data_4060496
_journal_name_full  'Organometallics'
_journal_year       2005
_chemical_formula_moiety  'C42 H46 Cl P2 Ru +,Cl O4 -, 2 C H2 Cl2'
_chemical_formula_sum    'C44 H50 Cl6 O4 P2 Ru'
_chemical_formula_weight  1018.55
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z'
_cell_length_a  13.564(3)
_cell_length_b  14.897(3)
_cell_length_c  13.853(3)
_cell_angle_alpha  90.00
_cell_angle_beta  117.49(3)
_cell_angle_gamma  90.00
_cell_volume  2483.1(9)
_cell_formula_units_Z  2
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  1.362
_diffrn_ambient_temperature  150(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
Ru Ru 0.410184(16) 0.472739(15) 0.560611(16) 0.01659(7) Uani 1 1 d . A .
Cl1 Cl 0.47470(8) 0.62324(6) 0.61841(7) 0.02772(18) Uani 1 1 d . . .
P1 P 0.27763(7) 0.54295(6) 0.40128(7) 0.01915(16) Uani 1 1 d . . .
P2 P 0.28307(6) 0.48732(5) 0.63521(6) 0.02044(18) Uani 1 1 d . . .
C1 C 0.3718(6) 0.3247(4) 0.3485(4) 0.0640(17) Uani 1 1 d U B .
H1A H 0.3599 0.3737 0.2971 0.096 Uiso 1 1 calc R . .
H1B H 0.2998 0.3026 0.3390 0.096 Uiso 1 1 calc R . .
H1C H 0.4121 0.2758 0.3350 0.096 Uiso 1 1 calc R . .
C2 C 0.4395(4) 0.3590(3) 0.4646(3) 0.0348(8) Uani 1 1 d U . .
C3 C 0.5264(4) 0.4232(3) 0.4959(4) 0.0368(9) Uani 1 1 d U A .
H3 H 0.5407 0.4500 0.4413 0.044 Uiso 1 1 calc R . .
C4 C 0.5899(3) 0.4475(3) 0.6014(4) 0.0381(9) Uani 1 1 d U . .
H4 H 0.6465 0.4912 0.6186 0.046 Uiso 1 1 calc R B .
C5 C 0.5729(3) 0.4079(3) 0.6887(3) 0.0321(8) Uani 1 1 d U A .
C6 C 0.4857(3) 0.3459(3) 0.6568(3) 0.0295(8) Uani 1 1 d U . .
H6 H 0.4709 0.3192 0.7110 0.035 Uiso 1 1 calc R B .
C7 C 0.4183(3) 0.3215(3) 0.5457(3) 0.0313(8) Uani 1 1 d U A .
H7 H 0.3592 0.2798 0.5269 0.038 Uiso 1 1 calc R . .
C8 C 0.6525(5) 0.4288(4) 0.8046(5) 0.079(2) Uani 0.703(11) 1 d PDU A 1
H8 H 0.6471 0.4955 0.8080 0.095 Uiso 0.703(11) 1 calc PR A 1
C8A C 0.6525(5) 0.4288(4) 0.8046(5) 0.079(2) Uani 0.297(11) 1 d PU A 2
H8A H 0.5928 0.4276 0.8279 0.095 Uiso 0.297(11) 1 calc PR A 2
C9 C 0.6327(8) 0.3996(11) 0.8893(7) 0.092(4) Uani 0.703(11) 1 d PDU A 1
H9A H 0.6946 0.4177 0.9589 0.138 Uiso 0.703(11) 1 calc PR A 1
H9B H 0.6259 0.3340 0.8868 0.138 Uiso 0.703(11) 1 calc PR A 1
H9C H 0.5636 0.4264 0.8820 0.138 Uiso 0.703(11) 1 calc PR A 1
C9A C 0.6956(5) 0.5091(6) 0.8576(5) 0.040(3) Uani 0.297(11) 1 d PDU A 2
H9A1 H 0.7508 0.4969 0.9329 0.060 Uiso 0.297(11) 1 calc PR A 2
H9A2 H 0.6355 0.5458 0.8573 0.060 Uiso 0.297(11) 1 calc PR A 2
H9A3 H 0.7310 0.5413 0.8202 0.060 Uiso 0.297(11) 1 calc PR A 2
C10 C 0.7759(5) 0.4139(6) 0.8193(5) 0.071(3) Uani 0.703(11) 1 d PRDU A 1
H10A H 0.7804 0.4372 0.7553 0.107 Uiso 0.703(11) 1 calc PR A 1
H10B H 0.7935 0.3497 0.8273 0.107 Uiso 0.703(11) 1 calc PR A 1
H10C H 0.8292 0.4459 0.8844 0.107 Uiso 0.703(11) 1 calc PR A 1
C10A C 0.7048(15) 0.3416(11) 0.8647(12) 0.056(5) Uani 0.297(11) 1 d PDU A 2
H10D H 0.6704 0.2904 0.8162 0.084 Uiso 0.297(11) 1 calc PR A 2
H10E H 0.6928 0.3362 0.9290 0.084 Uiso 0.297(11) 1 calc PR A 2
H10F H 0.7848 0.3422 0.8873 0.084 Uiso 0.297(11) 1 calc PR A 2
C11 C 0.1487(3) 0.4838(3) 0.3128(3) 0.0281(7) Uani 1 1 d U B 2
C12 C 0.1308(4) 0.3940(3) 0.3304(3) 0.0380(9) Uani 1 1 d U B 2
H12 H 0.1868 0.3622 0.3900 0.046 Uiso 1 1 calc R B 2
C13 C 0.0316(4) 0.3505(4) 0.2615(4) 0.0585(15) Uani 1 1 d U B 2
H13 H 0.0191 0.2902 0.2752 0.070 Uiso 1 1 calc R B 2
C14 C -0.0485(5) 0.3967(5) 0.1727(4) 0.0665(17) Uani 1 1 d U B 2
H14 H -0.1156 0.3672 0.1251 0.080 Uiso 1 1 calc R B 2
C15 C -0.0322(4) 0.4841(5) 0.1527(4) 0.0571(14) Uani 1 1 d U B 2
H15 H -0.0871 0.5137 0.0903 0.069 Uiso 1 1 calc R B 2
C16 C 0.0646(3) 0.5303(3) 0.2232(3) 0.0382(9) Uani 1 1 d U B 2
H16 H 0.0737 0.5919 0.2112 0.046 Uiso 1 1 calc R B 2
C17 C 0.3386(3) 0.5690(2) 0.3096(3) 0.0267(7) Uani 1 1 d U B 2
C18 C 0.2849(4) 0.5498(4) 0.1987(3) 0.0429(10) Uani 1 1 d U B 2
H18 H 0.2128 0.5238 0.1671 0.051 Uiso 1 1 calc R B 2
C19 C 0.3367(5) 0.5685(5) 0.1330(4) 0.0594(14) Uani 1 1 d U B 2
H19 H 0.2979 0.5582 0.0568 0.071 Uiso 1 1 calc R B 2
C20 C 0.4452(5) 0.6024(4) 0.1800(5) 0.0559(13) Uani 1 1 d U B 2
H20 H 0.4816 0.6124 0.1366 0.067 Uiso 1 1 calc R B 2
C21 C 0.4992(4) 0.6214(3) 0.2906(4) 0.0406(9) Uani 1 1 d U B 2
H21 H 0.5727 0.6446 0.3232 0.049 Uiso 1 1 calc R B 2
C22 C 0.4447(3) 0.6062(3) 0.3539(3) 0.0294(7) Uani 1 1 d U B 2
H22 H 0.4811 0.6216 0.4289 0.035 Uiso 1 1 calc R B 2
C23 C 0.2311(3) 0.6511(2) 0.4299(3) 0.0255(7) Uani 1 1 d U B 2
C24 C 0.1577(3) 0.6504(3) 0.4707(3) 0.0317(8) Uani 1 1 d U B 2
C25 C 0.0937(3) 0.5705(3) 0.4746(3) 0.0324(8) Uani 1 1 d U B 2
C26 C 0.1331(3) 0.4987(3) 0.5410(3) 0.0281(7) Uani 1 1 d U B 2
C27 C 0.2802(4) 0.7370(3) 0.4113(4) 0.0358(9) Uani 1 1 d U B 2
H27A H 0.2287 0.7628 0.3407 0.054 Uiso 1 1 calc R B 2
H27B H 0.3512 0.7236 0.4119 0.054 Uiso 1 1 calc R B 2
H27C H 0.2923 0.7800 0.4692 0.054 Uiso 1 1 calc R B 2
C28 C 0.1245(5) 0.7371(3) 0.5075(5) 0.0504(12) Uani 1 1 d U B 2
H28A H 0.1888 0.7611 0.5715 0.076 Uiso 1 1 calc R B 2
H28B H 0.0644 0.7243 0.5261 0.076 Uiso 1 1 calc R B 2
H28C H 0.0990 0.7813 0.4485 0.076 Uiso 1 1 calc R B 2
C29 C -0.0292(3) 0.5789(4) 0.3971(4) 0.0517(14) Uani 1 1 d U B 2
H29A H -0.0458 0.5483 0.3287 0.078 Uiso 1 1 calc R B 2
H29B H -0.0490 0.6425 0.3826 0.078 Uiso 1 1 calc R B 2
H29C H -0.0723 0.5515 0.4300 0.078 Uiso 1 1 calc R B 2
C30 C 0.0534(3) 0.4268(3) 0.5394(4) 0.0401(10) Uani 1 1 d U B 2
H30A H -0.0186 0.4542 0.5220 0.060 Uiso 1 1 calc R B 2
H30B H 0.0835 0.3980 0.6109 0.060 Uiso 1 1 calc R B 2
H30C H 0.0438 0.3818 0.4841 0.060 Uiso 1 1 calc R B 2
C31 C 0.3060(4) 0.5777(3) 0.7349(3) 0.0282(8) Uani 1 1 d U B 2
C32 C 0.4140(4) 0.6007(3) 0.8101(3) 0.0366(9) Uani 1 1 d U B 2
H32 H 0.4756 0.5762 0.8041 0.044 Uiso 1 1 calc R B 2
C33 C 0.4315(6) 0.6605(4) 0.8951(4) 0.0564(13) Uani 1 1 d U B 2
H33 H 0.5051 0.6769 0.9457 0.068 Uiso 1 1 calc R B 2
C34 C 0.3446(7) 0.6952(4) 0.9058(5) 0.0665(16) Uani 1 1 d U B 2
H34 H 0.3576 0.7360 0.9632 0.080 Uiso 1 1 calc R B 2
C35 C 0.2353(6) 0.6709(4) 0.8319(5) 0.0616(15) Uani 1 1 d U B 2
H35 H 0.1741 0.6943 0.8395 0.074 Uiso 1 1 calc R B 2
C36 C 0.2173(4) 0.6116(3) 0.7468(4) 0.0407(9) Uani 1 1 d U B 2
H36 H 0.1437 0.5946 0.6969 0.049 Uiso 1 1 calc R B 2
C37 C 0.2901(3) 0.3876(3) 0.7176(3) 0.0253(7) Uani 1 1 d U B 2
C38 C 0.2583(3) 0.3029(3) 0.6683(4) 0.0331(8) Uani 1 1 d U B 2
H38 H 0.2308 0.2983 0.5918 0.040 Uiso 1 1 calc R B 2
C39 C 0.2656(3) 0.2257(3) 0.7275(4) 0.0379(9) Uani 1 1 d U B 2
H39 H 0.2433 0.1693 0.6920 0.046 Uiso 1 1 calc R B 2
C40 C 0.3061(4) 0.2326(3) 0.8398(4) 0.0448(11) Uani 1 1 d U B 2
H40 H 0.3112 0.1804 0.8812 0.054 Uiso 1 1 calc R B 2
C41 C 0.3390(4) 0.3146(3) 0.8913(4) 0.0451(10) Uani 1 1 d U B 2
H41 H 0.3681 0.3181 0.9681 0.054 Uiso 1 1 calc R B 2
C42 C 0.3297(3) 0.3936(3) 0.8307(3) 0.0343(8) Uani 1 1 d U B 2
H42 H 0.3502 0.4501 0.8662 0.041 Uiso 1 1 calc R B 2
Cl2 Cl 0.82909(8) 0.60435(7) 0.59541(9) 0.0380(2) Uani 1 1 d . C 2
O1 O 0.7898(13) 0.6105(10) 0.6764(10) 0.087(4) Uani 0.620(16) 1 d PU D 1
O2 O 0.7981(13) 0.5238(9) 0.5415(16) 0.122(6) Uani 0.620(16) 1 d PU D 1
O3 O 0.9446(7) 0.5992(9) 0.6616(10) 0.098(4) Uani 0.620(16) 1 d PU D 1
O4 O 0.8018(12) 0.6782(7) 0.5281(10) 0.112(5) Uani 0.620(16) 1 d PU D 1
O1A O 0.903(3) 0.538(3) 0.657(3) 0.221(18) Uani 0.380(16) 1 d PU C 2
O3A O 0.8975(19) 0.6617(17) 0.570(2) 0.124(10) Uani 0.380(16) 1 d PU C 2
O4A O 0.758(2) 0.643(2) 0.628(3) 0.127(11) Uani 0.380(16) 1 d PU C 2
O2A O 0.747(3) 0.582(2) 0.4883(15) 0.143(10) Uani 0.380(16) 1 d PU C 2
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
Ru 0.01537(10) 0.01695(11) 0.01668(10) 0.00006(10) 0.00674(8) 0.00013(10)
Cl1 0.0311(4) 0.0211(4) 0.0305(4) -0.0053(3) 0.0138(4) -0.0071(3)
P1 0.0181(4) 0.0198(4) 0.0187(4) 0.0022(3) 0.0077(3) -0.0004(3)
P2 0.0196(3) 0.0218(5) 0.0219(3) 0.0034(3) 0.0112(3) 0.0018(3)
C1 0.087(4) 0.055(3) 0.030(2) -0.010(2) 0.011(2) 0.033(3)
C2 0.044(2) 0.0294(18) 0.0256(17) -0.0007(14) 0.0112(16) 0.0200(16)
C3 0.053(2) 0.029(2) 0.046(2) 0.0144(16) 0.038(2) 0.0176(17)
C4 0.0212(16) 0.0292(19) 0.069(3) -0.0026(16) 0.0247(17) 0.0000(13)
C5 0.0242(16) 0.0321(18) 0.0314(17) -0.0026(15) 0.0054(14) 0.0086(14)
C6 0.0286(18) 0.0257(17) 0.0359(19) 0.0117(15) 0.0163(15) 0.0111(14)
C7 0.0279(18) 0.0201(16) 0.0349(19) 0.0007(14) 0.0050(16) 0.0028(13)
C8 0.053(3) 0.089(4) 0.049(3) -0.027(3) -0.015(2) 0.041(3)
C8A 0.053(3) 0.089(4) 0.049(3) -0.027(3) -0.015(2) 0.041(3)
C9 0.058(5) 0.154(12) 0.050(4) -0.005(6) 0.012(4) 0.025(6)
C9A 0.013(5) 0.074(7) 0.018(6) -0.008(5) -0.005(4) 0.001(5)
C10 0.034(3) 0.119(8) 0.040(4) -0.011(4) -0.001(3) 0.024(4)
C10A 0.045(9) 0.080(8) 0.017(6) -0.001(6) -0.007(5) -0.004(8)
C11 0.0238(14) 0.032(2) 0.0210(13) 0.0043(15) 0.0038(11) -0.0054(15)
C12 0.038(2) 0.031(2) 0.0301(18) 0.0011(16) 0.0034(16) -0.0097(17)
C13 0.044(3) 0.049(3) 0.049(3) 0.003(2) -0.008(2) -0.018(2)
C14 0.047(3) 0.070(4) 0.044(3) 0.007(3) -0.011(2) -0.021(3)
C15 0.035(2) 0.074(4) 0.036(2) 0.009(3) -0.0066(16) -0.013(3)
C16 0.0301(19) 0.045(2) 0.0291(19) 0.0107(17) 0.0042(15) -0.0015(17)
C17 0.0339(18) 0.0259(17) 0.0224(16) 0.0037(13) 0.0148(14) 0.0052(14)
C18 0.039(2) 0.067(3) 0.0255(19) 0.0037(18) 0.0170(16) 0.010(2)
C19 0.076(3) 0.084(4) 0.033(2) 0.007(2) 0.037(2) 0.012(3)
C20 0.070(3) 0.069(3) 0.058(3) 0.020(3) 0.055(3) 0.017(3)
C21 0.053(2) 0.036(2) 0.053(2) 0.0128(19) 0.042(2) 0.0063(19)
C22 0.0340(19) 0.0277(17) 0.0368(19) 0.0038(15) 0.0251(16) 0.0024(15)
C23 0.0274(17) 0.0186(15) 0.0300(17) 0.0077(13) 0.0129(14) 0.0056(12)
C24 0.0312(18) 0.0318(18) 0.0363(19) 0.0113(15) 0.0192(16) 0.0140(15)
C25 0.0194(16) 0.045(2) 0.037(2) 0.0147(17) 0.0166(15) 0.0071(15)
C26 0.0157(14) 0.038(2) 0.0325(17) 0.0092(13) 0.0123(13) 0.0045(12)
C27 0.041(2) 0.0219(17) 0.051(2) 0.0102(16) 0.0267(19) 0.0025(15)
C28 0.068(3) 0.036(2) 0.071(3) 0.017(2) 0.052(3) 0.024(2)
C29 0.0201(18) 0.079(3) 0.059(3) 0.038(3) 0.0201(19) 0.017(2)
C30 0.0213(17) 0.047(2) 0.047(2) 0.0170(19) 0.0115(17) -0.0012(16)
C31 0.043(2) 0.0232(17) 0.0257(17) 0.0014(14) 0.0218(16) 0.0021(15)
C32 0.049(2) 0.037(2) 0.0243(17) 0.0013(15) 0.0174(17) 0.0027(18)
C33 0.089(4) 0.043(3) 0.035(2) -0.0101(19) 0.026(2) -0.015(3)
C34 0.129(5) 0.036(2) 0.042(3) -0.008(2) 0.047(3) 0.009(3)
C35 0.107(4) 0.042(3) 0.060(3) 0.010(2) 0.058(3) 0.033(3)
C36 0.056(3) 0.036(2) 0.040(2) 0.0105(17) 0.031(2) 0.0163(19)
C37 0.0201(15) 0.0238(16) 0.0335(18) 0.0060(14) 0.0137(14) 0.0029(13)
C38 0.0253(17) 0.0329(19) 0.045(2) 0.0060(16) 0.0190(16) 0.0012(14)
C39 0.0248(17) 0.0266(18) 0.064(3) 0.0114(17) 0.0217(18) 0.0021(14)
C40 0.039(2) 0.033(2) 0.061(3) 0.026(2) 0.021(2) 0.0045(17)
C41 0.044(2) 0.047(2) 0.043(2) 0.0217(19) 0.020(2) 0.005(2)
C42 0.0333(19) 0.036(2) 0.0325(18) 0.0106(16) 0.0141(16) 0.0061(16)
Cl2 0.0322(5) 0.0389(5) 0.0490(6) 0.0086(4) 0.0238(4) 0.0060(4)
O1 0.102(10) 0.110(10) 0.085(7) -0.010(6) 0.073(7) -0.023(7)
O2 0.134(10) 0.089(7) 0.212(16) -0.099(9) 0.139(12) -0.068(7)
O3 0.044(4) 0.106(9) 0.129(9) 0.005(7) 0.027(5) 0.024(5)
O4 0.145(11) 0.092(7) 0.122(9) 0.069(7) 0.082(8) 0.062(7)
O1A 0.20(3) 0.16(2) 0.21(3) 0.10(2) 0.02(2) -0.01(2)
O3A 0.119(15) 0.153(18) 0.160(18) -0.092(15) 0.116(15) -0.090(14)
O4A 0.084(12) 0.13(2) 0.18(3) -0.093(19) 0.077(18) 0.010(13)
O2A 0.18(2) 0.16(2) 0.065(10) -0.036(12) 0.034(12) -0.083(18)
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
Ru Cl1 2.4056(10) . ?
Ru P1 2.3526(12) . ?
Ru P2 2.3944(9) . ?
Ru C2 2.299(4) . ?
Ru C3 2.267(4) . ?
Ru C4 2.265(4) . ?
Ru C5 2.311(4) . ?
Ru C6 2.266(4) . ?
Ru C7 2.270(4) . ?
P1 C11 1.833(4) . ?
P1 C17 1.849(4) . ?
P1 C23 1.839(4) . ?
P2 C26 1.849(4) . ?
P2 C31 1.849(4) . ?
P2 C37 1.849(4) . ?
C1 H1A 0.980 . ?
C1 H1B 0.980 . ?
C1 H1C 0.980 . ?
C1 C2 1.525(6) . ?
C2 C3 1.422(7) . ?
C2 C7 1.398(6) . ?
C3 H3 0.950 . ?
C3 C4 1.359(7) . ?
C4 H4 0.950 . ?
C4 C5 1.456(6) . ?
C5 C6 1.402(6) . ?
C5 C8 1.497(7) . ?
C6 H6 0.950 . ?
C6 C7 1.428(6) . ?
C7 H7 0.950 . ?
C8 H8 1.000 . ?
C8 C9 1.388(11) . ?
C8 C10 1.606(8) . ?
C9 H9A 0.980 . ?
C9 H9B 0.980 . ?
C9 H9C 0.980 . ?
C9A H9A1 0.980 . ?
C9A H9A2 0.980 . ?
C9A H9A3 0.980 . ?
C10 H10A 0.980 . ?
C10 H10B 0.980 . ?
C10 H10C 0.980 . ?
C10A H10D 0.980 . ?
C10A H10E 0.980 . ?
C10A H10F 0.980 . ?
C11 C12 1.401(6) . ?
C11 C16 1.419(5) . ?
C12 H12 0.950 . ?
C12 C13 1.398(6) . ?
C13 H13 0.950 . ?
C13 C14 1.391(7) . ?
C14 H14 0.950 . ?
C14 C15 1.370(9) . ?
C15 H15 0.950 . ?
C15 C16 1.403(6) . ?
C16 H16 0.950 . ?
C17 C18 1.393(6) . ?
C17 C22 1.393(6) . ?
C18 H18 0.950 . ?
C18 C19 1.411(6) . ?
C19 H19 0.950 . ?
C19 C20 1.400(9) . ?
C20 H20 0.950 . ?
C20 C21 1.388(8) . ?
C21 H21 0.950 . ?
C21 C22 1.402(5) . ?
C22 H22 0.950 . ?
C23 C24 1.352(5) . ?
C23 C27 1.518(5) . ?
C24 C25 1.489(6) . ?
C24 C28 1.531(6) . ?
C25 C26 1.350(5) . ?
C25 C29 1.515(5) . ?
C26 C30 1.513(5) . ?
C27 H27A 0.980 . ?
C27 H27B 0.980 . ?
C27 H27C 0.980 . ?
C28 H28A 0.980 . ?
C28 H28B 0.980 . ?
C28 H28C 0.980 . ?
C29 H29A 0.980 . ?
C29 H29B 0.980 . ?
C29 H29C 0.980 . ?
C30 H30A 0.980 . ?
C30 H30B 0.980 . ?
C30 H30C 0.980 . ?
C31 C32 1.394(6) . ?
C31 C36 1.383(6) . ?
C32 H32 0.950 . ?
C32 C33 1.407(6) . ?
C33 H33 0.950 . ?
C33 C34 1.356(10) . ?
C34 H34 0.950 . ?
C34 C35 1.407(10) . ?
C35 H35 0.950 . ?
C35 C36 1.400(7) . ?
C36 H36 0.950 . ?
C37 C38 1.404(6) . ?
C37 C42 1.404(6) . ?
C38 H38 0.950 . ?
C38 C39 1.389(6) . ?
C39 H39 0.950 . ?
C39 C40 1.394(8) . ?
C40 H40 0.950 . ?
C40 C41 1.381(8) . ?
C41 H41 0.950 . ?
C41 C42 1.417(6) . ?
C42 H42 0.950 . ?
Cl2 O1A 1.38(3) . ?
Cl2 O3A 1.423(16) . ?
Cl2 O4A 1.361(18) . ?
Cl2 O2A 1.423(18) . ?