# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2001 # CCDC Number: 186/2301 data_1 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '[PtCl(L)(LH)](NO3)2.1.5H2O, L=(Ph2PCH2CH2NMe2)' _chemical_formula_sum 'C32 H44 Cl N4 O7.50 P2 Pt' _chemical_formula_weight 897.19 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' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 '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' 'Pt' 'Pt' -1.7033 8.3905 '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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P21/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 12.009(3) _cell_length_b 12.415(3) _cell_length_c 24.278(5) _cell_angle_alpha 90.00 _cell_angle_beta 91.74(2) _cell_angle_gamma 90.00 _cell_volume 3618.0(13) _cell_formula_units_Z 4 _cell_measurement_temperature 150(2) _cell_measurement_reflns_used 45 _cell_measurement_theta_min 14 _cell_measurement_theta_max 15 _exptl_crystal_description block _exptl_crystal_colour Colorless _exptl_crystal_size_max 0.27 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.647 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1796 _exptl_absorpt_coefficient_mu 4.092 _exptl_absorpt_correction_type Numerical _exptl_absorpt_correction_T_min 0.664 _exptl_absorpt_correction_T_max 0.855 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method 'Omega-theta with learnt-profile' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count ? _diffrn_standards_interval_time 60 _diffrn_standards_decay_% 2 _diffrn_reflns_number 7390 _diffrn_reflns_av_R_equivalents 0.0734 _diffrn_reflns_av_sigmaI/netI 0.0583 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_theta_min 2.52 _diffrn_reflns_theta_max 25.04 _reflns_number_total 6396 _reflns_number_gt 4953 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Stoe DIF4' _computing_cell_refinement 'Stoe DIF4' _computing_data_reduction 'Stoe REDU4' _computing_structure_solution DIRDIF _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics SHELXTL _computing_publication_material ? _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^)+(0.0275P)^2^+14.0467P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary Patterson _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens 'geometric (not placed on H2O)' _refine_ls_hydrogen_treatment riding _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6396 _refine_ls_number_parameters 424 _refine_ls_number_restraints 30 _refine_ls_R_factor_all 0.0625 _refine_ls_R_factor_gt 0.0400 _refine_ls_wR_factor_ref 0.0874 _refine_ls_wR_factor_gt 0.0792 _refine_ls_goodness_of_fit_ref 1.041 _refine_ls_restrained_S_all 1.046 _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_symetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt 0.24752(2) 0.14872(2) 0.159453(9) 0.01821(8) Uani 1 1 d . . . Cl1 Cl 0.21606(15) 0.02930(14) 0.23373(6) 0.0285(4) Uani 1 1 d . . . P1A P 0.26616(15) 0.27634(14) 0.09569(7) 0.0212(4) Uani 1 1 d . . . C11A C 0.3905(6) 0.3584(6) 0.1013(3) 0.0244(15) Uani 1 1 d . . . C12A C 0.4615(6) 0.3758(5) 0.0585(3) 0.0240(16) Uani 1 1 d . . . H12A H 0.4444 0.3469 0.0231 0.029 Uiso 1 1 calc R . . C13A C 0.5579(6) 0.4357(6) 0.0675(3) 0.0325(18) Uani 1 1 d . . . H13A H 0.6065 0.4478 0.0380 0.039 Uiso 1 1 calc R . . C14A C 0.5838(7) 0.4780(6) 0.1191(3) 0.0361(19) Uani 1 1 d . . . H14A H 0.6506 0.5177 0.1252 0.043 Uiso 1 1 calc R . . C15A C 0.5120(7) 0.4620(6) 0.1614(3) 0.0335(18) Uani 1 1 d . . . H15A H 0.5291 0.4919 0.1966 0.040 Uiso 1 1 calc R . . C16A C 0.4163(7) 0.4037(6) 0.1533(3) 0.0295(18) Uani 1 1 d . . . H16A H 0.3671 0.3938 0.1828 0.035 Uiso 1 1 calc R . . C21A C 0.2457(6) 0.2355(6) 0.0246(3) 0.0258(16) Uani 1 1 d . . . C22A C 0.2382(6) 0.3148(6) -0.0159(3) 0.0326(18) Uani 1 1 d . . . H22A H 0.2404 0.3889 -0.0062 0.039 Uiso 1 1 calc R . . C23A C 0.2274(6) 0.2830(7) -0.0710(3) 0.037(2) Uani 1 1 d . . . H23A H 0.2214 0.3359 -0.0992 0.045 Uiso 1 1 calc R . . C24A C 0.2255(6) 0.1752(7) -0.0847(3) 0.036(2) Uani 1 1 d . . . H24A H 0.2239 0.1546 -0.1224 0.044 Uiso 1 1 calc R . . C25A C 0.2258(6) 0.0967(7) -0.0444(3) 0.0369(19) Uani 1 1 d . . . H25A H 0.2183 0.0229 -0.0541 0.044 Uiso 1 1 calc R . . C26A C 0.2374(6) 0.1277(6) 0.0108(3) 0.0242(16) Uani 1 1 d . . . H26A H 0.2397 0.0745 0.0389 0.029 Uiso 1 1 calc R . . C2A C 0.1493(6) 0.3649(6) 0.1102(3) 0.0302(17) Uani 1 1 d . . . H2A1 H 0.1673 0.4112 0.1425 0.036 Uiso 1 1 calc R . . H2A2 H 0.1313 0.4117 0.0781 0.036 Uiso 1 1 calc R . . C3A C 0.0524(6) 0.2913(6) 0.1219(3) 0.0299(17) Uani 1 1 d . . . H3A1 H -0.0124 0.3349 0.1327 0.036 Uiso 1 1 calc R . . H3A2 H 0.0309 0.2507 0.0881 0.036 Uiso 1 1 calc R . . N4A N 0.0832(5) 0.2140(5) 0.1672(2) 0.0222(13) Uani 1 1 d . . . C5A C 0.0799(6) 0.2700(6) 0.2218(3) 0.0292(17) Uani 1 1 d . . . H5A1 H 0.1004 0.2190 0.2512 0.044 Uiso 1 1 calc R . . H5A2 H 0.0045 0.2973 0.2274 0.044 Uiso 1 1 calc R . . H5A3 H 0.1327 0.3302 0.2224 0.044 Uiso 1 1 calc R . . C6A C -0.0044(6) 0.1285(6) 0.1663(3) 0.0328(18) Uani 1 1 d . . . H6A1 H 0.0127 0.0755 0.1952 0.049 Uiso 1 1 calc R . . H6A2 H -0.0063 0.0927 0.1303 0.049 Uiso 1 1 calc R . . H6A3 H -0.0771 0.1613 0.1727 0.049 Uiso 1 1 calc R . . P1B P 0.41945(14) 0.07500(14) 0.15820(6) 0.0181(4) Uani 1 1 d . . . C11B C 0.4135(5) -0.0689(5) 0.1425(2) 0.0170(14) Uani 1 1 d . . . C12B C 0.5078(6) -0.1315(6) 0.1496(3) 0.0257(16) Uani 1 1 d . . . H12B H 0.5754 -0.1005 0.1634 0.031 Uiso 1 1 calc R . . C13B C 0.5031(6) -0.2408(6) 0.1363(3) 0.0310(17) Uani 1 1 d . . . H13B H 0.5675 -0.2847 0.1411 0.037 Uiso 1 1 calc R . . C14B C 0.4043(6) -0.2853(6) 0.1159(3) 0.0276(17) Uani 1 1 d . . . H14B H 0.4013 -0.3597 0.1068 0.033 Uiso 1 1 calc R . . C15B C 0.3108(6) -0.2227(6) 0.1087(2) 0.0247(16) Uani 1 1 d . . . H15B H 0.2438 -0.2539 0.0943 0.030 Uiso 1 1 calc R . . C16B C 0.3134(6) -0.1135(5) 0.1223(2) 0.0208(15) Uani 1 1 d . . . H16B H 0.2484 -0.0703 0.1180 0.025 Uiso 1 1 calc R . . C21B C 0.5251(5) 0.1234(5) 0.1122(2) 0.0199(15) Uani 1 1 d . . . C22B C 0.6199(6) 0.1769(6) 0.1302(3) 0.0260(16) Uani 1 1 d . . . H22B H 0.6316 0.1910 0.1684 0.031 Uiso 1 1 calc R . . C23B C 0.6982(6) 0.2104(6) 0.0931(3) 0.0300(17) Uani 1 1 d . . . H23B H 0.7635 0.2469 0.1060 0.036 Uiso 1 1 calc R . . C24B C 0.6812(6) 0.1907(6) 0.0375(3) 0.0308(17) Uani 1 1 d . . . H24B H 0.7358 0.2122 0.0122 0.037 Uiso 1 1 calc R . . C25B C 0.5851(6) 0.1397(6) 0.0184(3) 0.0282(16) Uani 1 1 d . . . H25B H 0.5722 0.1294 -0.0201 0.034 Uiso 1 1 calc R . . C26B C 0.5078(6) 0.1036(6) 0.0555(3) 0.0247(15) Uani 1 1 d . . . H26B H 0.4433 0.0657 0.0426 0.030 Uiso 1 1 calc R . . C2B C 0.4837(6) 0.0843(5) 0.2273(2) 0.0227(15) Uani 1 1 d . . . H2B1 H 0.4511 0.0292 0.2514 0.027 Uiso 1 1 calc R . . H2B2 H 0.5647 0.0704 0.2255 0.027 Uiso 1 1 calc R . . C3B C 0.4644(6) 0.1958(6) 0.2511(3) 0.0264(16) Uani 1 1 d . . . H3B1 H 0.4996 0.2499 0.2273 0.032 Uiso 1 1 calc R . . H3B2 H 0.3833 0.2105 0.2505 0.032 Uiso 1 1 calc R . . N4B N 0.5097(5) 0.2095(5) 0.3092(2) 0.0254(13) Uani 1 1 d . . . H4B H 0.5858 0.1957 0.3094 0.030 Uiso 1 1 calc R . . C5B C 0.4931(7) 0.3246(6) 0.3255(3) 0.040(2) Uani 1 1 d . . . H5B1 H 0.5289 0.3719 0.2990 0.059 Uiso 1 1 calc R . . H5B2 H 0.5262 0.3367 0.3623 0.059 Uiso 1 1 calc R . . H5B3 H 0.4132 0.3406 0.3257 0.059 Uiso 1 1 calc R . . C6B C 0.4574(6) 0.1341(7) 0.3489(3) 0.0364(19) Uani 1 1 d . . . H6B1 H 0.4903 0.1455 0.3858 0.055 Uiso 1 1 calc R . . H6B2 H 0.4704 0.0596 0.3374 0.055 Uiso 1 1 calc R . . H6B3 H 0.3770 0.1478 0.3494 0.055 Uiso 1 1 calc R . . N1N N 0.7940(6) 0.4155(6) 0.2152(3) 0.0437(18) Uani 1 1 d . . . O1N O 0.7955(6) 0.3157(5) 0.2119(2) 0.0528(17) Uani 1 1 d . . . O2N O 0.7433(5) 0.4617(6) 0.2512(3) 0.0600(18) Uani 1 1 d . . . O3N O 0.8473(6) 0.4685(5) 0.1798(3) 0.0595(17) Uani 1 1 d . . . N1M N 0.1086(8) 0.5967(8) 0.0013(4) 0.018(2) Uiso 0.50 1 d PD A 1 O1M O 0.0805(15) 0.5342(14) -0.0309(7) 0.118(6) Uiso 0.50 1 d PD A 1 O2M O 0.0554(11) 0.6781(10) 0.0036(5) 0.068(4) Uiso 0.50 1 d PD A 1 O3M O 0.1857(9) 0.5845(10) 0.0291(4) 0.051(3) Uiso 0.50 1 d PD A 1 N1M' N 0.0504(11) 0.8871(8) 0.0232(4) 0.030(3) Uiso 0.50 1 d PD B 2 O1M' O 0.0468(11) 0.9624(10) 0.0542(4) 0.050(3) Uiso 0.50 1 d PD B 2 O2M' O 0.0681(11) 0.8000(9) 0.0417(5) 0.053(3) Uiso 0.50 1 d PD B 2 O3M' O 0.0361(9) 0.9017(8) -0.0258(4) 0.038(3) Uiso 0.50 1 d PD B 2 O1W O 0.7677(4) 0.6838(4) 0.2069(2) 0.0387(14) Uani 1 1 d . . . O2W O 0.0788(11) 0.8983(11) 0.0529(5) 0.049(3) Uiso 0.50 1 d P C 1 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 Pt1 0.02006(13) 0.01911(13) 0.01557(12) 0.00067(12) 0.00234(8) 0.00104(14) Cl1 0.0306(10) 0.0310(10) 0.0241(8) 0.0075(7) 0.0070(7) 0.0010(8) P1A 0.0243(10) 0.0208(9) 0.0187(8) 0.0036(7) 0.0020(7) 0.0011(8) C11A 0.031(4) 0.014(3) 0.028(3) 0.003(3) -0.004(3) 0.003(3) C12A 0.030(4) 0.019(4) 0.023(3) 0.004(3) 0.003(3) 0.001(3) C13A 0.032(4) 0.025(4) 0.041(4) 0.009(3) 0.009(3) 0.002(4) C14A 0.042(5) 0.011(4) 0.055(5) 0.006(3) -0.014(4) -0.006(4) C15A 0.042(5) 0.023(4) 0.035(4) -0.007(3) -0.008(3) 0.001(4) C16A 0.044(5) 0.020(4) 0.025(4) -0.001(3) -0.004(3) 0.000(4) C21A 0.024(4) 0.031(4) 0.022(3) 0.002(3) 0.000(3) 0.000(4) C22A 0.041(5) 0.032(4) 0.025(4) 0.005(3) 0.001(3) -0.004(4) C23A 0.029(4) 0.058(6) 0.025(4) 0.011(4) -0.009(3) -0.008(4) C24A 0.030(4) 0.057(6) 0.022(4) -0.004(4) -0.004(3) -0.006(4) C25A 0.030(4) 0.045(5) 0.035(4) -0.012(4) -0.007(3) 0.007(4) C26A 0.024(4) 0.027(4) 0.021(3) 0.001(3) -0.002(3) 0.006(3) C2A 0.031(4) 0.028(4) 0.031(4) 0.008(3) 0.004(3) 0.007(4) C3A 0.026(4) 0.032(4) 0.032(4) 0.005(3) 0.002(3) 0.009(4) N4A 0.020(3) 0.026(3) 0.021(3) -0.002(2) 0.002(2) 0.003(3) C5A 0.031(4) 0.033(4) 0.024(3) -0.005(3) 0.001(3) 0.010(4) C6A 0.021(4) 0.035(5) 0.043(4) -0.003(4) 0.003(3) -0.005(4) P1B 0.0201(9) 0.0185(9) 0.0158(8) 0.0000(7) 0.0008(6) 0.0001(8) C11B 0.023(4) 0.015(3) 0.013(3) 0.001(3) 0.004(2) 0.000(3) C12B 0.025(4) 0.027(4) 0.025(3) 0.003(3) -0.001(3) -0.002(3) C13B 0.029(4) 0.027(4) 0.037(4) 0.002(3) 0.004(3) 0.008(4) C14B 0.037(5) 0.015(4) 0.031(4) 0.000(3) 0.009(3) -0.003(3) C15B 0.031(4) 0.025(4) 0.019(3) 0.001(3) 0.005(3) -0.013(4) C16B 0.021(4) 0.025(4) 0.016(3) -0.001(3) 0.002(3) -0.002(3) C21B 0.019(4) 0.018(4) 0.023(3) 0.003(3) 0.000(3) 0.000(3) C22B 0.026(4) 0.027(4) 0.025(3) -0.001(3) 0.000(3) 0.002(3) C23B 0.024(4) 0.028(4) 0.038(4) -0.002(3) -0.005(3) -0.003(4) C24B 0.033(4) 0.028(4) 0.033(4) 0.007(3) 0.015(3) -0.002(4) C25B 0.031(4) 0.031(4) 0.023(3) -0.001(3) 0.006(3) -0.003(4) C26B 0.024(4) 0.025(4) 0.025(3) -0.002(3) -0.002(3) -0.004(3) C2B 0.025(4) 0.027(4) 0.015(3) -0.002(3) -0.002(3) -0.002(3) C3B 0.032(4) 0.026(4) 0.021(3) -0.001(3) -0.010(3) 0.002(3) N4B 0.027(3) 0.028(3) 0.021(3) -0.002(2) 0.000(2) -0.004(3) C5B 0.047(5) 0.038(5) 0.034(4) -0.014(4) 0.000(4) 0.002(4) C6B 0.039(5) 0.048(5) 0.023(3) -0.006(4) 0.009(3) -0.002(4) N1N 0.030(4) 0.050(5) 0.050(4) -0.015(4) -0.014(3) -0.001(4) O1N 0.058(4) 0.045(4) 0.056(4) -0.002(3) 0.007(3) -0.006(3) O2N 0.043(4) 0.080(5) 0.058(4) -0.023(4) 0.005(3) 0.005(4) O3N 0.057(4) 0.049(4) 0.073(4) 0.001(3) 0.002(3) -0.006(4) O1W 0.029(3) 0.047(3) 0.040(3) 0.010(3) -0.003(2) -0.002(3) _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 Pt1 N4A 2.147(5) . ? Pt1 P1A 2.2311(17) . ? Pt1 P1B 2.2597(18) . ? Pt1 Cl1 2.3737(16) . ? P1A C21A 1.809(7) . ? P1A C11A 1.809(7) . ? P1A C2A 1.826(7) . ? C11A C12A 1.381(9) . ? C11A C16A 1.407(9) . ? C12A C13A 1.387(10) . ? C13A C14A 1.384(10) . ? C14A C15A 1.374(11) . ? C15A C16A 1.368(10) . ? C21A C26A 1.383(10) . ? C21A C22A 1.391(9) . ? C22A C23A 1.398(10) . ? C23A C24A 1.379(11) . ? C24A C25A 1.380(11) . ? C25A C26A 1.397(9) . ? C2A C3A 1.514(10) . ? C3A N4A 1.498(8) . ? N4A C6A 1.494(9) . ? N4A C5A 1.496(8) . ? P1B C21B 1.819(7) . ? P1B C11B 1.827(7) . ? P1B C2B 1.828(6) . ? C11B C12B 1.381(9) . ? C11B C16B 1.398(9) . ? C12B C13B 1.395(10) . ? C13B C14B 1.386(10) . ? C14B C15B 1.372(10) . ? C15B C16B 1.395(9) . ? C21B C22B 1.377(9) . ? C21B C26B 1.408(9) . ? C22B C23B 1.385(10) . ? C23B C24B 1.382(10) . ? C24B C25B 1.383(10) . ? C25B C26B 1.388(9) . ? C2B C3B 1.521(9) . ? C3B N4B 1.505(8) . ? N4B C6B 1.495(9) . ? N4B C5B 1.499(9) . ? N1N O2N 1.223(9) . ? N1N O1N 1.241(9) . ? N1N O3N 1.272(9) . ? N1M O3M 1.139(11) . ? N1M O1M 1.145(12) . ? N1M O2M 1.198(11) . ? N1M' O2M' 1.188(11) . ? N1M' O1M' 1.201(11) . ? N1M' O3M' 1.209(10) . ? 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 N4A Pt1 P1A 84.54(15) . . ? N4A Pt1 P1B 175.43(14) . . ? P1A Pt1 P1B 99.63(6) . . ? N4A Pt1 Cl1 90.06(15) . . ? P1A Pt1 Cl1 172.90(6) . . ? P1B Pt1 Cl1 85.63(6) . . ? C21A P1A C11A 108.5(3) . . ? C21A P1A C2A 105.6(3) . . ? C11A P1A C2A 106.5(3) . . ? C21A P1A Pt1 116.7(2) . . ? C11A P1A Pt1 116.6(2) . . ? C2A P1A Pt1 101.5(2) . . ? C12A C11A C16A 119.2(7) . . ? C12A C11A P1A 123.9(5) . . ? C16A C11A P1A 116.8(5) . . ? C11A C12A C13A 119.8(6) . . ? C14A C13A C12A 120.6(7) . . ? C15A C14A C13A 119.5(7) . . ? C16A C15A C14A 120.8(7) . . ? C15A C16A C11A 120.1(7) . . ? C26A C21A C22A 120.7(6) . . ? C26A C21A P1A 120.6(5) . . ? C22A C21A P1A 118.7(6) . . ? C21A C22A C23A 118.6(7) . . ? C24A C23A C22A 120.4(7) . . ? C23A C24A C25A 121.0(7) . . ? C24A C25A C26A 118.9(8) . . ? C21A C26A C25A 120.2(7) . . ? C3A C2A P1A 105.8(5) . . ? N4A C3A C2A 110.5(6) . . ? C6A N4A C5A 107.8(5) . . ? C6A N4A C3A 106.6(5) . . ? C5A N4A C3A 109.9(5) . . ? C6A N4A Pt1 112.3(4) . . ? C5A N4A Pt1 107.6(4) . . ? C3A N4A Pt1 112.6(4) . . ? C21B P1B C11B 102.6(3) . . ? C21B P1B C2B 105.1(3) . . ? C11B P1B C2B 105.4(3) . . ? C21B P1B Pt1 122.0(2) . . ? C11B P1B Pt1 111.6(2) . . ? C2B P1B Pt1 108.8(2) . . ? C12B C11B C16B 120.9(6) . . ? C12B C11B P1B 119.8(5) . . ? C16B C11B P1B 119.2(5) . . ? C11B C12B C13B 119.4(7) . . ? C14B C13B C12B 119.9(7) . . ? C15B C14B C13B 120.5(7) . . ? C14B C15B C16B 120.5(7) . . ? C15B C16B C11B 118.7(7) . . ? C22B C21B C26B 119.5(6) . . ? C22B C21B P1B 123.3(5) . . ? C26B C21B P1B 117.2(5) . . ? C21B C22B C23B 120.6(6) . . ? C24B C23B C22B 119.9(7) . . ? C23B C24B C25B 120.4(6) . . ? C24B C25B C26B 119.8(6) . . ? C25B C26B C21B 119.7(6) . . ? C3B C2B P1B 110.0(5) . . ? N4B C3B C2B 113.8(5) . . ? C6B N4B C5B 111.4(6) . . ? C6B N4B C3B 112.7(5) . . ? C5B N4B C3B 107.9(5) . . ? O2N N1N O1N 121.5(9) . . ? O2N N1N O3N 120.8(8) . . ? O1N N1N O3N 117.7(8) . . ? O3M N1M O1M 122.1(14) . . ? O3M N1M O2M 120.7(12) . . ? O1M N1M O2M 117.1(13) . . ? O2M' N1M' O1M' 118.7(11) . . ? O2M' N1M' O3M' 121.8(11) . . ? O1M' N1M' O3M' 119.4(11) . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.04 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.242 _refine_diff_density_min -0.560 _refine_diff_density_rms 0.142