#------------------------------------------------------------------------------ #$Date: 2012-02-26 23:34:47 +0200 (Sun, 26 Feb 2012) $ #$Revision: 35909 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/05/26/7052629.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7052629 loop_ _publ_author_name 'Kostakis, George E.' 'Casella, Luigi' 'Boudalis, Athanassios K.' 'Monzani, Enrico' 'Plakatouras, John C.' _publ_section_title ; Structural variation from 1D chains to 3D networks: a systematic study of coordination number effect on the construction of coordination polymers using the terepthaloylbisglycinate ligand ; _journal_issue 5 _journal_name_full 'New Journal of Chemistry' _journal_page_first 1060 _journal_volume 35 _journal_year 2011 _chemical_compound_source 'synthesis as described' _chemical_formula_moiety 'C12 H20 N2 O11 Pb1' _chemical_formula_sum 'C12 H20 N2 O11 Pb' _chemical_formula_weight 575.49 _chemical_name_systematic ; ? ; _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_conform_dict_location ftp://ftp.iucr.org/pub/cif_core.dic _audit_conform_dict_name cif_core.dic _audit_conform_dict_version 2.3 _audit_creation_date 2005-05-06T09:26:22-00:00 _audit_creation_method 'WinGX routine CIF_UPDATE' _cell_angle_alpha 90 _cell_angle_beta 90.331(4) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.7914(6) _cell_length_b 30.287(3) _cell_length_c 8.1676(8) _cell_measurement_reflns_used 5544 _cell_measurement_temperature 100 _cell_measurement_theta_max 35.96 _cell_measurement_theta_min 2.83 _cell_measurement_wavelength 0.71073 _cell_volume 1680.0(3) _computing_cell_refinement 'Bruker SMART' _computing_data_collection 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Ortep-3 for Windows (Farrugia, 1997)' _computing_publication_material 'WinGX publication routines (Farrugia, 1999)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _diffrn_ambient_temperature 100 _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.837 _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_probe x-ray _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0454 _diffrn_reflns_av_unetI/netI 0.0479 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_k_max 46 _diffrn_reflns_limit_k_min -38 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_number 21668 _diffrn_reflns_theta_full 35.96 _diffrn_reflns_theta_max 35.96 _diffrn_reflns_theta_min 1.34 _exptl_absorpt_coefficient_mu 10.107 _exptl_absorpt_correction_T_max 1 _exptl_absorpt_correction_T_min 0.33155 _exptl_absorpt_correction_type empirical _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 2.275 _exptl_crystal_density_meas 'not measured' _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 1104 _exptl_crystal_size_max 0.5 _exptl_crystal_size_mid 0.4 _exptl_crystal_size_min 0.2 _refine_diff_density_max 6.209 _refine_diff_density_min -3.46 _refine_diff_density_rms 0.322 _refine_ls_extinction_coef 0.00040(14) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 237 _refine_ls_number_reflns 6650 _refine_ls_number_restraints 24 _refine_ls_restrained_S_all 1.053 _refine_ls_R_factor_all 0.0546 _refine_ls_R_factor_gt 0.0426 _refine_ls_shift/su_max 0 _refine_ls_shift/su_mean 0 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0547P)^2^+12.4143P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1114 _refine_ls_wR_factor_ref 0.1204 _reflns_number_gt 5386 _reflns_number_total 6650 _reflns_threshold_expression >2sigma(I) _[local]_cod_data_source_file c0nj01009j.txt _[local]_cod_data_source_block km0705 _[local]_cod_cif_authors_sg_H-M P21/c _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius ; _cod_database_code 7052629 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' 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 Pb1 Pb 0.00298(3) 0.251494(5) 0.43431(2) 0.00724(7) Uani 1 1 d . . . O1 O -0.1419(6) 0.20776(14) 0.2088(6) 0.0113(8) Uani 1 1 d . . . O2 O -0.2094(7) 0.17318(14) 0.4395(6) 0.0136(8) Uani 1 1 d . . . O3 O -0.1082(7) 0.07215(16) 0.3434(7) 0.0153(9) Uani 1 1 d . . . O4 O 0.1358(6) 0.29431(14) 0.2039(6) 0.0117(8) Uani 1 1 d . . . O5 O 0.2065(7) 0.33186(14) 0.4291(7) 0.0155(9) Uani 1 1 d . . . O6 O 0.0976(7) 0.43081(16) 0.3336(7) 0.0164(10) Uani 1 1 d . . . O1W O -0.3040(6) 0.29506(15) 0.3292(6) 0.0131(9) Uani 1 1 d . . . H11 H -0.3393 0.281 0.2455 0.016 Uiso 1 1 d R . . H12 H -0.2676 0.3173 0.2761 0.016 Uiso 1 1 d R . . O2W O 0.2975(7) 0.20590(15) 0.3245(5) 0.0119(9) Uani 1 1 d . . . H21 H 0.2647 0.1805 0.2935 0.014 Uiso 1 1 d R . . H22 H 0.3574 0.2193 0.2497 0.014 Uiso 1 1 d R . . O3W O -0.2059(6) 0.37808(15) 0.2185(6) 0.0137(9) Uani 1 1 d . . . H31 H -0.1958 0.375 0.1167 0.016 Uiso 1 1 d R . . H32 H -0.1138 0.3941 0.2533 0.016 Uiso 1 1 d R . . O4W O 0.1906(6) 0.12231(14) 0.2218(6) 0.0124(8) Uani 1 1 d . . . H41 H 0.0867 0.1224 0.2772 0.015 Uiso 1 1 d R . . H42 H 0.1892 0.1301 0.1231 0.015 Uiso 1 1 d R . . O5W O 0.4947(8) 0.25021(11) 0.5776(5) 0.0125(8) Uani 1 1 d . . . H51 H 0.4002 0.2392 0.5249 0.015 Uiso 1 1 d R . . H52 H 0.5566 0.2668 0.5135 0.015 Uiso 1 1 d R . . N1 N -0.3982(8) 0.10449(15) 0.2746(7) 0.0099(9) Uani 1 1 d . . . H1 H -0.5269 0.1042 0.2863 0.012 Uiso 1 1 calc R . . N2 N 0.3842(7) 0.39948(16) 0.2550(7) 0.0099(9) Uani 1 1 d . . . H2 H 0.5136 0.401 0.2571 0.012 Uiso 1 1 calc R . . C1 C -0.2152(8) 0.17573(17) 0.2877(8) 0.0086(10) Uani 1 1 d . . . C2 C -0.3103(9) 0.13950(19) 0.1821(7) 0.0097(11) Uani 1 1 d . . . H2A H -0.4126 0.1531 0.1115 0.012 Uiso 1 1 calc R . . H2B H -0.2086 0.1268 0.1096 0.012 Uiso 1 1 calc R . . C3 C -0.2913(9) 0.07195(18) 0.3444(8) 0.0087(10) Uani 1 1 d . . . C4 C -0.4011(8) 0.03576(19) 0.4248(9) 0.0081(10) Uani 1 1 d U . . C5 C -0.6043(9) 0.0276(2) 0.3948(8) 0.0109(11) Uani 1 1 d U . . H5 H -0.676 0.0464 0.3229 0.013 Uiso 1 1 calc R . . C6 C -0.3014(9) 0.00754(19) 0.5304(7) 0.0096(10) Uani 1 1 d U . . H6 H -0.1655 0.0124 0.5519 0.012 Uiso 1 1 calc R . . C11 C 0.2061(8) 0.32783(18) 0.2801(8) 0.0085(10) Uani 1 1 d . . . C12 C 0.2932(9) 0.36339(19) 0.1674(8) 0.0104(11) Uani 1 1 d . . . H12A H 0.3925 0.3495 0.0956 0.013 Uiso 1 1 calc R . . H12B H 0.1869 0.3753 0.0966 0.013 Uiso 1 1 calc R . . C13 C 0.2812(10) 0.4308(2) 0.3335(8) 0.0119(11) Uani 1 1 d . . . C14 C 0.3961(8) 0.4659(2) 0.4193(9) 0.0101(12) Uani 1 1 d . . . C15 C 0.2968(9) 0.50404(19) 0.4716(7) 0.0093(10) Uani 1 1 d U . . H15 H 0.1589 0.5067 0.4543 0.011 Uiso 1 1 calc R . . C16 C 0.6006(9) 0.46217(19) 0.4515(9) 0.0099(11) Uani 1 1 d . . . H16 H 0.6685 0.4361 0.4201 0.012 Uiso 1 1 calc R . . 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 Pb1 0.00899(9) 0.00359(9) 0.00915(9) -0.00002(6) 0.00156(15) -0.00038(8) O1 0.0138(19) 0.0063(17) 0.014(2) 0.0018(16) -0.0026(18) -0.0045(15) O2 0.021(2) 0.0067(17) 0.013(2) -0.0009(17) -0.004(2) -0.0051(16) O3 0.0080(18) 0.014(2) 0.024(3) 0.0036(19) -0.0029(18) -0.0029(16) O4 0.0127(19) 0.0058(17) 0.017(2) -0.0002(16) -0.0077(18) -0.0023(15) O5 0.024(2) 0.0054(17) 0.017(2) -0.0010(17) -0.001(2) -0.0059(16) O6 0.0104(19) 0.0086(19) 0.030(3) -0.0069(18) -0.0052(19) 0.0001(16) O1W 0.0104(19) 0.011(2) 0.018(2) -0.0006(16) -0.0050(18) -0.0019(16) O2W 0.014(2) 0.0101(19) 0.012(2) -0.0003(15) -0.0010(17) 0.0020(16) O3W 0.0112(19) 0.0110(19) 0.019(2) -0.0025(18) -0.0043(19) -0.0013(16) O4W 0.0092(18) 0.0118(19) 0.016(2) 0.0032(17) -0.0040(17) -0.0032(15) O5W 0.0146(18) 0.0089(18) 0.0139(18) -0.0001(14) -0.005(3) -0.0037(18) N1 0.011(2) 0.0035(18) 0.016(2) 0.0003(18) -0.0041(19) -0.0041(16) N2 0.008(2) 0.0049(19) 0.017(3) -0.0008(18) -0.0038(19) -0.0035(16) C1 0.008(2) 0.002(2) 0.016(3) -0.002(2) -0.004(2) 0.0010(17) C2 0.010(2) 0.006(2) 0.013(3) 0.0033(18) -0.003(2) -0.0008(19) C3 0.009(2) 0.003(2) 0.014(3) 0.0032(19) -0.004(2) -0.0019(18) C4 0.0083(12) 0.0073(12) 0.0089(13) 0.0002(9) -0.0010(9) -0.0003(9) C5 0.0115(14) 0.0096(14) 0.0115(14) 0.0004(9) -0.0010(9) -0.0005(9) C6 0.0103(13) 0.0085(13) 0.0101(13) 0.0004(9) -0.0006(9) -0.0009(9) C11 0.007(2) 0.005(2) 0.013(3) -0.001(2) -0.001(2) -0.0006(18) C12 0.010(2) 0.005(2) 0.017(3) -0.002(2) -0.002(2) -0.0027(19) C13 0.016(3) 0.006(2) 0.014(3) -0.001(2) -0.003(2) -0.002(2) C14 0.008(2) 0.007(2) 0.015(3) 0.000(2) -0.001(2) -0.0004(18) C15 0.0100(13) 0.0083(13) 0.0097(13) -0.0002(9) -0.0014(9) 0.0004(9) C16 0.013(2) 0.003(2) 0.013(3) -0.003(2) -0.009(2) 0.0019(18) 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 0 '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 0.006 '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_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O4 Pb1 O1 81.85(14) . . ? O4 Pb1 O2W 74.30(15) . . ? O1 Pb1 O2W 76.18(15) . . ? O4 Pb1 O1W 77.15(15) . . ? O1 Pb1 O1W 73.23(15) . . ? O2W Pb1 O1W 140.50(13) . . ? O4 Pb1 O1 121.47(15) . 4_566 ? O1 Pb1 O1 134.99(19) . 4_566 ? O2W Pb1 O1 143.32(14) . 4_566 ? O1W Pb1 O1 75.63(14) . 4_566 ? O4 Pb1 O4 139.30(19) . 4_566 ? O1 Pb1 O4 117.01(15) . 4_566 ? O2W Pb1 O4 76.02(14) . 4_566 ? O1W Pb1 O4 140.94(14) . 4_566 ? O1 Pb1 O4 71.98(13) 4_566 4_566 ? C1 O1 Pb1 100.8(4) . . ? C1 O1 Pb1 154.5(4) . 4_565 ? Pb1 O1 Pb1 102.99(15) . 4_565 ? C11 O4 Pb1 100.5(4) . . ? C11 O4 Pb1 155.3(4) . 4_565 ? Pb1 O4 Pb1 103.09(15) . 4_565 ? Pb1 O1W H11 103.6 . . ? Pb1 O1W H12 109.8 . . ? H11 O1W H12 94.1 . . ? Pb1 O2W H21 112.9 . . ? Pb1 O2W H22 111.8 . . ? H21 O2W H22 110.6 . . ? H31 O3W H32 109.4 . . ? H41 O4W H42 120.7 . . ? H51 O5W H52 107.6 . . ? C3 N1 C2 122.6(5) . . ? C3 N1 H1 118.7 . . ? C2 N1 H1 118.7 . . ? C13 N2 C12 123.2(5) . . ? C13 N2 H2 118.4 . . ? C12 N2 H2 118.4 . . ? O2 C1 O1 123.0(6) . . ? O2 C1 C2 121.8(5) . . ? O1 C1 C2 115.2(6) . . ? N1 C2 C1 114.0(5) . . ? N1 C2 H2A 108.7 . . ? C1 C2 H2A 108.7 . . ? N1 C2 H2B 108.7 . . ? C1 C2 H2B 108.7 . . ? H2A C2 H2B 107.6 . . ? O3 C3 N1 122.0(5) . . ? O3 C3 C4 120.8(5) . . ? N1 C3 C4 117.2(5) . . ? C6 C4 C5 118.0(6) . . ? C6 C4 C3 119.1(5) . . ? C5 C4 C3 122.9(6) . . ? C6 C5 C4 120.5(6) 3_456 . ? C6 C5 H5 119.7 3_456 . ? C4 C5 H5 119.7 . . ? C5 C6 C4 121.5(6) 3_456 . ? C5 C6 H6 119.3 3_456 . ? C4 C6 H6 119.3 . . ? O5 C11 O4 124.2(5) . . ? O5 C11 C12 121.8(5) . . ? O4 C11 C12 114.0(5) . . ? N2 C12 C11 113.5(5) . . ? N2 C12 H12A 108.9 . . ? C11 C12 H12A 108.9 . . ? N2 C12 H12B 108.9 . . ? C11 C12 H12B 108.9 . . ? H12A C12 H12B 107.7 . . ? O6 C13 N2 121.6(6) . . ? O6 C13 C14 121.4(6) . . ? N2 C13 C14 117.0(5) . . ? C15 C14 C16 118.7(6) . . ? C15 C14 C13 118.5(5) . . ? C16 C14 C13 122.7(6) . . ? C16 C15 C14 120.2(6) 3_666 . ? C16 C15 H15 119.9 3_666 . ? C14 C15 H15 119.9 . . ? C15 C16 C14 121.0(6) 3_666 . ? C15 C16 H16 119.5 3_666 . ? C14 C16 H16 119.5 . . ? 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 Pb1 O4 2.461(5) . ? Pb1 O1 2.469(5) . ? Pb1 O2W 2.595(4) . ? Pb1 O1W 2.608(5) . ? Pb1 O1 2.746(5) 4_566 ? Pb1 O4 2.750(5) 4_566 ? O1 C1 1.268(7) . ? O1 Pb1 2.746(5) 4_565 ? O2 C1 1.243(8) . ? O3 C3 1.244(7) . ? O4 C11 1.282(7) . ? O4 Pb1 2.750(5) 4_565 ? O5 C11 1.223(8) . ? O6 C13 1.247(8) . ? O1W H11 0.8398 . ? O1W H12 0.84 . ? O2W H21 0.8402 . ? O2W H22 0.8402 . ? O3W H31 0.84 . ? O3W H32 0.8401 . ? O4W H41 0.84 . ? O4W H42 0.84 . ? O5W H51 0.8396 . ? O5W H52 0.8401 . ? N1 C3 1.348(8) . ? N1 C2 1.434(7) . ? N1 H1 0.88 . ? N2 C13 1.344(8) . ? N2 C12 1.443(8) . ? N2 H2 0.88 . ? C1 C2 1.536(8) . ? C2 H2A 0.99 . ? C2 H2B 0.99 . ? C3 C4 1.482(8) . ? C4 C6 1.388(9) . ? C4 C5 1.422(9) . ? C5 C6 1.386(8) 3_456 ? C5 H5 0.95 . ? C6 C5 1.386(8) 3_456 ? C6 H6 0.95 . ? C11 C12 1.537(8) . ? C12 H12A 0.99 . ? C12 H12B 0.99 . ? C13 C14 1.491(9) . ? C14 C15 1.405(8) . ? C14 C16 1.417(9) . ? C15 C16 1.386(9) 3_666 ? C15 H15 0.95 . ? C16 C15 1.386(9) 3_666 ? C16 H16 0.95 . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1 O4W 0.88 2.06 2.875(7) 153.4 1_455 N2 H2 O3W 0.88 2.05 2.875(7) 154.9 1_655 O1W H11 O5W 0.84 2.01 2.818(6) 162.2 4_465 O1W H12 O3W 0.84 1.95 2.755(7) 161.7 . O2W H21 O4W 0.84 1.92 2.763(6) 179.7 . O2W H22 O5W 0.84 1.93 2.768(6) 179.8 4_565 O3W H31 O2 0.84 2.06 2.757(7) 140.4 4_565 O3W H32 O6 0.84 1.93 2.768(7) 179.9 . O4W H41 O3 0.84 2.09 2.727(6) 132.2 . O4W H42 O5 0.84 1.96 2.767(7) 159.9 4_565 O5W H51 O2W 0.84 2.04 2.800(6) 149.7 . O5W H52 O1W 0.84 1.98 2.804(6) 167.5 1_655 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O4 Pb1 O1 C1 172.9(4) . . . . ? O2W Pb1 O1 C1 97.2(4) . . . . ? O1W Pb1 O1 C1 -108.1(4) . . . . ? O1 Pb1 O1 C1 -60.0(4) 4_566 . . . ? O4 Pb1 O1 C1 31.0(4) 4_566 . . . ? O4 Pb1 O1 Pb1 2.31(15) . . . 4_565 ? O2W Pb1 O1 Pb1 -73.43(16) . . . 4_565 ? O1W Pb1 O1 Pb1 81.27(16) . . . 4_565 ? O1 Pb1 O1 Pb1 129.37(17) 4_566 . . 4_565 ? O4 Pb1 O1 Pb1 -139.56(13) 4_566 . . 4_565 ? O1 Pb1 O4 C11 170.2(4) . . . . ? O2W Pb1 O4 C11 -111.9(4) . . . . ? O1W Pb1 O4 C11 95.7(4) . . . . ? O1 Pb1 O4 C11 31.7(4) 4_566 . . . ? O4 Pb1 O4 C11 -67.3(4) 4_566 . . . ? O1 Pb1 O4 Pb1 -2.31(15) . . . 4_565 ? O2W Pb1 O4 Pb1 75.54(16) . . . 4_565 ? O1W Pb1 O4 Pb1 -76.86(16) . . . 4_565 ? O1 Pb1 O4 Pb1 -140.88(13) 4_566 . . 4_565 ? O4 Pb1 O4 Pb1 120.17(19) 4_566 . . 4_565 ? Pb1 O1 C1 O2 2.5(7) . . . . ? Pb1 O1 C1 O2 160.8(6) 4_565 . . . ? Pb1 O1 C1 C2 -176.6(4) . . . . ? Pb1 O1 C1 C2 -18.3(12) 4_565 . . . ? C3 N1 C2 C1 -78.2(7) . . . . ? O2 C1 C2 N1 2.9(8) . . . . ? O1 C1 C2 N1 -177.9(5) . . . . ? C2 N1 C3 O3 5.6(10) . . . . ? C2 N1 C3 C4 -175.0(6) . . . . ? O3 C3 C4 C6 14.5(10) . . . . ? N1 C3 C4 C6 -164.8(6) . . . . ? O3 C3 C4 C5 -163.4(6) . . . . ? N1 C3 C4 C5 17.3(9) . . . . ? C6 C4 C5 C6 0.1(10) . . . 3_456 ? C3 C4 C5 C6 178.0(6) . . . 3_456 ? C5 C4 C6 C5 -0.1(10) . . . 3_456 ? C3 C4 C6 C5 -178.1(6) . . . 3_456 ? Pb1 O4 C11 O5 3.5(7) . . . . ? Pb1 O4 C11 O5 165.9(6) 4_565 . . . ? Pb1 O4 C11 C12 -176.9(4) . . . . ? Pb1 O4 C11 C12 -14.4(12) 4_565 . . . ? C13 N2 C12 C11 -73.9(8) . . . . ? O5 C11 C12 N2 3.8(8) . . . . ? O4 C11 C12 N2 -175.9(5) . . . . ? C12 N2 C13 O6 -0.8(10) . . . . ? C12 N2 C13 C14 179.7(6) . . . . ? O6 C13 C14 C15 -13.1(10) . . . . ? N2 C13 C14 C15 166.3(6) . . . . ? O6 C13 C14 C16 166.2(7) . . . . ? N2 C13 C14 C16 -14.3(10) . . . . ? C16 C14 C15 C16 2.1(11) . . . 3_666 ? C13 C14 C15 C16 -178.5(6) . . . 3_666 ? C15 C14 C16 C15 -2.1(11) . . . 3_666 ? C13 C14 C16 C15 178.5(6) . . . 3_666 ?