# Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry, 1999 # CCDC Number: 186/1558 data_1 _audit_creation_method SHELXL _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural '[{cis-Pt(NH3)2(9EtG)}2(mu-pz)](NO3)3 4H2O ' _chemical_formula_analytical ? _chemical_formula_sum 'C17 H33 N19 O15 Pt2' _chemical_formula_weight 1133.80 _chemical_melting_point ? _chemical_compound_source ? 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' 'O' 'O' 0.0106 0.0060 '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' _symmetry_cell_setting P-1 _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 14.404(4) _cell_length_b 15.060(5) _cell_length_c 8.629(3) _cell_angle_alpha 105.45(3) _cell_angle_beta 105.00(2) _cell_angle_gamma 74.02(3) _cell_volume 1699.4(9) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.216 _exptl_crystal_density_method ? _exptl_crystal_F_000 1088 _exptl_absorpt_coefficient_mu 8.318 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK'a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device ? _diffrn_measurement_method ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 7787 _diffrn_reflns_av_R_equivalents 0.0497 _diffrn_reflns_av_sigmaI/netI 0.0139 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 1.83 _diffrn_reflns_theta_max 28.00 _reflns_number_total 7338 _reflns_number_observed 6014 _reflns_observed_criterion >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-86 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement on F^2^ for ALL reflections except for 769 with very negative F^2^ or flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses 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 observed criterion of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/['s^2^(Fo^2^)+(0.1753P)^2^+0.0000P] 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 ? _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0219(29) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^'l^3^/sin(2'q)]^-1/4^' _refine_ls_number_reflns 6569 _refine_ls_number_parameters 485 _refine_ls_number_restraints 79 _refine_ls_R_factor_all 0.1177 _refine_ls_R_factor_obs 0.0949 _refine_ls_wR_factor_all 0.5629 _refine_ls_wR_factor_obs 0.3078 _refine_ls_goodness_of_fit_all 1.742 _refine_ls_goodness_of_fit_obs 1.808 _refine_ls_restrained_S_all 2.957 _refine_ls_restrained_S_obs 1.798 _refine_ls_shift/esd_max 3.373 _refine_ls_shift/esd_mean 0.180 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_thermal_displace_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_group Pt1 Pt 0.31092(4) 0.11395(3) 0.10956(7) 0.0355(3) Uani 1 d . . Pt2 Pt 0.20028(5) 0.09582(4) -0.33215(8) 0.0438(3) Uani 1 d D . N1 N 0.1701(10) 0.1687(9) 0.0153(19) 0.043(3) Uani 1 d . . N2 N 0.1278(10) 0.1526(12) -0.1480(23) 0.056(4) Uani 1 d . . C3 C 0.0314(13) 0.1870(12) -0.1637(26) 0.053(4) Uani 1 d D . H3 H -0.0143(13) 0.1865(12) -0.2622(26) 0.064 Uiso 1 calc R . C4 C 0.0104(15) 0.2236(22) -0.0098(25) 0.084(8) Uani 1 d D . H4 H -0.0517(15) 0.2508(22) 0.0152(25) 0.101 Uiso 1 calc R . C5 C 0.0962(17) 0.2126(16) 0.0973(23) 0.066(6) Uani 1 d D . H5 H 0.1038(17) 0.2322(16) 0.2107(23) 0.080 Uiso 1 calc R . N3 N 0.2777(12) -0.0171(12) 0.0290(23) 0.051(4) Uani 1 d D . H3A H 0.3199(79) -0.0567(33) 0.0886(135) 0.077 Uiso 1 calc R . H3B H 0.2821(122) -0.0386(53) -0.0760(60) 0.077 Uiso 1 calc R . H3C H 0.2166(47) -0.0127(25) 0.0395(198) 0.077 Uiso 1 calc R . N4 N 0.1335(12) -0.0193(14) -0.3934(25) 0.055(4) Uani 1 d D . H4A H 0.1753(49) -0.0716(25) -0.4312(204) 0.083 Uiso 1 calc R . H4B H 0.0794(72) -0.0096(58) -0.4704(157) 0.083 Uiso 1 calc R . H4C H 0.1175(117) -0.0258(77) -0.3046(54) 0.083 Uiso 1 calc R . N5 N 0.4484(9) 0.0581(8) 0.2098(18) 0.043(3) Uani 1 d . . H5A H 0.4635(38) 0.0899(66) 0.3124(63) 0.064 Uiso 1 calc R . H5B H 0.4897(14) 0.0615(95) 0.1518(107) 0.064 Uiso 1 calc R . H5C H 0.4534(29) -0.0021(30) 0.2101(165) 0.064 Uiso 1 calc R . N6 N 0.2619(20) 0.0317(14) -0.5308(28) 0.087(7) Uani 1 d D . H6A H 0.3192(95) -0.0069(148) -0.5009(64) 0.131 Uiso 1 calc R . H6B H 0.2717(191) 0.0751(18) -0.5736(205) 0.131 Uiso 1 calc R . H6C H 0.2217(90) -0.0015(157) -0.6052(139) 0.131 Uiso 1 calc R . N1A N 0.5454(12) 0.2785(9) 0.0313(22) 0.051(4) Uani 1 d D . H1A H 0.5919(12) 0.2530(9) -0.0228(22) 0.062 Uiso 1 calc R . C2A C 0.5345(12) 0.3706(9) 0.1001(21) 0.045(4) Uani 1 d D . N2A N 0.5950(13) 0.4141(9) 0.0721(25) 0.065(5) Uani 1 d D . H2A1 H 0.6379(13) 0.3832(9) 0.0128(25) 0.078 Uiso 1 calc R . H2A2 H 0.5913(13) 0.4734(9) 0.1133(25) 0.078 Uiso 1 calc R . N3A N 0.4672(10) 0.4196(10) 0.1962(18) 0.047(3) Uani 1 d D . C4A C 0.4121(12) 0.3679(9) 0.2066(23) 0.047(4) Uani 1 d D . C5A C 0.4123(11) 0.2722(10) 0.1372(18) 0.044(3) Uani 1 d D . C6A C 0.4861(11) 0.2200(9) 0.0409(18) 0.038(3) Uani 1 d D . O6A O 0.5050(10) 0.1375(7) -0.0224(14) 0.045(3) Uani 1 d D . N7A N 0.3426(9) 0.2459(10) 0.1824(17) 0.040(3) Uani 1 d D . C8A C 0.3001(13) 0.3206(13) 0.2775(22) 0.053(4) Uani 1 d D . H8A H 0.2496(13) 0.3220(13) 0.3276(22) 0.064 Uiso 1 calc R . N9A N 0.3387(11) 0.3954(9) 0.2940(17) 0.049(3) Uani 1 d D . C9A C 0.3101(19) 0.4904(12) 0.4018(27) 0.069(6) Uani 1 d D . H9A1 H 0.3672(19) 0.5184(12) 0.4415(27) 0.083 Uiso 1 calc R . H9A2 H 0.2917(19) 0.4817(12) 0.4963(27) 0.083 Uiso 1 calc R . C9C C 0.2272(45) 0.5579(25) 0.3205(68) 0.386(71) Uani 1 d D . H9C5 H 0.2272(650) 0.6211(101) 0.3824(977) 0.579 Uiso 1 calc R . H9C4 H 0.1658(48) 0.5428(675) 0.3154(1579) 0.579 Uiso 1 calc R . H9C3 H 0.2352(592) 0.5532(723) 0.2113(582) 0.579 Uiso 1 calc R . N1B N 0.4727(10) 0.2412(8) -0.3960(20) 0.045(3) Uani 1 d D . H1B H 0.5210(10) 0.2149(8) -0.4460(20) 0.054 Uiso 1 calc R . C2B C 0.4602(11) 0.3341(11) -0.3325(23) 0.047(4) Uani 1 d D . N2B N 0.5294(12) 0.3744(12) -0.3494(28) 0.066(5) Uani 1 d D . H2B1 H 0.5765(12) 0.3405(12) -0.3980(28) 0.079 Uiso 1 calc R . H2B2 H 0.5261(12) 0.4338(12) -0.3116(28) 0.079 Uiso 1 calc R . N3B N 0.3855(9) 0.3874(9) -0.2584(18) 0.041(3) Uani 1 d D . C4B C 0.3258(11) 0.3352(10) -0.2602(18) 0.042(3) Uani 1 d D . C5B C 0.3323(10) 0.2372(10) -0.3073(19) 0.039(3) Uani 1 d D . C6B C 0.4127(10) 0.1825(10) -0.3877(20) 0.045(4) Uani 1 d D . O6B O 0.4352(9) 0.0963(7) -0.4359(15) 0.043(2) Uani 1 d D . N7B N 0.2559(9) 0.2143(9) -0.2748(18) 0.039(3) Uani 1 d D . C8B C 0.2019(14) 0.2969(11) -0.2096(25) 0.050(4) Uani 1 d D . H8B H 0.1419(14) 0.3031(11) -0.1819(25) 0.060 Uiso 1 calc R . N9B N 0.2430(10) 0.3685(9) -0.1886(21) 0.049(3) Uani 1 d D . C9B C 0.1980(16) 0.4716(10) -0.1402(29) 0.063(6) Uani 1 d D . H9B1 H 0.1956(16) 0.5025(10) -0.2271(29) 0.076 Uiso 1 calc R . H9B2 H 0.2401(16) 0.4991(10) -0.0422(29) 0.076 Uiso 1 calc R . C9D C 0.0957(23) 0.4912(14) -0.1077(48) 0.099(10) Uani 1 d D . H9D1 H 0.0737(93) 0.5577(31) -0.0670(364) 0.149 Uiso 1 calc R . H9D2 H 0.0965(47) 0.4571(172) -0.0276(274) 0.149 Uiso 1 calc R . H9D3 H 0.0516(49) 0.4712(197) -0.2077(87) 0.149 Uiso 1 calc R . N7 N 0.3325(12) -0.2059(12) -0.3670(23) 0.072(6) Uani 1 d D . O1 O 0.2795(16) -0.1696(14) -0.2677(25) 0.092(6) Uani 1 d D . O2 O 0.3806(12) -0.1619(13) -0.3972(21) 0.079(6) Uani 1 d D . O3 O 0.3507(19) -0.2912(13) -0.4166(28) 0.101(7) Uani 1 d D . N8 N 0.7430(10) 0.2118(11) 0.8070(22) 0.060(5) Uani 1 d D . O4 O 0.6749(10) 0.1792(10) 0.8088(19) 0.059(4) Uani 1 d D . O5 O 0.7981(11) 0.1758(13) 0.7095(24) 0.080(5) Uani 1 d D . O6 O 0.7528(12) 0.2887(12) 0.8946(26) 0.080(5) Uani 1 d D . N9 N 0.0625(27) 0.3954(28) -0.5313(31) 0.302(44) Uani 1 d D . O7 O 0.0903(42) 0.4656(35) -0.5262(85) 0.344(35) Uani 1 d D . O8 O -0.0204(36) 0.4035(36) -0.5119(120) 0.815(190) Uani 1 d D . O9 O 0.1135(35) 0.3171(35) -0.5545(52) 0.503(70) Uani 1 d D . O10 O 0.0435(17) 0.0396(15) -0.7103(24) 0.090(6) Uani 1 d D . O11 O -0.0437(31) 0.2284(21) -0.5812(44) 0.179(15) Uani 1 d D . O12 O -0.1738(51) 0.3248(57) -0.7349(51) 0.495(87) Uani 1 d D . O13 O 0.0734(20) -0.0233(29) -0.0223(70) 0.361(41) Uani 1 d 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 Pt1 0.0478(4) 0.0223(4) 0.0351(4) -0.0071(2) 0.0155(2) -0.0116(2) Pt2 0.0500(5) 0.0348(4) 0.0443(4) -0.0005(3) 0.0089(3) -0.0150(3) N1 0.044(6) 0.027(6) 0.055(8) -0.002(6) 0.012(6) -0.012(5) N2 0.039(7) 0.061(9) 0.079(11) 0.038(9) 0.021(7) 0.001(6) C3 0.041(8) 0.038(8) 0.075(13) 0.009(8) 0.027(8) 0.009(6) C4 0.048(10) 0.111(20) 0.086(17) -0.030(15) 0.032(11) -0.039(12) C5 0.102(15) 0.067(12) 0.041(9) -0.034(9) 0.041(10) -0.053(11) N3 0.050(8) 0.047(9) 0.056(9) -0.012(7) 0.018(7) -0.025(7) N4 0.052(8) 0.061(10) 0.064(10) 0.034(9) 0.012(7) -0.010(7) N5 0.046(7) 0.022(5) 0.052(8) -0.013(5) 0.017(6) -0.010(5) N6 0.147(20) 0.048(10) 0.081(14) -0.017(9) 0.089(15) -0.014(11) N1A 0.059(8) 0.030(7) 0.062(10) -0.003(6) 0.022(7) -0.009(6) C2A 0.066(10) 0.020(6) 0.049(9) -0.004(6) 0.025(8) -0.009(6) N2A 0.091(11) 0.016(5) 0.105(14) -0.008(7) 0.067(11) -0.015(6) N3A 0.054(8) 0.044(8) 0.042(7) -0.010(6) 0.027(6) -0.010(6) C4A 0.052(8) 0.017(6) 0.067(11) 0.005(7) 0.013(8) -0.002(5) C5A 0.060(9) 0.037(8) 0.029(7) -0.006(6) 0.011(6) -0.013(6) C6A 0.055(8) 0.026(6) 0.034(7) 0.000(5) 0.016(6) -0.006(6) O6A 0.077(8) 0.017(4) 0.040(6) -0.014(4) 0.025(5) -0.014(5) N7A 0.030(5) 0.043(7) 0.041(7) -0.003(6) 0.008(5) -0.012(5) C8A 0.050(9) 0.060(11) 0.047(9) -0.009(8) 0.010(7) -0.027(8) N9A 0.066(9) 0.033(7) 0.041(7) -0.020(5) 0.018(6) -0.018(6) C9A 0.111(17) 0.031(8) 0.068(13) -0.027(8) 0.050(12) -0.027(9) C9C 0.278(68) 0.121(36) 0.380(84) -0.199(50) -0.179(64) 0.093(40) N1B 0.045(7) 0.019(5) 0.063(9) -0.004(6) 0.018(6) -0.002(5) C2B 0.044(8) 0.038(8) 0.049(9) 0.005(7) 0.006(7) -0.003(6) N2B 0.054(9) 0.049(9) 0.098(15) -0.011(9) 0.043(9) -0.017(7) N3B 0.044(6) 0.025(6) 0.047(7) -0.012(5) 0.013(5) -0.011(5) C4B 0.049(8) 0.047(8) 0.029(7) 0.010(6) 0.004(6) -0.011(6) C5B 0.041(7) 0.038(7) 0.040(8) 0.003(6) 0.016(6) -0.008(6) C6B 0.041(7) 0.034(7) 0.040(8) -0.018(6) 0.010(6) 0.001(6) O6B 0.063(7) 0.024(5) 0.046(6) -0.005(4) 0.017(5) -0.024(5) N7B 0.047(7) 0.023(5) 0.040(7) -0.005(5) 0.014(5) -0.002(5) C8B 0.076(11) 0.027(7) 0.058(10) -0.005(7) 0.044(9) -0.012(7) N9B 0.052(7) 0.029(6) 0.068(10) -0.006(6) 0.032(7) -0.009(5) C9B 0.090(14) 0.016(6) 0.077(13) -0.006(7) 0.049(12) 0.012(7) C9D 0.129(24) 0.020(8) 0.159(29) -0.005(12) 0.083(22) -0.006(11) N7 0.044(8) 0.086(15) 0.061(11) -0.002(10) 0.012(8) 0.009(9) O1 0.126(15) 0.068(11) 0.080(11) -0.025(9) 0.056(11) -0.027(10) O2 0.054(8) 0.085(12) 0.074(11) -0.038(9) 0.018(8) -0.025(8) O3 0.141(19) 0.060(11) 0.092(14) -0.040(10) 0.062(14) -0.024(11) N8 0.039(7) 0.054(9) 0.071(11) -0.018(8) 0.010(7) -0.014(6) O4 0.061(8) 0.055(8) 0.075(9) 0.021(7) 0.041(7) -0.002(6) O5 0.052(8) 0.077(11) 0.101(13) -0.009(10) 0.038(8) -0.004(7) O6 0.058(8) 0.073(11) 0.111(15) 0.003(10) 0.020(9) -0.032(8) N9 0.406(74) 0.532(88) 0.091(24) -0.144(39) 0.134(38) -0.425(76) O7 0.172(57) 0.488(97) 0.378(81) 0.119(73) -0.007(52) -0.115(64) O8 0.574(175) 0.118(41) 1.225(389) -0.257(101) -0.289(203) -0.047(66) O9 0.213(54) 1.152(199) 0.096(25) 0.190(61) 0.017(29) -0.030(90) O10 0.118(15) 0.074(12) 0.061(10) 0.009(9) -0.007(10) -0.023(11) O11 0.273(40) 0.089(18) 0.154(26) 0.012(17) 0.111(28) 0.043(21) O12 0.497(99) 0.602(135) 0.144(34) 0.136(56) 0.185(52) 0.435(106) O13 0.147(24) 0.219(42) 0.700(105) 0.266(59) -0.211(43) -0.128(28) _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 N5 1.990(13) . ? Pt1 N1 2.010(13) . ? Pt1 N3 2.06(2) . ? Pt1 N7A 2.059(14) . ? Pt2 N2 2.00(2) . ? Pt2 N6 2.022(15) . ? Pt2 N7B 2.045(13) . ? Pt2 N4 2.09(2) . ? N1 C5 1.35(2) . ? N1 N2 1.37(2) . ? N2 C3 1.33(2) . ? C5 C4 1.34(3) . ? C4 C3 1.37(2) . ? N1A C2A 1.34(2) . ? N1A C6A 1.42(2) . ? C2A N2A 1.32(2) . ? C2A N3A 1.37(2) . ? N3A C4A 1.29(2) . ? C4A N9A 1.37(2) . ? C4A C5A 1.40(2) . ? C5A N7A 1.35(2) . ? C5A C6A 1.45(2) . ? C6A O6A 1.20(2) . ? N7A C8A 1.30(2) . ? C8A N9A 1.35(2) . ? N9A C9A 1.50(2) . ? C9A C9C 1.49(4) . ? N1B C2B 1.34(2) . ? N1B C6B 1.42(2) . ? C2B N3B 1.35(2) . ? C2B N2B 1.36(2) . ? N3B C4B 1.31(2) . ? C4B N9B 1.39(2) . ? C4B C5B 1.41(2) . ? C5B N7B 1.35(2) . ? C5B C6B 1.45(2) . ? C6B O6B 1.23(2) . ? N7B C8B 1.34(2) . ? C8B N9B 1.32(2) . ? N9B C9B 1.50(2) . ? C9B C9D 1.51(3) . ? N7 O2 1.19(2) . ? N7 O1 1.21(2) . ? N7 O3 1.22(2) . ? N8 O4 1.22(2) . ? N8 O6 1.22(2) . ? N8 O5 1.22(2) . ? N9 O9 1.20(2) . ? N9 O7 1.22(2) . ? N9 O8 1.22(2) . ? 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 N5 Pt1 N1 177.6(6) . . ? N5 Pt1 N3 91.3(6) . . ? N1 Pt1 N3 87.8(6) . . ? N5 Pt1 N7A 89.9(5) . . ? N1 Pt1 N7A 91.2(5) . . ? N3 Pt1 N7A 178.1(6) . . ? N2 Pt2 N6 174.0(9) . . ? N2 Pt2 N7B 88.8(6) . . ? N6 Pt2 N7B 96.3(7) . . ? N2 Pt2 N4 89.2(7) . . ? N6 Pt2 N4 85.6(8) . . ? N7B Pt2 N4 176.0(6) . . ? C5 N1 N2 106.7(14) . . ? C5 N1 Pt1 127.5(14) . . ? N2 N1 Pt1 124.8(10) . . ? C3 N2 N1 108.5(16) . . ? C3 N2 Pt2 125.7(15) . . ? N1 N2 Pt2 125.6(10) . . ? C4 C5 N1 109.4(15) . . ? C5 C4 C3 107.0(18) . . ? N2 C3 C4 108.4(18) . . ? C2A N1A C6A 125.0(13) . . ? N2A C2A N1A 116.0(13) . . ? N2A C2A N3A 119.9(13) . . ? N1A C2A N3A 124.1(14) . . ? C4A N3A C2A 112.1(13) . . ? N3A C4A N9A 126.5(13) . . ? N3A C4A C5A 130.2(14) . . ? N9A C4A C5A 103.2(12) . . ? N7A C5A C4A 110.5(12) . . ? N7A C5A C6A 132.1(13) . . ? C4A C5A C6A 117.4(13) . . ? O6A C6A N1A 118.7(13) . . ? O6A C6A C5A 130.0(14) . . ? N1A C6A C5A 111.2(12) . . ? C8A N7A C5A 106.2(13) . . ? C8A N7A Pt1 128.1(11) . . ? C5A N7A Pt1 125.7(10) . . ? N7A C8A N9A 111.3(14) . . ? C8A N9A C4A 108.8(12) . . ? C8A N9A C9A 124.8(14) . . ? C4A N9A C9A 126.3(14) . . ? N9A C9A C9C 114.8(19) . . ? C2B N1B C6B 125.4(12) . . ? N1B C2B N3B 125.1(14) . . ? N1B C2B N2B 114.8(14) . . ? N3B C2B N2B 120.1(14) . . ? C4B N3B C2B 110.0(12) . . ? N3B C4B N9B 124.1(13) . . ? N3B C4B C5B 132.1(13) . . ? N9B C4B C5B 103.3(12) . . ? N7B C5B C4B 111.0(11) . . ? N7B C5B C6B 132.8(13) . . ? C4B C5B C6B 116.0(12) . . ? O6B C6B N1B 120.8(12) . . ? O6B C6B C5B 128.2(15) . . ? N1B C6B C5B 110.9(11) . . ? C8B N7B C5B 104.6(12) . . ? C8B N7B Pt2 118.8(11) . . ? C5B N7B Pt2 135.8(9) . . ? N9B C8B N7B 112.8(13) . . ? C8B N9B C4B 107.9(12) . . ? C8B N9B C9B 127.4(14) . . ? C4B N9B C9B 122.8(13) . . ? N9B C9B C9D 113.6(16) . . ? O2 N7 O1 120.8(19) . . ? O2 N7 O3 117.6(18) . . ? O1 N7 O3 120.4(20) . . ? O4 N8 O6 119.9(15) . . ? O4 N8 O5 123.0(16) . . ? O6 N8 O5 116.8(17) . . ? O9 N9 O7 122.9(30) . . ? O9 N9 O8 117.7(29) . . ? O7 N9 O8 119.4(30) . . ? _refine_diff_density_max 5.474 _refine_diff_density_min -3.045 _refine_diff_density_rms 0.456