#------------------------------------------------------------------------------ #$Date: 2016-02-20 16:35:30 +0000 (Sat, 20 Feb 2016) $ #$Revision: 176787 $ #$URL: svn://www.crystallography.net/cod/cif/2/21/42/2214291.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2214291 loop_ _publ_author_name 'Zhang, Yong' 'Xia, Xian-You' 'Liu, Xu-Qing' 'Chen, Xue-Mei' 'Liu, Ting' _publ_section_title '[Bis(1H-benzimidazol-2-ylmethyl)amine-\k^3^N,N',N'']dinitratolead(II)' _journal_coeditor_code LH2392 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first m1792 _journal_page_last m1792 _journal_paper_doi 10.1107/S1600536807025615 _journal_volume 63 _journal_year 2007 _chemical_formula_iupac '[Pb (N O3)2 (C16 H15 N5)]' _chemical_formula_moiety 'C16 H15 N7 O6 Pb' _chemical_formula_sum 'C16 H15 N7 O6 Pb' _chemical_formula_weight 608.54 _chemical_name_systematic ; [Bis(1H-benzimidazol-2-ylmethyl)amine-\k^3^N,N',N'']dinitratolead(II) ; _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL97 _cell_angle_alpha 98.2960(10) _cell_angle_beta 102.8420(10) _cell_angle_gamma 104.6420(10) _cell_formula_units_Z 2 _cell_length_a 8.9865(4) _cell_length_b 10.4501(5) _cell_length_c 11.3544(5) _cell_measurement_reflns_used 6445 _cell_measurement_temperature 292(2) _cell_measurement_theta_max 28.05 _cell_measurement_theta_min 2.43 _cell_volume 982.88(8) _computing_cell_refinement 'SAINT (Bruker, 2001)' _computing_data_collection 'SMART (Bruker, 2001)' _computing_data_reduction SAINT _computing_molecular_graphics 'PLATON (Spek, 2003)' _computing_publication_material PLATON _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1997)' _diffrn_ambient_temperature 298(2) _diffrn_measured_fraction_theta_full 0.985 _diffrn_measured_fraction_theta_max 0.985 _diffrn_measurement_device_type 'Bruker SMART APEX CCD area-detector' _diffrn_measurement_method '0.3\% wide \w exposures' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine focus sealed Siemens Mo tube' _diffrn_radiation_type 'Mo k\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0373 _diffrn_reflns_av_sigmaI/netI 0.0509 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_k_max 13 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 9540 _diffrn_reflns_theta_full 26.50 _diffrn_reflns_theta_max 26.50 _diffrn_reflns_theta_min 1.88 _exptl_absorpt_coefficient_mu 8.633 _exptl_absorpt_correction_T_max 0.4789 _exptl_absorpt_correction_T_min 0.2771 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(SADABS; Sheldrick, 2001)' _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 2.056 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 580 _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.16 _exptl_crystal_size_min 0.10 _refine_diff_density_max 2.790 _refine_diff_density_min -2.365 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.122 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 271 _refine_ls_number_reflns 4007 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.122 _refine_ls_R_factor_all 0.0483 _refine_ls_R_factor_gt 0.0448 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.0719P)^2^+3.4147P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1195 _refine_ls_wR_factor_ref 0.1263 _reflns_number_gt 3723 _reflns_number_total 4007 _reflns_threshold_expression I>2s(I) _cod_data_source_file lh2392.cif _cod_data_source_block I _cod_database_code 2214291 _cod_database_fobs_code 2214291 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy Pb Pb1 0.35209(3) 0.12463(3) 0.37567(3) 0.03271(13) Uani d . 1 C C1 0.1658(10) 0.3633(8) 0.4442(8) 0.0355(17) Uani d . 1 H H1A 0.2099 0.3855 0.5333 0.043 Uiso calc R 1 H H1B 0.0748 0.3979 0.4250 0.043 Uiso calc R 1 C C2 0.2885(9) 0.4286(8) 0.3853(8) 0.0337(17) Uani d . 1 C C3 0.4516(11) 0.5856(8) 0.3237(8) 0.0355(17) Uani d . 1 C C4 0.5364(13) 0.7010(10) 0.2973(9) 0.050(2) Uani d . 1 H H4 0.5150 0.7831 0.3157 0.060 Uiso calc R 1 C C5 0.6561(16) 0.6891(13) 0.2415(12) 0.066(3) Uani d . 1 H H5 0.7179 0.7655 0.2230 0.080 Uiso calc R 1 C C6 0.6864(15) 0.5644(11) 0.2121(11) 0.060(3) Uani d . 1 H H6 0.7663 0.5600 0.1732 0.073 Uiso calc R 1 C C7 0.6012(12) 0.4492(9) 0.2394(10) 0.049(2) Uani d . 1 H H7 0.6233 0.3675 0.2211 0.059 Uiso calc R 1 C C8 0.4802(10) 0.4589(9) 0.2954(8) 0.0339(17) Uani d . 1 C C9 -0.0145(8) 0.1762(8) 0.2844(7) 0.0308(15) Uani d . 1 H H9A -0.0012 0.2472 0.2380 0.037 Uiso calc R 1 H H9B -0.1171 0.1628 0.3027 0.037 Uiso calc R 1 C C10 -0.0116(8) 0.0482(9) 0.2085(7) 0.0306(16) Uani d . 1 C C11 -0.0887(9) -0.1419(8) 0.0670(7) 0.0312(16) Uani d . 1 C C12 -0.1692(11) -0.2562(9) -0.0261(8) 0.0408(19) Uani d . 1 H H12 -0.2747 -0.2713 -0.0701 0.049 Uiso calc R 1 C C13 -0.0867(13) -0.3455(10) -0.0501(9) 0.049(2) Uani d . 1 H H13 -0.1389 -0.4270 -0.1067 0.058 Uiso calc R 1 C C14 0.0767(12) -0.3150(10) 0.0100(9) 0.047(2) Uani d . 1 H H14 0.1325 -0.3736 -0.0135 0.057 Uiso calc R 1 C C15 0.1570(11) -0.2016(10) 0.1023(8) 0.043(2) Uani d . 1 H H15 0.2636 -0.1855 0.1441 0.052 Uiso calc R 1 C C16 0.0727(9) -0.1120(8) 0.1309(7) 0.0292(15) Uani d . 1 N N1 0.1139(7) 0.2177(7) 0.4010(6) 0.0323(14) Uani d . 1 H H1 0.0735 0.1803 0.4591 0.039 Uiso calc R 1 N N2 0.3766(8) 0.3627(7) 0.3384(7) 0.0330(14) Uani d . 1 N N3 0.3254(8) 0.5588(6) 0.3798(6) 0.0330(14) Uani d . 1 H H3 0.2802 0.6164 0.4058 0.040 Uiso calc R 1 N N4 0.1155(7) 0.0067(6) 0.2194(6) 0.0278(13) Uani d . 1 N N5 -0.1368(7) -0.0350(7) 0.1195(6) 0.0321(14) Uani d . 1 H H5A -0.2303 -0.0245 0.0983 0.039 Uiso calc R 1 N N6 0.5429(8) 0.0792(7) 0.1767(7) 0.0391(16) Uani d . 1 N N7 0.2026(10) -0.1607(8) 0.4578(8) 0.0439(18) Uani d . 1 O O1 0.4232(8) 0.1232(8) 0.1732(7) 0.0541(17) Uani d . 1 O O2 0.5790(10) 0.0167(9) 0.2572(9) 0.068(2) Uani d . 1 O O3 0.6224(8) 0.1029(8) 0.1037(7) 0.0583(19) Uani d . 1 O O4 0.1378(9) -0.0720(7) 0.4771(7) 0.0521(17) Uani d . 1 O O5 0.3208(8) -0.1363(8) 0.4138(7) 0.0523(17) Uani d . 1 O O6 0.1556(12) -0.2715(8) 0.4820(10) 0.081(3) Uani d . 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_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb1 0.02497(17) 0.0335(2) 0.0372(2) 0.01051(12) 0.00101(12) 0.00779(13) C1 0.037(4) 0.024(4) 0.045(5) 0.009(3) 0.015(4) 0.001(3) C2 0.030(3) 0.031(4) 0.038(4) 0.010(3) 0.006(3) 0.004(3) C3 0.047(4) 0.032(4) 0.030(4) 0.013(3) 0.012(3) 0.008(3) C4 0.068(6) 0.045(5) 0.045(5) 0.019(5) 0.021(5) 0.022(4) C5 0.086(8) 0.063(7) 0.065(7) 0.017(6) 0.049(7) 0.029(6) C6 0.078(7) 0.049(6) 0.067(7) 0.017(5) 0.045(6) 0.017(5) C7 0.056(5) 0.033(5) 0.069(7) 0.010(4) 0.039(5) 0.013(4) C8 0.035(4) 0.035(4) 0.032(4) 0.009(3) 0.012(3) 0.006(3) C9 0.026(3) 0.030(4) 0.034(4) 0.009(3) 0.002(3) 0.005(3) C10 0.024(3) 0.046(5) 0.024(4) 0.013(3) 0.004(3) 0.012(3) C11 0.033(4) 0.040(4) 0.025(4) 0.013(3) 0.009(3) 0.016(3) C12 0.046(5) 0.040(5) 0.031(4) 0.010(4) 0.003(4) 0.011(4) C13 0.065(6) 0.041(5) 0.034(5) 0.007(4) 0.012(4) 0.009(4) C14 0.057(5) 0.046(5) 0.046(5) 0.024(4) 0.013(4) 0.016(4) C15 0.047(5) 0.055(6) 0.035(5) 0.031(4) 0.011(4) 0.009(4) C16 0.029(3) 0.033(4) 0.026(4) 0.007(3) 0.009(3) 0.009(3) N1 0.027(3) 0.037(4) 0.035(4) 0.011(3) 0.010(3) 0.012(3) N2 0.033(3) 0.032(4) 0.035(4) 0.009(3) 0.012(3) 0.005(3) N3 0.039(3) 0.023(3) 0.040(4) 0.013(3) 0.009(3) 0.007(3) N4 0.023(3) 0.030(3) 0.026(3) 0.009(2) 0.000(2) -0.001(3) N5 0.021(3) 0.045(4) 0.028(3) 0.009(3) 0.003(2) 0.009(3) N6 0.026(3) 0.033(4) 0.054(5) 0.006(3) 0.009(3) 0.003(3) N7 0.048(4) 0.047(5) 0.048(5) 0.022(4) 0.022(4) 0.017(4) O1 0.042(3) 0.070(5) 0.064(4) 0.035(3) 0.019(3) 0.017(4) O2 0.061(5) 0.070(5) 0.089(6) 0.035(4) 0.022(4) 0.038(5) O3 0.048(4) 0.084(5) 0.061(4) 0.034(4) 0.029(3) 0.022(4) O4 0.070(4) 0.047(4) 0.063(4) 0.036(3) 0.035(4) 0.025(3) O5 0.047(4) 0.062(4) 0.067(5) 0.025(3) 0.033(3) 0.031(4) O6 0.103(6) 0.051(5) 0.134(8) 0.037(4) 0.092(7) 0.045(5) 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' Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_publ_flag N4 Pb1 O1 73.5(2) no N4 Pb1 N2 98.9(2) no O1 Pb1 N2 74.9(2) no N4 Pb1 N1 68.2(2) no O1 Pb1 N1 117.3(2) no N2 Pb1 N1 64.6(2) no N4 Pb1 O4 70.6(2) no O1 Pb1 O4 135.3(2) no N2 Pb1 O4 136.02(18) no N1 Pb1 O4 72.04(19) no N1 C1 C2 110.9(6) no N1 C1 H1A 109.5 no C2 C1 H1A 109.5 no N1 C1 H1B 109.5 no C2 C1 H1B 109.5 no H1A C1 H1B 108.1 no N2 C2 N3 113.7(7) no N2 C2 C1 122.4(7) no N3 C2 C1 123.8(7) no C4 C3 N3 132.5(8) no C4 C3 C8 123.1(8) no N3 C3 C8 104.4(7) no C3 C4 C5 116.3(9) no C3 C4 H4 121.8 no C5 C4 H4 121.8 no C4 C5 C6 121.6(10) no C4 C5 H5 119.2 no C6 C5 H5 119.2 no C7 C6 C5 121.7(9) no C7 C6 H6 119.2 no C5 C6 H6 119.2 no C6 C7 C8 117.6(9) no C6 C7 H7 121.2 no C8 C7 H7 121.2 no C7 C8 N2 131.6(8) no C7 C8 C3 119.6(8) no N2 C8 C3 108.7(7) no N1 C9 C10 110.8(6) no N1 C9 H9A 109.5 no C10 C9 H9A 109.5 no N1 C9 H9B 109.5 no C10 C9 H9B 109.5 no H9A C9 H9B 108.1 no N4 C10 N5 112.3(7) no N4 C10 C9 123.6(7) no N5 C10 C9 124.0(6) no C12 C11 N5 132.5(7) no C12 C11 C16 123.2(7) no N5 C11 C16 104.4(7) no C13 C12 C11 117.0(8) no C13 C12 H12 121.5 no C11 C12 H12 121.5 no C12 C13 C14 120.5(9) no C12 C13 H13 119.8 no C14 C13 H13 119.8 no C15 C14 C13 122.4(9) no C15 C14 H14 118.8 no C13 C14 H14 118.8 no C14 C15 C16 117.6(8) no C14 C15 H15 121.2 no C16 C15 H15 121.2 no N4 C16 C15 132.0(7) no N4 C16 C11 108.8(6) no C15 C16 C11 119.1(8) no C1 N1 C9 111.1(6) no C1 N1 Pb1 111.7(4) no C9 N1 Pb1 110.7(4) no C1 N1 H1 107.7 no C9 N1 H1 107.7 no Pb1 N1 H1 107.7 no C2 N2 C8 105.3(7) no C2 N2 Pb1 116.9(5) no C8 N2 Pb1 136.9(5) no C2 N3 C3 107.8(6) no C2 N3 H3 126.1 no C3 N3 H3 126.1 no C10 N4 C16 106.5(6) no C10 N4 Pb1 120.6(5) no C16 N4 Pb1 132.7(5) no C10 N5 C11 107.9(6) no C10 N5 H5A 126.0 no C11 N5 H5A 126.0 no O3 N6 O2 121.6(7) no O3 N6 O1 119.9(8) no O2 N6 O1 118.5(8) no O6 N7 O4 121.3(8) no O6 N7 O5 119.2(7) no O4 N7 O5 119.4(8) no N6 O1 Pb1 109.6(6) no N7 O4 Pb1 93.5(5) no loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_publ_flag Pb1 N4 2.357(6) no Pb1 O1 2.519(7) no Pb1 N2 2.546(7) no Pb1 N1 2.618(6) no Pb1 O4 2.988(7) no C1 N1 1.448(10) no C1 C2 1.486(11) no C1 H1A 0.9700 no C1 H1B 0.9700 no C2 N2 1.320(10) no C2 N3 1.332(10) no C3 C4 1.366(13) no C3 N3 1.407(11) no C3 C8 1.418(11) no C4 C5 1.386(15) no C4 H4 0.9300 no C5 C6 1.407(16) no C5 H5 0.9300 no C6 C7 1.370(14) no C6 H6 0.9300 no C7 C8 1.393(11) no C7 H7 0.9300 no C8 N2 1.410(11) no C9 N1 1.474(10) no C9 C10 1.492(11) no C9 H9A 0.9700 no C9 H9B 0.9700 no C10 N4 1.307(9) no C10 N5 1.338(10) no C11 C12 1.388(12) no C11 N5 1.399(10) no C11 C16 1.402(10) no C12 C13 1.364(13) no C12 H12 0.9300 no C13 C14 1.407(14) no C13 H13 0.9300 no C14 C15 1.377(14) no C14 H14 0.9300 no C15 C16 1.391(11) no C15 H15 0.9300 no C16 N4 1.387(10) no N1 H1 0.9100 no N3 H3 0.8600 no N5 H5A 0.8600 no N6 O3 1.221(10) no N6 O2 1.231(11) no N6 O1 1.267(9) no N7 O6 1.221(11) no N7 O4 1.232(9) no N7 O5 1.257(10) no loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag N3 H3 O6 1_565 0.86 2.04 2.895(9) 170.3 yes C4 H4 O2 1_565 0.93 2.58 3.332(13) 138.3 yes C4 H4 O5 1_565 0.93 2.52 3.248(12) 135.7 yes N3 H3 O5 1_565 0.86 2.50 3.165(10) 134.5 yes N5 H5A O3 1_455 0.86 2.11 2.876(9) 148.7 yes C12 H12 O1 2 0.93 2.53 3.242(11) 133.3 yes N1 H1 O4 2_556 0.91 2.27 3.099(9) 150.6 yes loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_publ_flag N1 C1 C2 N2 -22.6(12) no N1 C1 C2 N3 160.7(8) no N3 C3 C4 C5 179.3(11) no C8 C3 C4 C5 -0.8(15) no C3 C4 C5 C6 1.0(19) no C4 C5 C6 C7 -1(2) no C5 C6 C7 C8 1.3(19) no C6 C7 C8 N2 -177.4(10) no C6 C7 C8 C3 -1.1(16) no C4 C3 C8 C7 0.8(15) no N3 C3 C8 C7 -179.2(9) no C4 C3 C8 N2 178.0(9) no N3 C3 C8 N2 -2.1(9) no N1 C9 C10 N4 -23.1(11) no N1 C9 C10 N5 158.8(7) no N5 C11 C12 C13 -176.5(8) no C16 C11 C12 C13 3.6(12) no C11 C12 C13 C14 -5.6(13) no C12 C13 C14 C15 5.8(15) no C13 C14 C15 C16 -3.4(14) no C14 C15 C16 N4 177.7(8) no C14 C15 C16 C11 1.2(13) no C12 C11 C16 N4 -178.7(7) no N5 C11 C16 N4 1.4(8) no C12 C11 C16 C15 -1.4(12) no N5 C11 C16 C15 178.6(7) no C2 C1 N1 C9 -85.2(8) no C2 C1 N1 Pb1 38.9(8) no C10 C9 N1 C1 151.1(6) no C10 C9 N1 Pb1 26.4(7) no N4 Pb1 N1 C1 -142.9(6) no O1 Pb1 N1 C1 -86.3(6) no N2 Pb1 N1 C1 -31.0(5) no O4 Pb1 N1 C1 141.4(6) no N4 Pb1 N1 C9 -18.6(5) no O1 Pb1 N1 C9 38.1(6) no N2 Pb1 N1 C9 93.4(5) no O4 Pb1 N1 C9 -94.3(5) no N3 C2 N2 C8 -1.2(10) no C1 C2 N2 C8 -178.3(8) no N3 C2 N2 Pb1 169.9(5) no C1 C2 N2 Pb1 -7.2(10) no C7 C8 N2 C2 178.7(10) no C3 C8 N2 C2 2.1(9) no C7 C8 N2 Pb1 10.4(16) no C3 C8 N2 Pb1 -166.3(6) no N4 Pb1 N2 C2 80.7(6) no O1 Pb1 N2 C2 150.8(6) no N1 Pb1 N2 C2 20.0(6) no O4 Pb1 N2 C2 9.5(8) no N4 Pb1 N2 C8 -111.9(8) no O1 Pb1 N2 C8 -41.8(8) no N1 Pb1 N2 C8 -172.6(9) no O4 Pb1 N2 C8 176.9(7) no N2 C2 N3 C3 -0.1(10) no C1 C2 N3 C3 176.9(8) no C4 C3 N3 C2 -178.7(10) no C8 C3 N3 C2 1.4(9) no N5 C10 N4 C16 0.4(9) no C9 C10 N4 C16 -177.8(7) no N5 C10 N4 Pb1 -176.5(5) no C9 C10 N4 Pb1 5.2(10) no C15 C16 N4 C10 -177.9(9) no C11 C16 N4 C10 -1.2(9) no C15 C16 N4 Pb1 -1.5(13) no C11 C16 N4 Pb1 175.3(5) no O1 Pb1 N4 C10 -121.6(6) no N2 Pb1 N4 C10 -50.4(6) no N1 Pb1 N4 C10 7.6(6) no O4 Pb1 N4 C10 85.4(6) no O1 Pb1 N4 C16 62.3(7) no N2 Pb1 N4 C16 133.6(7) no N1 Pb1 N4 C16 -168.4(7) no O4 Pb1 N4 C16 -90.6(7) no N4 C10 N5 C11 0.4(9) no C9 C10 N5 C11 178.7(7) no C12 C11 N5 C10 178.9(8) no C16 C11 N5 C10 -1.1(8) no O3 N6 O1 Pb1 -160.6(7) no O2 N6 O1 Pb1 17.1(10) no N4 Pb1 O1 N6 -127.9(6) no N2 Pb1 O1 N6 127.8(6) no N1 Pb1 O1 N6 178.2(5) no O4 Pb1 O1 N6 -90.2(6) no O6 N7 O4 Pb1 -178.5(10) no O5 N7 O4 Pb1 2.4(9) no N4 Pb1 O4 N7 94.9(6) no O1 Pb1 O4 N7 56.6(7) no N2 Pb1 O4 N7 177.5(5) no N1 Pb1 O4 N7 167.5(6) no