#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/76/2217666.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_2217666
loop_
_publ_author_name
'Soleimannejad, Janet'
'Aghabozorg, Hossein'
'Yaghoub Mohammadzadeh Azar Golenji'
'Attar Gharamaleki, Jafar'
'Adams, Harry'
_publ_section_title
;Bis(4,4'-bipyridinium)
 di-μ-hydroxido-bis[dihydroxido(pyridine-2,6-dicarboxylato)antimonate(III,V)]
 octahydrate
;
_journal_coeditor_code           SU2034
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m387
_journal_page_last               m388
_journal_paper_doi               10.1107/S1600536808001372
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'(C10 H9 N2)2 [Sb2 (C7 H3 N O4)2 (O H)6], 8H2 O'
_chemical_formula_moiety         '2C10 H9 N2 +, C14 H12 N2 O14 Sb2 2-, 8H2 O'
_chemical_formula_sum            'C34 H46 N6 O22 Sb2'
_chemical_formula_weight         1134.27
_chemical_name_systematic
;
Bis(4,4'-bipyridinium)
di-μ-hydroxido-bis[dihydroxido(pyridine-2,6-dicarboxylato)antimonate(III,V)]
octahydrate
;
_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           SHELXL-97
_cell_angle_alpha                92.816(2)
_cell_angle_beta                 97.813(2)
_cell_angle_gamma                114.046(2)
_cell_formula_units_Z            1
_cell_length_a                   10.0149(11)
_cell_length_b                   10.4826(12)
_cell_length_c                   11.0974(12)
_cell_measurement_reflns_used    9637
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.51
_cell_measurement_theta_min      2.26
_cell_volume                     1047.0(2)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'SMART (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Version 6.1; Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Version 6.1; Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12026
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.63
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.384
_exptl_absorpt_correction_T_max  0.6143
_exptl_absorpt_correction_T_min  0.5875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.39
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.704
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0357P)²+0.4561P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0597
_reflns_number_gt                4536
_reflns_number_total             4790
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            su2034.cif
_cod_data_source_block           I
_cod_database_code               2217666
_cod_database_fobs_code          2217666
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
Sb Sb1 0.140841(13) 0.156744(12) 0.066281(11) 0.01594(5) Uani d . 1
O O1 0.26613(19) 0.54127(16) -0.09185(15) 0.0316(4) Uani d . 1
O O2 0.18376(16) 0.31302(14) -0.06761(13) 0.0199(3) Uani d . 1
O O3 0.23282(16) 0.13870(15) 0.26029(13) 0.0199(3) Uani d . 1
O O4 0.40060(16) 0.23914(16) 0.43165(13) 0.0250(3) Uani d . 1
O O5 0.00823(16) 0.23727(15) 0.12176(13) 0.0195(3) Uani d . 1
H H5A -0.0555 0.1808 0.1595 0.023 Uiso d R 1
O O6 0.29732(15) 0.09324(15) 0.02785(13) 0.0191(3) Uani d . 1
H H6A 0.2826 0.0571 -0.0457 0.023 Uiso d R 1
O O7 -0.00038(15) 0.04568(14) -0.09706(12) 0.0176(3) Uani d . 1
H H7A 0.0135 0.0703 -0.1678 0.021 Uiso d R 1
O O8 0.02690(17) 0.10749(16) 0.66612(14) 0.0263(3) Uani d . 1
H H8B -0.0591 0.0577 0.6255 0.032 Uiso d R 1
H H8A 0.0522 0.1931 0.6543 0.032 Uiso d R 1
O O9 0.57770(18) 0.19751(17) 0.16030(17) 0.0339(4) Uani d . 1
H H9A 0.6340 0.2752 0.1385 0.041 Uiso d R 1
H H9B 0.4909 0.1677 0.1186 0.041 Uiso d R 1
O O10 0.73724(19) 0.04248(19) 0.20370(16) 0.0325(4) Uani d . 1
H H10A 0.7380 0.0232 0.2772 0.039 Uiso d R 1
H H10B 0.6871 0.0909 0.1924 0.039 Uiso d R 1
O O11 0.21742(19) 0.02296(18) 0.55043(16) 0.0336(4) Uani d . 1
H H11A 0.2735 0.0927 0.5183 0.040 Uiso d R 1
H H11B 0.1591 0.0538 0.5768 0.040 Uiso d R 1
N N1 0.32909(17) 0.36461(17) 0.15357(15) 0.0165(3) Uani d . 1
N N2 0.1174(2) 0.3633(2) 0.57504(17) 0.0255(4) Uani d . 1
N N3 0.2738(2) 0.87729(19) 0.16815(17) 0.0246(4) Uani d . 1
H H3A 0.2886 0.9474 0.1279 0.030 Uiso d R 1
C C1 0.2631(2) 0.4435(2) -0.03335(18) 0.0193(4) Uani d . 1
C C2 0.3588(2) 0.4768(2) 0.09189(18) 0.0176(4) Uani d . 1
C C3 0.4662(2) 0.6083(2) 0.14286(19) 0.0214(4) Uani d . 1
H H3 0.4875 0.6873 0.0982 0.026 Uiso calc R 1
C C4 0.5418(2) 0.6217(2) 0.2608(2) 0.0231(4) Uani d . 1
H H4 0.6172 0.7101 0.2973 0.028 Uiso calc R 1
C C5 0.5066(2) 0.5052(2) 0.32512(19) 0.0205(4) Uani d . 1
H H5 0.5555 0.5131 0.4065 0.025 Uiso calc R 1
C C6 0.3983(2) 0.3768(2) 0.26789(18) 0.0171(4) Uani d . 1
C C7 0.3418(2) 0.2413(2) 0.32655(18) 0.0188(4) Uani d . 1
C C8 0.3600(2) 0.9113(2) 0.2791(2) 0.0252(4) Uani d . 1
H H8 0.4367 1.0033 0.3014 0.030 Uiso calc R 1
C C9 0.3369(2) 0.8123(2) 0.3604(2) 0.0233(4) Uani d . 1
H H9 0.3985 0.8354 0.4384 0.028 Uiso calc R 1
C C10 0.2220(2) 0.6773(2) 0.32763(19) 0.0194(4) Uani d . 1
C C11 0.1893(2) 0.5700(2) 0.41423(18) 0.0192(4) Uani d . 1
C C12 0.2114(2) 0.6064(2) 0.54032(19) 0.0224(4) Uani d . 1
H H12 0.2522 0.7023 0.5737 0.027 Uiso calc R 1
C C13 0.1729(2) 0.5006(2) 0.6161(2) 0.0256(4) Uani d . 1
H H13 0.1864 0.5265 0.7016 0.031 Uiso calc R 1
C C14 0.0983(2) 0.3295(2) 0.4541(2) 0.0255(4) Uani d . 1
H H14 0.0601 0.2328 0.4238 0.031 Uiso calc R 1
C C15 0.1307(2) 0.4270(2) 0.37092(19) 0.0217(4) Uani d . 1
H H15 0.1136 0.3975 0.2857 0.026 Uiso calc R 1
C C16 0.1364(2) 0.6464(2) 0.2104(2) 0.0230(4) Uani d . 1
H H16 0.0589 0.5554 0.1853 0.028 Uiso calc R 1
C C17 0.1649(2) 0.7487(2) 0.1313(2) 0.0247(4) Uani d . 1
H H17 0.1079 0.7280 0.0514 0.030 Uiso calc R 1
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'
Sb Sb -0.5866 1.5461 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O5 Sb1 O6 . . 172.26(6) n
O5 Sb1 O7 . 2 92.04(6) ?
O6 Sb1 O7 . 2 92.06(6) ?
O5 Sb1 O7 . . 96.38(6) ?
O6 Sb1 O7 . . 91.19(6) ?
O7 Sb1 O7 2 . 69.97(6) n
O5 Sb1 O2 . . 85.52(6) ?
O6 Sb1 O2 . . 94.93(6) ?
O7 Sb1 O2 2 . 144.33(5) ?
O7 Sb1 O2 . . 74.95(5) ?
O5 Sb1 O3 . . 93.16(6) ?
O6 Sb1 O3 . . 81.44(6) ?
O7 Sb1 O3 2 . 76.29(5) ?
O7 Sb1 O3 . . 145.17(5) ?
O2 Sb1 O3 . . 139.34(5) ?
O5 Sb1 N1 . . 85.26(6) ?
O6 Sb1 N1 . . 87.62(6) ?
O7 Sb1 N1 2 . 145.09(6) ?
O7 Sb1 N1 . . 144.94(5) ?
O2 Sb1 N1 . . 70.26(6) ?
O3 Sb1 N1 . . 69.14(5) ?
C1 O2 Sb1 . . 120.96(12) ?
C7 O3 Sb1 . . 122.17(13) ?
Sb1 O5 H5A . . 112.1 ?
Sb1 O6 H6A . . 114.1 ?
Sb1 O7 Sb1 2 . 110.03(6) n
Sb1 O7 H7A 2 . 123.7 ?
Sb1 O7 H7A . . 124.2 ?
H8B O8 H8A . . 109.6 ?
H9A O9 H9B . . 110.3 ?
H10A O10 H10B . . 107.5 ?
H11A O11 H11B . . 102.1 ?
C6 N1 C2 . . 120.88(17) ?
C6 N1 Sb1 . . 120.49(13) ?
C2 N1 Sb1 . . 118.34(13) ?
C14 N2 C13 . . 117.14(19) ?
C17 N3 C8 . . 122.71(19) ?
C17 N3 H3A . . 123.8 ?
C8 N3 H3A . . 113.1 ?
O1 C1 O2 . . 125.97(19) ?
O1 C1 C2 . . 118.90(18) ?
O2 C1 C2 . . 115.12(17) ?
N1 C2 C3 . . 121.23(18) ?
N1 C2 C1 . . 113.09(17) ?
C3 C2 C1 . . 125.67(18) ?
C2 C3 C4 . . 118.43(19) ?
C2 C3 H3 . . 120.8 ?
C4 C3 H3 . . 120.8 ?
C5 C4 C3 . . 119.68(19) ?
C5 C4 H4 . . 120.2 ?
C3 C4 H4 . . 120.2 ?
C4 C5 C6 . . 118.62(19) ?
C4 C5 H5 . . 120.7 ?
C6 C5 H5 . . 120.7 ?
N1 C6 C5 . . 121.11(18) ?
N1 C6 C7 . . 113.42(17) ?
C5 C6 C7 . . 125.42(18) ?
O4 C7 O3 . . 126.20(19) ?
O4 C7 C6 . . 119.09(18) ?
O3 C7 C6 . . 114.70(17) ?
N3 C8 C9 . . 119.8(2) ?
N3 C8 H8 . . 120.1 ?
C9 C8 H8 . . 120.1 ?
C8 C9 C10 . . 119.8(2) ?
C8 C9 H9 . . 120.1 ?
C10 C9 H9 . . 120.1 ?
C16 C10 C9 . . 118.21(19) ?
C16 C10 C11 . . 120.30(18) ?
C9 C10 C11 . . 121.48(18) ?
C12 C11 C15 . . 117.78(19) ?
C12 C11 C10 . . 121.82(19) ?
C15 C11 C10 . . 120.38(18) ?
C13 C12 C11 . . 119.0(2) ?
C13 C12 H12 . . 120.5 ?
C11 C12 H12 . . 120.5 ?
N2 C13 C12 . . 123.4(2) ?
N2 C13 H13 . . 118.3 ?
C12 C13 H13 . . 118.3 ?
N2 C14 C15 . . 123.8(2) ?
N2 C14 H14 . . 118.1 ?
C15 C14 H14 . . 118.1 ?
C14 C15 C11 . . 118.8(2) ?
C14 C15 H15 . . 120.6 ?
C11 C15 H15 . . 120.6 ?
C17 C16 C10 . . 119.9(2) ?
C17 C16 H16 . . 120.1 ?
C10 C16 H16 . . 120.1 ?
N3 C17 C16 . . 119.6(2) ?
N3 C17 H17 . . 120.2 ?
C16 C17 H17 . . 120.2 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sb1 O5 . 1.9850(14) n
Sb1 O6 . 2.0211(14) n
Sb1 O7 2 2.0898(13) n
Sb1 O7 . 2.0964(13) n
Sb1 O2 . 2.2169(14) n
Sb1 O3 . 2.2721(14) n
Sb1 N1 . 2.2779(16) n
O1 C1 . 1.232(3) ?
O2 C1 . 1.276(2) ?
O3 C7 . 1.279(2) ?
O4 C7 . 1.239(2) ?
O5 H5A . 0.8500 ?
O6 H6A . 0.8499 ?
O7 Sb1 2 2.0898(13) ?
O7 H7A . 0.8499 ?
O8 H8B . 0.8501 ?
O8 H8A . 0.8499 ?
O9 H9A . 0.8500 ?
O9 H9B . 0.8500 ?
O10 H10A . 0.8500 ?
O10 H10B . 0.8499 ?
O11 H11A . 0.8501 ?
O11 H11B . 0.8500 ?
N1 C6 . 1.334(3) ?
N1 C2 . 1.337(2) ?
N2 C14 . 1.338(3) ?
N2 C13 . 1.343(3) ?
N3 C17 . 1.342(3) ?
N3 C8 . 1.343(3) ?
N3 H3A . 0.8500 ?
C1 C2 . 1.513(3) ?
C2 C3 . 1.389(3) ?
C3 C4 . 1.390(3) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.389(3) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.390(3) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.516(3) ?
C8 C9 . 1.378(3) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.403(3) ?
C9 H9 . 0.9500 ?
C10 C16 . 1.400(3) ?
C10 C11 . 1.479(3) ?
C11 C12 . 1.395(3) ?
C11 C15 . 1.400(3) ?
C12 C13 . 1.385(3) ?
C12 H12 . 0.9500 ?
C13 H13 . 0.9500 ?
C14 C15 . 1.380(3) ?
C14 H14 . 0.9500 ?
C15 H15 . 0.9500 ?
C16 C17 . 1.383(3) ?
C16 H16 . 0.9500 ?
C17 H17 . 0.9500 ?
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
O5 H5A O10 1_455 0.85 2.13 2.949(2) 161.2
O6 H6A O10 2_655 0.85 1.94 2.783(2) 171.5
O7 H7A O8 1_554 0.85 1.91 2.760(2) 173.9
O8 H8B O11 2_556 0.85 2.22 2.997(2) 151.4
O8 H8B O3 2_556 0.85 2.61 3.067(2) 115.0
O8 H8A N2 . 0.85 1.93 2.751(2) 160.6
O9 H9A O1 2_665 0.85 1.91 2.749(2) 170.4
O9 H9B O6 . 0.85 1.88 2.731(2) 177.4
O10 H10A O11 2_656 0.85 2.03 2.867(2) 167.7
O10 H10B O9 . 0.85 1.87 2.722(2) 177.5
O11 H11A O4 . 0.85 1.95 2.793(2) 174.3
O11 H11B O8 . 0.85 1.99 2.830(2) 169.1
N3 H3A O6 1_565 0.85 1.91 2.760(2) 173.1
C13 H13 O1 1_556 0.95 2.30 3.205(3) 160
C15 H15 O5 1_555 0.95 2.23 3.107(3) 153
C17 H17 O5 2_565 0.95 2.23 3.137(3) 159
C5 H5 Cg1(N2/C11-C15) 2_666 0.95 2.89 3.596(2) 132
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O5 Sb1 O2 C1 . . 72.72(15)
O6 Sb1 O2 C1 . . -99.53(16)
O7 Sb1 O2 C1 2 . 159.97(14)
O7 Sb1 O2 C1 . . 170.56(16)
O3 Sb1 O2 C1 . . -16.93(19)
N1 Sb1 O2 C1 . . -13.85(15)
O5 Sb1 O3 C7 . . -85.43(15)
O6 Sb1 O3 C7 . . 88.99(15)
O7 Sb1 O3 C7 2 . -176.76(16)
O7 Sb1 O3 C7 . . 168.65(14)
O2 Sb1 O3 C7 . . 1.37(19)
N1 Sb1 O3 C7 . . -1.72(15)
O5 Sb1 O7 Sb1 . 2 -89.85(7)
O6 Sb1 O7 Sb1 . 2 91.76(7)
O7 Sb1 O7 Sb1 2 2 0.0
O2 Sb1 O7 Sb1 . 2 -173.45(8)
O3 Sb1 O7 Sb1 . 2 15.10(13)
N1 Sb1 O7 Sb1 . 2 179.31(7)
O5 Sb1 N1 C6 . . 94.99(15)
O6 Sb1 N1 C6 . . -81.97(15)
O7 Sb1 N1 C6 2 . 8.2(2)
O7 Sb1 N1 C6 . . -170.64(13)
O2 Sb1 N1 C6 . . -178.07(16)
O3 Sb1 N1 C6 . . -0.22(14)
O5 Sb1 N1 C2 . . -78.87(15)
O6 Sb1 N1 C2 . . 104.17(15)
O7 Sb1 N1 C2 2 . -165.64(13)
O7 Sb1 N1 C2 . . 15.5(2)
O2 Sb1 N1 C2 . . 8.06(14)
O3 Sb1 N1 C2 . . -174.08(16)
Sb1 O2 C1 O1 . . -161.95(18)
Sb1 O2 C1 C2 . . 17.1(2)
C6 N1 C2 C3 . . 2.3(3)
Sb1 N1 C2 C3 . . 176.18(15)
C6 N1 C2 C1 . . -176.70(17)
Sb1 N1 C2 C1 . . -2.9(2)
O1 C1 C2 N1 . . 170.32(19)
O2 C1 C2 N1 . . -8.8(3)
O1 C1 C2 C3 . . -8.7(3)
O2 C1 C2 C3 . . 172.2(2)
N1 C2 C3 C4 . . -0.7(3)
C1 C2 C3 C4 . . 178.22(19)
C2 C3 C4 C5 . . -1.2(3)
C3 C4 C5 C6 . . 1.6(3)
C2 N1 C6 C5 . . -2.0(3)
Sb1 N1 C6 C5 . . -175.71(14)
C2 N1 C6 C7 . . 175.42(17)
Sb1 N1 C6 C7 . . 1.7(2)
C4 C5 C6 N1 . . 0.0(3)
C4 C5 C6 C7 . . -177.06(19)
Sb1 O3 C7 O4 . . -178.17(16)
Sb1 O3 C7 C6 . . 3.1(2)
N1 C6 C7 O4 . . 178.14(18)
C5 C6 C7 O4 . . -4.6(3)
N1 C6 C7 O3 . . -3.1(3)
C5 C6 C7 O3 . . 174.24(19)
C17 N3 C8 C9 . . -0.7(3)
N3 C8 C9 C10 . . -1.0(3)
C8 C9 C10 C16 . . 1.8(3)
C8 C9 C10 C11 . . -177.30(19)
C16 C10 C11 C12 . . -147.0(2)
C9 C10 C11 C12 . . 32.1(3)
C16 C10 C11 C15 . . 31.2(3)
C9 C10 C11 C15 . . -149.8(2)
C15 C11 C12 C13 . . -0.9(3)
C10 C11 C12 C13 . . 177.34(19)
C14 N2 C13 C12 . . -0.6(3)
C11 C12 C13 N2 . . 1.3(3)
C13 N2 C14 C15 . . -0.6(3)
N2 C14 C15 C11 . . 1.0(3)
C12 C11 C15 C14 . . -0.2(3)
C10 C11 C15 C14 . . -178.46(19)
C9 C10 C16 C17 . . -1.0(3)
C11 C10 C16 C17 . . 178.12(19)
C8 N3 C17 C16 . . 1.5(3)
C10 C16 C17 N3 . . -0.6(3)
