# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 186/1987 data_gkl6 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_sum 'C32 H25 Cl2 N5 O7 Ru' _chemical_formula_weight 763.54 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' 'H' 'H' 0.0000 0.0000 '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' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _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 8.693(3) _cell_length_b 13.513(7) _cell_length_c 14.137(6) _cell_angle_alpha 99.88(4) _cell_angle_beta 91.72(4) _cell_angle_gamma 102.42(3) _cell_volume 1593.9(12) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 25 _cell_measurement_theta_min 7.7900 _cell_measurement_theta_max 12.4300 _exptl_crystal_description Blocks _exptl_crystal_colour Violet _exptl_crystal_size_max 0.45 _exptl_crystal_size_mid 0.4 _exptl_crystal_size_min 0.3 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.591 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 772 _exptl_absorpt_coefficient_mu 0.716 _exptl_absorpt_correction_type 'psi-scan' _exptl_absorpt_correction_T_min 0.987 _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_process_details ; psi-scan (North, Philips & Mathews, 1968) ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.70930 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'Enraf Nonius CAD4, 1989' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% negligible _diffrn_reflns_number 5596 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0380 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 16 _diffrn_reflns_theta_min 1.46 _diffrn_reflns_theta_max 24.92 _reflns_number_total 5596 _reflns_number_gt 4669 _reflns_threshold_expression >2sigma(I) _computing_cell_refinement 'Enraf Nonius CAD4, 1989' _computing_data_collection 'Enraf Nonius CAD4, 1989' _computing_data_reduction 'maXus (Mackay et al., 1999)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'maXus (Mackay et al., 1999)' _computing_publication_material 'maXus (Mackay et al., 1999)' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0579P)^2^+2.4963P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5596 _refine_ls_number_parameters 406 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0616 _refine_ls_R_factor_gt 0.0463 _refine_ls_wR_factor_ref 0.1257 _refine_ls_wR_factor_gt 0.1129 _refine_ls_goodness_of_fit_ref 1.111 _refine_ls_restrained_S_all 1.111 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 Ru1 Ru 0.25809(4) 0.31158(3) 0.30757(3) 0.02928(13) Uani 1 d . . . Cl1 Cl 0.38376(14) 0.35916(9) 0.46208(8) 0.0404(3) Uani 1 d . . . N1 N 0.4755(4) 0.3195(3) 0.2498(3) 0.0321(8) Uani 1 d . . . C1 C 0.5465(6) 0.2420(4) 0.2213(3) 0.0395(11) Uani 1 d . . . H1 H 0.4943 0.1744 0.2307 0.050 Uiso 1 d R . . N2 N 0.3155(4) 0.4585(3) 0.2967(3) 0.0310(8) Uani 1 d . . . C2 C 0.6881(6) 0.2566(4) 0.1776(4) 0.0504(13) Uani 1 d . . . H2 H 0.7350 0.1996 0.1574 0.050 Uiso 1 d R . . N3 N 0.0590(4) 0.3604(3) 0.3598(3) 0.0335(8) Uani 1 d . . . C3 C 0.7585(6) 0.3533(4) 0.1634(4) 0.0505(13) Uani 1 d . . . H3 H 0.8548 0.3657 0.1342 0.050 Uiso 1 d R . . N4 N 0.1806(4) 0.1564(3) 0.3203(3) 0.0328(8) Uani 1 d . . . C4 C 0.6872(6) 0.4346(4) 0.1925(3) 0.0422(11) Uani 1 d . . . H4 H 0.7314 0.5032 0.1840 0.050 Uiso 1 d R . . C5 C 0.5458(5) 0.4160(3) 0.2355(3) 0.0338(10) Uani 1 d . . . C6 C 0.4584(5) 0.4962(3) 0.2654(3) 0.0350(10) Uani 1 d . . . C7 C 0.5050(6) 0.6009(4) 0.2654(4) 0.0468(12) Uani 1 d . . . H7 H 0.6025 0.6310 0.2463 0.050 Uiso 1 d R . . C8 C 0.4037(6) 0.6636(4) 0.2947(4) 0.0509(13) Uani 1 d . . . H8 H 0.4308 0.7358 0.2931 0.050 Uiso 1 d R . . C9 C 0.2573(6) 0.6232(4) 0.3247(4) 0.0446(12) Uani 1 d . . . H9 H 0.1809 0.6660 0.3462 0.050 Uiso 1 d R . . C10 C 0.0606(5) 0.1984(3) 0.1308(3) 0.0326(10) Uani 1 d . . . C11 C 0.0659(5) 0.4618(3) 0.3571(3) 0.0339(10) Uani 1 d . . . C12 C -0.0569(5) 0.5072(4) 0.3848(3) 0.0371(10) Uani 1 d . . . H12 H -0.0554 0.5776 0.3789 0.050 Uiso 1 d R . . C13 C -0.1901(5) 0.4492(4) 0.4163(3) 0.0394(11) Uani 1 d . . . H13 H -0.2775 0.4809 0.4385 0.050 Uiso 1 d R . . C14 C -0.1965(5) 0.3478(4) 0.4204(4) 0.0414(11) Uani 1 d . . . H14 H -0.2911 0.3052 0.4394 0.050 Uiso 1 d R . . C15 C -0.0702(5) 0.3055(4) 0.3911(3) 0.0379(10) Uani 1 d . . . H15 H -0.0736 0.2349 0.3946 0.050 Uiso 1 d R . . O1 O 0.1637(4) 0.2813(2) 0.1735(2) 0.0385(7) Uani 1 d . . . C16 C 0.2148(5) 0.5186(3) 0.3247(3) 0.0334(10) Uani 1 d . . . C17 C -0.0017(6) 0.1998(4) 0.0378(4) 0.0440(12) Uani 1 d . . . H17 H 0.0368 0.2585 0.0088 0.050 Uiso 1 d R . . C18 C -0.1205(6) 0.1216(4) -0.0092(4) 0.0502(13) Uani 1 d . . . H18 H -0.1653 0.1210 -0.0725 0.050 Uiso 1 d R . . C19 C -0.1777(6) 0.0383(4) 0.0353(4) 0.0478(13) Uani 1 d . . . C20 C -0.1127(5) 0.0293(4) 0.1223(4) 0.0428(12) Uani 1 d . . . H20 H -0.1472 -0.0309 0.1502 0.050 Uiso 1 d R . . C21 C 0.0086(5) 0.1099(3) 0.1713(3) 0.0372(10) Uani 1 d . . . C22 C 0.0760(5) 0.0926(3) 0.2600(3) 0.0373(10) Uani 1 d . . . H22 H 0.0453 0.0260 0.2776 0.050 Uiso 1 d R . . C23 C 0.2308(6) 0.1151(4) 0.4043(4) 0.0419(11) Uani 1 d . . . H23A H 0.1536 0.0550 0.4116 0.050 Uiso 1 d R . . H23B H 0.2374 0.1675 0.4605 0.050 Uiso 1 d R . . C24 C 0.3898(6) 0.0870(4) 0.3945(4) 0.0398(11) Uani 1 d . . . C25 C 0.4160(7) 0.0159(4) 0.3166(4) 0.0514(13) Uani 1 d . . . H25 H 0.3337 -0.0144 0.2669 0.050 Uiso 1 d R . . C26 C 0.5596(8) -0.0132(5) 0.3108(5) 0.0661(17) Uani 1 d . . . H26 H 0.5796 -0.0607 0.2561 0.050 Uiso 1 d R . . C27 C 0.6765(7) 0.0278(6) 0.3827(6) 0.073(2) Uani 1 d . . . H27 H 0.7746 0.0054 0.3790 0.050 Uiso 1 d R . . C28 C 0.6522(7) 0.0975(5) 0.4600(6) 0.0675(19) Uani 1 d . . . H28 H 0.7374 0.1263 0.5082 0.050 Uiso 1 d R . . C29 C 0.5088(7) 0.1279(4) 0.4656(4) 0.0515(13) Uani 1 d . . . H29 H 0.4939 0.1758 0.5214 0.050 Uiso 1 d R . . N5 N -0.3081(6) -0.0434(5) -0.0130(4) 0.0674(15) Uani 1 d . . . O51 O -0.3674(7) -0.0330(4) -0.0886(4) 0.1042(19) Uani 1 d . . . O52 O -0.3535(7) -0.1167(4) 0.0252(4) 0.1024(19) Uani 1 d . . . Cl2 Cl -0.05684(19) -0.21514(12) 0.28123(16) 0.0731(5) Uani 1 d . . . O21 O -0.0972(7) -0.3185(4) 0.2439(7) 0.150(3) Uani 1 d . . . O22 O 0.0774(9) -0.1693(5) 0.2431(6) 0.155(3) Uani 1 d . . . O23 O -0.1784(10) -0.1687(6) 0.2702(9) 0.199(4) Uani 1 d . . . O24 O -0.0187(14) -0.2187(10) 0.3764(7) 0.205(5) Uani 1 d . . . C51 C 0.5000 0.5000 0.0000 0.208(10) Uiso 1 d SG . . C52 C 0.8167(6) 0.4903(10) -0.0562(10) 0.111(6) Uiso 0.50 d PG . . C53 C 0.4839(9) 0.37090(8) -0.0262(8) 0.110(6) Uiso 0.50 d PG . . C54 C 0.8133(12) 0.3817(11) -0.0816(10) 0.172(10) Uiso 0.50 d PG . . C55 C 0.6187(14) 0.3119(6) -0.0647(11) 0.112(6) Uiso 0.50 d PG . . C56 C 0.6603(4) 0.5315(5) -0.0252(6) 0.113(6) Uiso 0.50 d PG . . 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 Ru1 0.02445(19) 0.02349(19) 0.0376(2) 0.00257(14) 0.00055(14) 0.00298(13) Cl1 0.0401(6) 0.0371(6) 0.0404(6) -0.0012(5) -0.0046(5) 0.0084(5) N1 0.0283(19) 0.032(2) 0.0319(19) 0.0000(15) -0.0009(15) 0.0024(15) C1 0.037(3) 0.035(3) 0.044(3) -0.002(2) 0.003(2) 0.009(2) N2 0.0295(19) 0.0272(19) 0.0327(19) -0.0005(15) -0.0005(15) 0.0034(15) C2 0.043(3) 0.048(3) 0.059(3) -0.001(3) 0.015(2) 0.016(2) N3 0.0265(18) 0.030(2) 0.042(2) 0.0042(16) 0.0013(16) 0.0055(15) C3 0.036(3) 0.059(3) 0.056(3) 0.006(3) 0.018(2) 0.011(2) N4 0.0280(19) 0.0293(19) 0.041(2) 0.0070(16) 0.0023(16) 0.0067(16) C4 0.036(3) 0.045(3) 0.044(3) 0.008(2) 0.005(2) 0.005(2) C5 0.030(2) 0.033(2) 0.035(2) 0.0016(19) 0.0002(18) 0.0025(19) C6 0.028(2) 0.035(2) 0.040(2) 0.0068(19) -0.0008(19) 0.0006(19) C7 0.040(3) 0.037(3) 0.057(3) 0.011(2) 0.002(2) -0.004(2) C8 0.053(3) 0.030(3) 0.068(4) 0.012(2) 0.003(3) 0.003(2) C9 0.047(3) 0.028(2) 0.059(3) 0.009(2) 0.004(2) 0.009(2) C10 0.023(2) 0.033(2) 0.040(2) -0.0016(19) 0.0013(18) 0.0085(18) C11 0.028(2) 0.032(2) 0.040(2) 0.0007(19) -0.0041(19) 0.0091(18) C12 0.038(3) 0.032(2) 0.040(3) 0.001(2) -0.006(2) 0.011(2) C13 0.033(2) 0.045(3) 0.038(3) -0.002(2) 0.001(2) 0.014(2) C14 0.026(2) 0.045(3) 0.048(3) 0.002(2) 0.005(2) 0.003(2) C15 0.033(2) 0.033(2) 0.046(3) 0.005(2) 0.004(2) 0.007(2) O1 0.0397(18) 0.0352(17) 0.0367(17) 0.0044(14) -0.0053(14) 0.0028(14) C16 0.032(2) 0.030(2) 0.038(2) 0.0049(19) -0.0003(19) 0.0069(19) C17 0.041(3) 0.048(3) 0.042(3) 0.003(2) 0.000(2) 0.012(2) C18 0.044(3) 0.057(3) 0.043(3) -0.011(2) -0.007(2) 0.013(3) C19 0.032(2) 0.044(3) 0.056(3) -0.017(2) -0.005(2) 0.005(2) C20 0.033(2) 0.034(3) 0.054(3) -0.006(2) -0.003(2) 0.005(2) C21 0.030(2) 0.032(2) 0.045(3) 0.000(2) -0.004(2) 0.0054(19) C22 0.034(2) 0.025(2) 0.052(3) 0.003(2) 0.002(2) 0.0068(19) C23 0.042(3) 0.036(3) 0.046(3) 0.011(2) 0.001(2) 0.004(2) C24 0.046(3) 0.029(2) 0.045(3) 0.014(2) -0.001(2) 0.006(2) C25 0.055(3) 0.047(3) 0.056(3) 0.017(3) 0.002(3) 0.014(3) C26 0.068(4) 0.059(4) 0.087(5) 0.031(3) 0.027(4) 0.031(3) C27 0.043(3) 0.068(4) 0.119(6) 0.049(4) 0.008(4) 0.012(3) C28 0.048(3) 0.049(4) 0.104(5) 0.035(4) -0.024(3) -0.005(3) C29 0.055(3) 0.038(3) 0.059(3) 0.020(2) -0.009(3) 0.000(2) N5 0.048(3) 0.066(4) 0.070(4) -0.021(3) -0.013(3) 0.001(3) O51 0.100(4) 0.105(4) 0.075(3) -0.014(3) -0.046(3) -0.017(3) O52 0.086(4) 0.069(3) 0.122(5) 0.003(3) -0.038(3) -0.029(3) Cl2 0.0590(9) 0.0460(8) 0.1173(15) 0.0297(9) 0.0021(9) 0.0066(7) O21 0.089(4) 0.051(3) 0.298(10) 0.030(5) -0.026(5) -0.004(3) O22 0.135(6) 0.094(5) 0.219(9) 0.045(5) 0.065(6) -0.027(4) O23 0.145(7) 0.126(6) 0.359(14) 0.061(8) -0.009(8) 0.096(6) O24 0.241(11) 0.268(13) 0.149(8) 0.059(8) 0.052(8) 0.132(10) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 Ru1 N2 1.974(4) . ? Ru1 O1 1.982(3) . ? Ru1 N1 2.070(4) . ? Ru1 N3 2.092(4) . ? Ru1 N4 2.100(4) . ? Ru1 Cl1 2.3346(16) . ? N1 C1 1.337(6) . ? N1 C5 1.367(6) . ? C1 C2 1.385(7) . ? N2 C16 1.341(6) . ? N2 C6 1.356(6) . ? C2 C3 1.369(8) . ? N3 C15 1.339(6) . ? N3 C11 1.366(6) . ? C3 C4 1.384(7) . ? N4 C22 1.289(6) . ? N4 C23 1.487(6) . ? C4 C5 1.381(6) . ? C5 C6 1.465(6) . ? C6 C7 1.385(7) . ? C7 C8 1.374(7) . ? C8 C9 1.382(7) . ? C9 C16 1.383(6) . ? C10 O1 1.314(5) . ? C10 C21 1.407(7) . ? C10 C17 1.412(7) . ? C11 C12 1.376(6) . ? C11 C16 1.484(6) . ? C12 C13 1.383(7) . ? C13 C14 1.371(7) . ? C14 C15 1.386(6) . ? C17 C18 1.368(7) . ? C18 C19 1.390(8) . ? C19 C20 1.373(7) . ? C19 N5 1.458(7) . ? C20 C21 1.408(6) . ? C21 C22 1.443(7) . ? C23 C24 1.514(7) . ? C24 C29 1.373(7) . ? C24 C25 1.392(7) . ? C25 C26 1.388(8) . ? C26 C27 1.370(10) . ? C27 C28 1.368(10) . ? C28 C29 1.395(9) . ? N5 O52 1.208(7) . ? N5 O51 1.215(7) . ? Cl2 O23 1.358(6) . ? Cl2 O21 1.370(6) . ? Cl2 O22 1.371(6) . ? Cl2 O24 1.387(10) . ? C51 C56 1.4413 2_665 ? C51 C56 1.4413 . ? C51 C53 1.6941 2_665 ? C51 C53 1.6941 . ? C52 C54 1.4428 . ? C52 C56 1.6212 . ? C53 C55 1.6120 . ? C54 C55 1.7954 . ? 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 N2 Ru1 O1 88.21(14) . . ? N2 Ru1 N1 79.20(15) . . ? O1 Ru1 N1 87.18(14) . . ? N2 Ru1 N3 79.56(15) . . ? O1 Ru1 N3 91.34(14) . . ? N1 Ru1 N3 158.75(15) . . ? N2 Ru1 N4 175.96(14) . . ? O1 Ru1 N4 90.88(14) . . ? N1 Ru1 N4 104.69(14) . . ? N3 Ru1 N4 96.53(14) . . ? N2 Ru1 Cl1 87.55(11) . . ? O1 Ru1 Cl1 175.19(10) . . ? N1 Ru1 Cl1 89.81(11) . . ? N3 Ru1 Cl1 90.11(11) . . ? N4 Ru1 Cl1 93.50(11) . . ? C1 N1 C5 118.7(4) . . ? C1 N1 Ru1 127.7(3) . . ? C5 N1 Ru1 113.5(3) . . ? N1 C1 C2 122.0(5) . . ? C16 N2 C6 122.2(4) . . ? C16 N2 Ru1 118.8(3) . . ? C6 N2 Ru1 118.8(3) . . ? C3 C2 C1 119.2(5) . . ? C15 N3 C11 118.5(4) . . ? C15 N3 Ru1 128.8(3) . . ? C11 N3 Ru1 112.7(3) . . ? C2 C3 C4 119.7(5) . . ? C22 N4 C23 115.3(4) . . ? C22 N4 Ru1 122.1(3) . . ? C23 N4 Ru1 122.4(3) . . ? C5 C4 C3 118.9(5) . . ? N1 C5 C4 121.5(4) . . ? N1 C5 C6 115.6(4) . . ? C4 C5 C6 122.9(4) . . ? N2 C6 C7 119.1(4) . . ? N2 C6 C5 112.7(4) . . ? C7 C6 C5 128.2(4) . . ? C8 C7 C6 119.3(5) . . ? C7 C8 C9 120.6(5) . . ? C8 C9 C16 118.8(5) . . ? O1 C10 C21 124.7(4) . . ? O1 C10 C17 116.8(4) . . ? C21 C10 C17 118.5(4) . . ? N3 C11 C12 121.3(4) . . ? N3 C11 C16 115.4(4) . . ? C12 C11 C16 123.2(4) . . ? C11 C12 C13 119.5(4) . . ? C14 C13 C12 119.3(4) . . ? C13 C14 C15 119.0(4) . . ? N3 C15 C14 122.4(4) . . ? C10 O1 Ru1 127.6(3) . . ? N2 C16 C9 119.9(4) . . ? N2 C16 C11 113.4(4) . . ? C9 C16 C11 126.7(4) . . ? C18 C17 C10 121.4(5) . . ? C17 C18 C19 118.8(5) . . ? C20 C19 C18 122.0(5) . . ? C20 C19 N5 119.0(5) . . ? C18 C19 N5 119.0(5) . . ? C19 C20 C21 119.3(5) . . ? C10 C21 C20 119.6(4) . . ? C10 C21 C22 124.4(4) . . ? C20 C21 C22 115.9(4) . . ? N4 C22 C21 127.6(4) . . ? N4 C23 C24 112.7(4) . . ? C29 C24 C25 118.7(5) . . ? C29 C24 C23 120.1(5) . . ? C25 C24 C23 121.1(5) . . ? C26 C25 C24 120.6(6) . . ? C27 C26 C25 119.9(7) . . ? C28 C27 C26 120.2(6) . . ? C27 C28 C29 120.2(6) . . ? C24 C29 C28 120.4(6) . . ? O52 N5 O51 123.5(6) . . ? O52 N5 C19 118.2(6) . . ? O51 N5 C19 118.2(6) . . ? O23 Cl2 O21 111.8(5) . . ? O23 Cl2 O22 112.6(6) . . ? O21 Cl2 O22 110.3(5) . . ? O23 Cl2 O24 113.4(7) . . ? O21 Cl2 O24 99.9(6) . . ? O22 Cl2 O24 108.1(6) . . ? C56 C51 C56 180.0(5) 2_665 . ? C56 C51 C53 97.9 2_665 2_665 ? C56 C51 C53 82.1(5) . 2_665 ? C56 C51 C53 82.1(5) 2_665 . ? C56 C51 C53 97.9 . . ? C53 C51 C53 180.0(8) 2_665 . ? C54 C52 C56 121.7 . . ? C55 C53 C51 126.9 . . ? C52 C54 C55 107.8 . . ? C53 C55 C54 121.3 . . ? C51 C56 C52 143.8 . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 24.92 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.252 _refine_diff_density_min -0.448 _refine_diff_density_rms 0.100