 0.0242(5) -0.0033(4) 0.0115(4) 0.0057(4)
P1 0.0176(5) 0.0241(5) 0.0192(4) -0.0012(4) 0.0036(4) 0.0006(4)
P2 0.0166(5) 0.0243(5) 0.0237(5) 0.0009(4) 0.0033(4) 0.0006(4)
N1 0.0178(15) 0.0299(16) 0.0186(14) -0.0040(13) 0.0028(12) -0.0032(13)
N3 0.0176(16) 0.0304(16) 0.0182(14) -0.0008(13) -0.0009(12) -0.0016(13)
C1M 0.029(2) 0.033(2) 0.031(2) 0.0003(17) 0.0026(17) -0.0061(17)
C2 0.0187(18) 0.031(2) 0.0154(16) -0.0050(15) 0.0029(14) -0.0022(15)
C3M 0.033(2) 0.032(2) 0.035(2) 0.0026(18) 0.0004(18) -0.0089(18)
C6 0.029(2) 0.036(2) 0.026(2) 0.0008(17) -0.0009(17) 0.0091(18)
C5 0.022(2) 0.056(3) 0.0214(19) -0.0027(18) 0.0006(16) 0.0064(19)
C4 0.020(2) 0.051(2) 0.0205(18) -0.0081(17) 0.0044(15) -0.0001(18)
C4M 0.018(2) 0.070(3) 0.040(2) -0.010(2) 0.0032(18) -0.009(2)
C3A 0.0197(19) 0.035(2) 0.0197(18) -0.0026(15) 0.0015(15) 0.0024(16)
C6A 0.0176(19) 0.037(2) 0.0148(16) -0.0025(15) 0.0010(14) 0.0000(16)
C6M 0.044(3) 0.048(3) 0.037(2) 0.009(2) -0.003(2) 0.012(2)
C5M 0.031(3) 0.070(3) 0.039(3) 0.006(2) 0.002(2) 0.015(2)
C11 0.072(4) 0.063(3) 0.026(2) 0.006(2) 0.017(2) -0.003(3)
C12 0.044(3) 0.138(6) 0.014(2) 0.002(3) 0.002(2) 0.032(3)
C13 0.069(4) 0.094(4) 0.032(3) -0.030(3) 0.026(3) -0.037(3)
C14 0.059(3) 0.064(3) 0.026(2) -0.007(2) 0.019(2) 0.005(3)
C15 0.043(3) 0.075(4) 0.030(2) -0.004(2) 0.018(2) -0.005(3)
C11M 0.207(10) 0.075(5) 0.072(4) 0.021(4) 0.076(6) 0.000(5)
C12M 0.080(5) 0.331(14) 0.034(3) 0.023(6) -0.004(3) 0.095(7)
C13M 0.167(8) 0.202(9) 0.084(5) -0.090(6) 0.076(6) -0.136(8)
C14M 0.136(7) 0.091(5) 0.058(4) -0.004(3) 0.040(4) 0.048(5)
C15M 0.047(4) 0.170(7) 0.059(4) -0.020(4) 0.022(3) -0.020(4)
C21 0.0202(19) 0.032(2) 0.0188(17) -0.0032(15) 0.0056(14) 0.0038(15)
C22 0.022(2) 0.034(2) 0.032(2) -0.0047(17) 0.0050(17) 0.0007(16)
C23 0.020(2) 0.049(3) 0.039(2) -0.009(2) 0.0049(18) -0.0012(18)
C24 0.024(2) 0.048(3) 0.034(2) -0.008(2) -0.0005(18) 0.0130(19)
C25 0.033(2) 0.040(2) 0.032(2) 0.0024(18) 0.0064(18) 0.0120(19)
C26 0.028(2) 0.033(2) 0.030(2) -0.0005(17) 0.0081(17) 0.0040(17)
C27 0.022(2) 0.0273(19) 0.0239(18) -0.0027(15) 0.0019(15) 0.0019(15)
C28 0.031(2) 0.037(2) 0.033(2) -0.0084(18) 0.0052(18) 0.0004(18)
C29 0.050(3) 0.041(3) 0.036(2) -0.014(2) 0.003(2) 0.004(2)
C30 0.047(3) 0.033(2) 0.048(3) -0.012(2) -0.007(2) -0.005(2)
C31 0.038(3) 0.033(2) 0.053(3) 0.000(2) 0.003(2) -0.011(2)
C32 0.024(2) 0.029(2) 0.034(2) 0.0009(17) 0.0059(17) 0.0008(16)
C33 0.0143(18) 0.0302(19) 0.0208(17) 0.0036(15) 0.0050(14) 0.0021(14)
C34 0.020(2) 0.042(2) 0.0252(19) 0.0001(17) 0.0060(16) 0.0011(17)
C35 0.025(2) 0.055(3) 0.025(2) 0.0119(19) 0.0074(17) 0.0053(19)
C36 0.029(2) 0.044(2) 0.044(3) 0.018(2) 0.012(2) -0.0013(19)
C37 0.035(2) 0.033(2) 0.043(2) 0.0034(19) 0.008(2) -0.0044(19)
C38 0.030(2) 0.036(2) 0.0252(19) 0.0026(17) 0.0073(17) -0.0017(17)
C39 0.0153(18) 0.0301(19) 0.0223(18) 0.0031(15) 0.0034(14) 0.0048(15)
C40 0.030(2) 0.028(2) 0.031(2) 0.0004(17) 0.0008(17) 0.0006(17)
C41 0.039(3) 0.046(3) 0.025(2) -0.0058(19) 0.0003(18) 0.003(2)
C42 0.029(2) 0.061(3) 0.022(2) 0.005(2) 0.0000(17) 0.013(2)
C43 0.031(2) 0.040(2) 0.031(2) 0.0109(18) 0.0057(18) 0.0090(19)
C44 0.0194(19) 0.032(2) 0.031(2) 0.0034(17) 0.0020(16) 0.0044(16)
C45 0.0205(19) 0.030(2) 0.031(2) -0.0005(16) 0.0066(16) -0.0009(15)
C46 0.022(2) 0.041(2) 0.043(2) 0.005(2) 0.0029(18) -0.0011(18)
C47 0.023(2) 0.056(3) 0.060(3) 0.000(3) 0.002(2) -0.008(2)
C48 0.035(3) 0.050(3) 0.061(3) -0.006(2) 0.019(2) -0.021(2)
C49 0.047(3) 0.046(3) 0.046(3) 0.003(2) 0.019(2) -0.016(2)
C50 0.028(2) 0.035(2) 0.036(2) 0.0022(18) 0.0077(18) -0.0053(17)
C51 0.025(2) 0.0274(19) 0.0258(19) 0.0028(15) 0.0063(16) 0.0023(16)
C52 0.031(2) 0.044(3) 0.036(2) -0.005(2) 0.0050(19) 0.0096(19)
C53 0.052(3) 0.050(3) 0.047(3) -0.008(2) 0.009(2) 0.025(3)
C54 0.084(4) 0.033(3) 0.056(3) -0.011(2) 0.014(3) 0.015(3)
C55 0.071(4) 0.037(3) 0.083(4) -0.018(3) 0.011(3) -0.012(3)
C56 0.037(3) 0.032(2) 0.063(3) -0.010(2) 0.011(2) -0.0011(19)
S1 0.0564(8) 0.0335(6) 0.0331(6) 0.0026(5) -0.0006(5) 0.0075(5)
F1 0.086(2) 0.102(3) 0.0388(17) -0.0175(17) 0.0081(16) 0.003(2)
F2 0.0380(18) 0.108(3) 0.094(3) -0.016(2) 0.0044(17) -0.0174(18)
F3 0.082(2) 0.057(2) 0.068(2) 0.0208(16) -0.0192(18) 0.0101(17)
O1 0.099(3) 0.056(2) 0.041(2) -0.0116(17) 0.012(2) 0.012(2)
O2 0.039(2) 0.064(2) 0.078(3) -0.004(2) -0.0005(19) 0.0062(17)
O3 0.113(3) 0.0346(19) 0.066(2) 0.0111(18) 0.017(2) 0.009(2)
C1 0.040(3) 0.047(3) 0.042(3) -0.003(2) 0.002(2) -0.002(2)
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
Pd1 C2 2.029(3) . ?
Pd1 P1 2.2748(10) . ?
Pd1 Cl1 2.3435(9) . ?
Pd1 P2 2.3824(10) . ?
Ru1 C12 2.153(4) . ?
Ru1 C13 2.164(5) . ?
Ru1 C15 2.165(4) . ?
Ru1 C11 2.169(5) . ?
Ru1 C14 2.174(5) . ?
Ru1 C3A 2.180(3) . ?
Ru1 C5 2.186(4) . ?
Ru1 C6A 2.190(3) . ?
Ru1 C6 2.195(4) . ?
Ru1 C4 2.216(4) . ?
P1 C27 1.814(4) . ?
P1 C33 1.819(4) . ?
P1 C21 1.826(4) . ?
P2 C51 1.822(4) . ?
P2 C45 1.827(4) . ?
P2 C39 1.838(4) . ?
N1 C2 1.343(4) . ?
N1 C6A 1.409(5) . ?
N1 C1M 1.456(5) . ?
N3 C2 1.349(5) . ?
N3 C3A 1.411(4) . ?
N3 C3M 1.451(5) . ?
C6 C3A 1.425(5) . ?
C6 C5 1.460(6) . ?
C6 C6M 1.492(6) . ?
C5 C4 1.447(6) . ?
C5 C5M 1.503(6) . ?
C4 C6A 1.425(5) . ?
C4 C4M 1.499(6) . ?
C3A C6A 1.394(5) . ?
C11 C15 1.382(7) . ?
C11 C12 1.433(8) . ?
C11 C11M 1.516(8) . ?
C12 C13 1.446(8) . ?
C12 C12M 1.505(8) . ?
C13 C14 1.411(8) . ?
C13 C13M 1.515(8) . ?
C14 C15 1.373(7) . ?
C14 C14M 1.525(8) . ?
C15 C15M 1.521(7) . ?
C21 C22 1.393(5) . ?
C21 C26 1.398(5) . ?
C22 C23 1.390(5) . ?
C23 C24 1.370(6) . ?
C24 C25 1.372(6) . ?
C25 C26 1.380(5) . ?
C27 C32 1.391(5) . ?
C27 C28 1.393(5) . ?
C28 C29 1.394(6) . ?
C29 C30 1.373(7) . ?
C30 C31 1.370(7) . ?
C31 C32 1.393(6) . ?
C33 C38 1.397(5) . ?
C33 C34 1.399(5) . ?
C34 C35 1.376(6) . ?
C35 C36 1.382(6) . ?
C36 C37 1.381(6) . ?
C37 C38 1.370(5) . ?
C39 C40 1.388(5) . ?
C39 C44 1.390(5) . ?
C40 C41 1.392(5) . ?
C41 C42 1.374(6) . ?
C42 C43 1.378(6) . ?
C43 C44 1.395(5) . ?
C45 C50 1.387(5) . ?
C45 C46 1.395(5) . ?
C46 C47 1.386(6) . ?
C47 C48 1.381(7) . ?
C48 C49 1.382(7) . ?
C49 C50 1.381(6) . ?
C51 C56 1.380(6) . ?
C51 C52 1.393(5) . ?
C52 C53 1.386(6) . ?
C53 C54 1.354(7) . ?
C54 C55 1.383(8) . ?
C55 C56 1.375(6) . ?
S1 O3 1.429(3) . ?
S1 O1 1.429(4) . ?
S1 O2 1.446(4) . ?
S1 C1 1.807(5) . ?
F1 C1 1.330(5) . ?
F2 C1 1.325(6) . ?
F3 C1 1.334(5) . ?