#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/18/8101804.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_8101804
loop_
_publ_author_name
'P. M. Haba'
'O. Diouf'
'M. Gaye'
'A. S. Sall'
'A. H. Barry'
'R. Weller'
'B. Chahrazed'
_publ_section_title
;
Crystal structure of dinitratobis(4-methyl-5-formylimidazolfuranoylhydrazone)
gadolinium(III) mononitrate, [Gd{(OC(C₄H3O)NHNCH(CH₃)C₃H₂N₂)
}₂(NO₃)₂][NO₃]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              401
_journal_page_last               402
_journal_volume                  220
_journal_year                    2005
_chemical_formula_moiety         'C20 H20 N11 O13 Gd'
_chemical_formula_structural
{Gd[(OC(C~4~H~3~O)NHNCH(CH~3~)C~3~H~2~N~2~))~2~](NO~3~)~2~}[NO~3~]
_chemical_formula_sum            'C20 H20 Gd N11 O13'
_chemical_formula_weight         779.72
_chemical_name_systematic
;
dinitratobis(4-methyl-5-formyl-imidazolfuranoylhydrazone)gadolinium(III) 
mononitrate
;
_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                109.0304(8)
_cell_angle_beta                 94.6800(7)
_cell_angle_gamma                96.1267(10)
_cell_formula_units_Z            2
_cell_length_a                   8.17320(10)
_cell_length_b                   10.8640(2)
_cell_length_c                   16.2532(3)
_cell_measurement_reflns_used    7757
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     1346.07(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       omega/phi
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_sigmaI/netI    0.0765
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17609
_diffrn_reflns_theta_full        30.04
_diffrn_reflns_theta_max         30.04
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    2.552
_exptl_absorpt_correction_T_max  0.7844
_exptl_absorpt_correction_T_min  0.7844
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.909
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             758
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.337
_refine_diff_density_min         -2.240
_refine_diff_density_rms         0.228
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    restr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         7840
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0659P)²+0.9152P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1324
_reflns_number_gt                6224
_reflns_number_total             7840
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1564.cff
_cod_data_source_block           barry12
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8101804
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.79313(3) 0.45533(2) 0.264076(14) 0.02104(9) Uani 1 2 i d . . .
O1 O 0.8907(4) 0.6550(3) 0.3944(2) 0.0241(7) Uani 1 2 i d . . .
O2 O 0.7141(5) 0.6349(4) 0.2127(3) 0.0357(9) Uani 1 2 i d . . .
O3 O 0.5090(5) 0.7431(4) 0.2583(3) 0.0500(12) Uani 1 2 i d . . .
O4 O 0.5451(4) 0.5688(4) 0.2903(2) 0.0337(8) Uani 1 2 i d . . .
O5 O 1.0589(4) 0.3952(3) 0.3105(2) 0.0302(8) Uani 1 2 i d . . .
O6 O 1.1195(5) 0.1959(4) 0.2700(3) 0.0488(11) Uani 1 2 i d . . .
O7 O 0.8700(4) 0.2336(3) 0.2395(2) 0.0312(8) Uani 1 2 i d . . .
O8 O 0.6059(4) 0.3440(3) 0.1248(2) 0.0267(7) Uani 1 2 i d . . .
O9 O 1.2238(5) 0.9183(4) 0.4988(3) 0.0434(10) Uani 1 2 i d . . .
O10 O 0.2813(7) 0.0739(5) 0.0050(3) 0.0688(15) Uani 1 2 i d . . .
O11 O 0.2783(5) 0.9545(4) 0.3006(3) 0.0452(10) Uani 1 2 i d . . .
O12 O 0.0675(6) 0.8693(4) 0.2001(3) 0.0474(11) Uani 1 2 i d . . .
O13 O 0.2880(8) 0.9661(5) 0.1694(4) 0.0729(17) Uani 1 2 i d . . .
N1 N 0.9468(5) 0.4014(4) 0.1270(3) 0.0262(8) Uani 1 2 i d . . .
N2 N 0.7259(5) 0.4225(4) 0.4089(3) 0.0241(8) Uani 1 2 i d . . .
N3 N 0.5410(5) 0.2780(4) 0.2577(3) 0.0235(8) Uani 1 2 i d . . .
N4 N 0.4585(5) 0.2048(4) 0.1769(3) 0.0277(9) Uani 1 2 i d . . .
H1 H 0.3846 0.1354 0.1685 0.033 Uiso 1 2 i calc . . .
N5 N 1.0539(5) 0.6240(4) 0.2625(3) 0.0234(8) Uani 1 2 i d . . .
N6 N 1.1023(5) 0.7323(4) 0.3345(3) 0.0244(8) Uani 1 2 i d . . .
H2 H 1.1839 0.7938 0.3370 0.029 Uiso 1 2 i calc . . .
N7 N 1.0527(7) 0.3220(6) 0.0009(3) 0.0506(14) Uani 1 2 i d . . .
H3 H 1.0676 0.2712 -0.0517 0.061 Uiso 1 2 i calc . . .
N8 N 0.6840(6) 0.4284(5) 0.5449(3) 0.0383(11) Uani 1 2 i d . . .
H4 H 0.6928 0.4520 0.6025 0.046 Uiso 1 2 i calc . . .
N9 N 1.0198(5) 0.2725(4) 0.2738(3) 0.0279(9) Uani 1 2 i d . . .
N10 N 0.5863(5) 0.6508(4) 0.2532(3) 0.0324(10) Uani 1 2 i d . . .
N11 N 0.2094(7) 0.9300(4) 0.2224(3) 0.0396(11) Uani 1 2 i d . . .
C1 C 0.7754(6) 0.4854(5) 0.4967(3) 0.0253(10) Uani 1 2 i d . . .
H5 H 0.8610 0.5581 0.5206 0.030 Uiso 1 2 i calc . . .
C2 C 0.5760(5) 0.3271(4) 0.4858(3) 0.0148(8) Uani 1 2 i d . . .
C3 C 0.4519(6) 0.2409(5) 0.5083(4) 0.0330(11) Uani 1 2 i d . . .
H6 H 0.4996 0.2177 0.5576 0.040 Uiso 1 2 i calc R . .
H7 H 0.4167 0.1607 0.4576 0.040 Uiso 1 2 i calc R . .
H8 H 0.3560 0.2862 0.5248 0.040 Uiso 1 2 i calc R . .
C4 C 1.0141(6) 0.7375(5) 0.4019(3) 0.0222(9) Uani 1 2 i d . . .
C5 C 1.1374(6) 0.6031(5) 0.1968(3) 0.0266(10) Uani 1 2 i d . . .
H9 H 1.2300 0.6629 0.1954 0.032 Uiso 1 2 i calc . . .
C6 C 1.0742(6) 0.8416(5) 0.4856(3) 0.0263(10) Uani 1 2 i d . . .
C7 C 0.4110(6) 0.1718(5) 0.0249(3) 0.0288(10) Uani 1 2 i d . . .
C8 C 0.5082(6) 0.2439(5) 0.3236(3) 0.0255(10) Uani 1 2 i d . . .
H10 H 0.4288 0.1708 0.3192 0.031 Uiso 1 2 i calc . . .
C9 C 1.0802(6) 0.4828(5) 0.1255(3) 0.0255(10) Uani 1 2 i d . . .
C10 C 1.1480(5) 0.4375(4) 0.0498(3) 0.0181(8) Uani 1 2 i d . . .
C11 C 1.2985(7) 0.4962(6) 0.0265(4) 0.0380(13) Uani 1 2 i d . . .
H11 H 1.3013 0.4585 -0.0369 0.046 Uiso 1 2 i calc R . .
H12 H 1.3958 0.4781 0.0577 0.046 Uiso 1 2 i calc R . .
H13 H 1.2995 0.5915 0.0431 0.046 Uiso 1 2 i calc R . .
C12 C 0.2486(9) 0.0372(6) -0.0901(5) 0.061(2) Uani 1 2 i d . . .
H14 H 0.1649 -0.0294 -0.1276 0.073 Uiso 1 2 i calc . . .
C13 C 0.3566(11) 0.1137(9) -0.1143(5) 0.067(2) Uani 1 2 i d . . .
H15 H 0.3631 0.1096 -0.1732 0.080 Uiso 1 2 i calc . . .
C14 C 1.1148(9) 0.9658(7) 0.6240(4) 0.0473(16) Uani 1 2 i d . . .
H16 H 1.0989 1.0054 0.6837 0.057 Uiso 1 2 i calc . . .
C15 C 1.0049(6) 0.8660(6) 0.5604(4) 0.0346(12) Uani 1 2 i d . . .
H17 H 0.9023 0.8241 0.5685 0.042 Uiso 1 2 i calc . . .
C16 C 0.4988(5) 0.2469(5) 0.1119(3) 0.0239(9) Uani 1 2 i d . . .
C17 C 0.6041(5) 0.3277(5) 0.4058(3) 0.0230(9) Uani 1 2 i d . . .
C18 C 0.4577(6) 0.1995(5) -0.0434(3) 0.0272(10) Uani 1 2 i d . . .
H18 H 0.5440 0.2655 -0.0433 0.033 Uiso 1 2 i calc . . .
C19 C 0.9292(7) 0.2997(5) 0.0487(3) 0.0323(11) Uani 1 2 i d . . .
H19 H 0.8450 0.2256 0.0305 0.039 Uiso 1 2 i calc . . .
C20 C 1.2447(8) 0.9957(6) 0.5869(4) 0.0434(15) Uani 1 2 i d . . .
H20 H 1.3377 1.0600 0.6161 0.052 Uiso 1 2 i calc . . .
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'
Pr Pr -0.2180 2.8214 '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
O5 Gd1 O7 51.59(11) . . ?
O5 Gd1 O4 153.76(13) . . ?
O7 Gd1 O4 138.90(12) . . ?
O5 Gd1 O2 134.34(12) . . ?
O7 Gd1 O2 152.75(13) . . ?
O4 Gd1 O2 51.68(12) . . ?
O5 Gd1 O8 127.84(12) . . ?
O7 Gd1 O8 83.70(11) . . ?
O4 Gd1 O8 77.40(12) . . ?
O2 Gd1 O8 74.57(12) . . ?
O5 Gd1 O1 80.98(11) . . ?
O7 Gd1 O1 126.43(11) . . ?
O4 Gd1 O1 75.98(11) . . ?
O2 Gd1 O1 77.48(12) . . ?
O8 Gd1 O1 149.58(11) . . ?
O5 Gd1 N1 75.05(12) . . ?
O7 Gd1 N1 73.75(13) . . ?
O4 Gd1 N1 128.12(12) . . ?
O2 Gd1 N1 82.55(13) . . ?
O8 Gd1 N1 66.68(12) . . ?
O1 Gd1 N1 121.19(12) . . ?
O5 Gd1 N2 80.36(12) . . ?
O7 Gd1 N2 79.90(12) . . ?
O4 Gd1 N2 79.35(12) . . ?
O2 Gd1 N2 125.46(13) . . ?
O8 Gd1 N2 121.16(11) . . ?
O1 Gd1 N2 67.54(11) . . ?
N1 Gd1 N2 151.57(13) . . ?
O5 Gd1 N3 111.62(12) . . ?
O7 Gd1 N3 66.53(12) . . ?
O4 Gd1 N3 72.41(12) . . ?
O2 Gd1 N3 113.87(12) . . ?
O8 Gd1 N3 59.98(11) . . ?
O1 Gd1 N3 123.63(11) . . ?
N1 Gd1 N3 115.09(13) . . ?
N2 Gd1 N3 61.62(12) . . ?
O5 Gd1 N5 67.11(12) . . ?
O7 Gd1 N5 110.91(12) . . ?
O4 Gd1 N5 110.19(12) . . ?
O2 Gd1 N5 67.25(12) . . ?
O8 Gd1 N5 118.03(11) . . ?
O1 Gd1 N5 59.59(11) . . ?
N1 Gd1 N5 61.64(12) . . ?
N2 Gd1 N5 120.65(12) . . ?
N3 Gd1 N5 176.60(11) . . ?
O5 Gd1 N9 25.76(11) . . ?
O7 Gd1 N9 25.92(11) . . ?
O4 Gd1 N9 157.97(12) . . ?
O2 Gd1 N9 150.35(12) . . ?
O8 Gd1 N9 105.48(12) . . ?
O1 Gd1 N9 104.73(12) . . ?
N1 Gd1 N9 70.96(12) . . ?
N2 Gd1 N9 80.69(12) . . ?
N3 Gd1 N9 89.91(12) . . ?
N5 Gd1 N9 88.05(12) . . ?
O5 Gd1 N10 150.92(12) . . ?
O7 Gd1 N10 157.47(11) . . ?
O4 Gd1 N10 25.72(13) . . ?
O2 Gd1 N10 26.09(13) . . ?
O8 Gd1 N10 76.24(12) . . ?
O1 Gd1 N10 73.39(11) . . ?
N1 Gd1 N10 106.71(14) . . ?
N2 Gd1 N10 101.71(14) . . ?
N3 Gd1 N10 94.18(12) . . ?
N5 Gd1 N10 87.84(12) . . ?
N9 Gd1 N10 175.88(11) . . ?
C4 O1 Gd1 125.7(3) . . ?
N10 O2 Gd1 95.1(3) . . ?
N10 O4 Gd1 95.7(3) . . ?
N9 O5 Gd1 96.3(3) . . ?
N9 O7 Gd1 95.9(3) . . ?
C16 O8 Gd1 124.5(3) . . ?
C6 O9 C20 105.2(4) . . ?
C7 O10 C12 102.0(5) . . ?
C9 N1 C19 105.6(4) . . ?
C9 N1 Gd1 119.4(3) . . ?
C19 N1 Gd1 135.0(3) . . ?
C17 N2 C1 104.4(4) . . ?
C17 N2 Gd1 118.8(3) . . ?
C1 N2 Gd1 136.6(3) . . ?
C8 N3 N4 118.4(4) . . ?
C8 N3 Gd1 123.3(3) . . ?
N4 N3 Gd1 117.5(3) . . ?
C16 N4 N3 114.7(4) . . ?
C16 N4 H1 122.7 . . ?
N3 N4 H1 122.7 . . ?
C5 N5 N6 119.4(4) . . ?
C5 N5 Gd1 121.8(3) . . ?
N6 N5 Gd1 118.7(3) . . ?
C4 N6 N5 113.9(4) . . ?
C4 N6 H2 123.1 . . ?
N5 N6 H2 123.1 . . ?
C10 N7 C19 107.3(5) . . ?
C10 N7 H3 126.3 . . ?
C19 N7 H3 126.3 . . ?
C1 N8 C2 106.3(4) . . ?
C1 N8 H4 126.9 . . ?
C2 N8 H4 126.9 . . ?
O6 N9 O5 122.4(4) . . ?
O6 N9 O7 121.7(4) . . ?
O5 N9 O7 115.8(4) . . ?
O6 N9 Gd1 173.6(4) . . ?
O5 N9 Gd1 58.0(2) . . ?
O7 N9 Gd1 58.2(2) . . ?
O3 N10 O4 120.9(5) . . ?
O3 N10 O2 122.2(5) . . ?
O4 N10 O2 116.9(4) . . ?
O3 N10 Gd1 172.2(4) . . ?
O4 N10 Gd1 58.5(2) . . ?
O2 N10 Gd1 58.8(2) . . ?
O12 N11 O13 121.1(6) . . ?
O12 N11 O11 119.4(5) . . ?
O13 N11 O11 119.4(5) . . ?
N8 C1 N2 110.3(4) . . ?
N8 C1 H5 124.9 . . ?
N2 C1 H5 124.9 . . ?
C17 C2 N8 106.7(4) . . ?
C17 C2 C3 128.0(4) . . ?
N8 C2 C3 125.2(4) . . ?
C2 C3 H6 109.5 . . ?
C2 C3 H7 109.5 . . ?
H6 C3 H7 109.5 . . ?
C2 C3 H8 109.5 . . ?
H6 C3 H8 109.5 . . ?
H7 C3 H8 109.5 . . ?
O1 C4 N6 121.9(4) . . ?
O1 C4 C6 121.3(4) . . ?
N6 C4 C6 116.8(4) . . ?
N5 C5 C9 115.0(4) . . ?
N5 C5 H9 122.5 . . ?
C9 C5 H9 122.5 . . ?
C15 C6 O9 111.0(5) . . ?
C15 C6 C4 126.8(5) . . ?
O9 C6 C4 121.8(4) . . ?
C18 C7 O10 114.1(5) . . ?
C18 C7 C16 118.9(5) . . ?
O10 C7 C16 127.0(5) . . ?
N3 C8 C17 113.6(4) . . ?
N3 C8 H10 123.2 . . ?
C17 C8 H10 123.2 . . ?
N1 C9 C10 111.5(4) . . ?
N1 C9 C5 122.0(4) . . ?
C10 C9 C5 126.5(5) . . ?
C9 C10 N7 106.5(4) . . ?
C9 C10 C11 127.2(5) . . ?
N7 C10 C11 126.2(4) . . ?
C10 C11 H11 109.5 . . ?
C10 C11 H12 109.5 . . ?
H11 C11 H12 109.5 . . ?
C10 C11 H13 109.5 . . ?
H11 C11 H13 109.5 . . ?
H12 C11 H13 109.5 . . ?
C13 C12 O10 107.3(5) . . ?
C13 C12 H14 126.3 . . ?
O10 C12 H14 126.3 . . ?
C12 C13 C18 110.9(6) . . ?
C12 C13 H15 124.6 . . ?
C18 C13 H15 124.6 . . ?
C20 C14 C15 108.5(5) . . ?
C20 C14 H16 125.8 . . ?
C15 C14 H16 125.8 . . ?
C6 C15 C14 105.9(5) . . ?
C6 C15 H17 127.1 . . ?
C14 C15 H17 127.1 . . ?
O8 C16 N4 121.8(4) . . ?
O8 C16 C7 122.2(4) . . ?
N4 C16 C7 116.0(4) . . ?
N2 C17 C2 112.4(4) . . ?
N2 C17 C8 121.9(4) . . ?
C2 C17 C8 125.6(4) . . ?
C7 C18 C13 105.7(5) . . ?
C7 C18 H18 127.2 . . ?
C13 C18 H18 127.2 . . ?
N1 C19 N7 109.0(5) . . ?
N1 C19 H19 125.5 . . ?
N7 C19 H19 125.5 . . ?
C14 C20 O9 109.5(5) . . ?
C14 C20 H20 125.3 . . ?
O9 C20 H20 125.3 . . ?
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
Gd1 O5 2.464(3) . y
Gd1 O7 2.469(4) . y
Gd1 O4 2.479(4) . y
Gd1 O2 2.483(4) . y
Gd1 O8 2.487(3) . y
Gd1 O1 2.488(3) . y
Gd1 N1 2.578(4) . y
Gd1 N2 2.586(4) . y
Gd1 N3 2.638(4) . y
Gd1 N5 2.665(4) . y
Gd1 N9 2.889(4) . y
Gd1 N10 2.891(4) . y
O1 C4 1.245(5) . y
O2 N10 1.277(6) . y
O3 N10 1.225(6) . y
O4 N10 1.261(6) . y
O5 N9 1.263(5) . y
O6 N9 1.216(6) . y
O7 N9 1.270(5) . y
O8 C16 1.245(5) . y
O9 C6 1.364(6) . y
O9 C20 1.390(7) . y
O10 C7 1.356(7) . y
O10 C12 1.458(9) . y
O11 N11 1.278(7) . y
O12 N11 1.235(6) . y
O13 N11 1.252(6) . y
N1 C9 1.335(6) . y
N1 C19 1.371(6) . y
N2 C17 1.339(6) . y
N2 C1 1.370(6) . y
N3 C8 1.281(6) . y
N3 N4 1.368(5) . y
N4 C16 1.331(6) . y
N4 H1 0.8800 . y
N5 C5 1.286(6) . y
N5 N6 1.356(5) . y
N6 C4 1.349(6) . y
N6 H2 0.8800 . y
N7 C10 1.361(7) . y
N7 C19 1.372(7) . y
N7 H3 0.8800 . y
N8 C1 1.368(6) . y
N8 C2 1.370(6) . y
N8 H4 0.8800 . y
C1 H5 0.9500 . y
C2 C17 1.341(6) . y
C2 C3 1.456(6) . y
C3 H6 0.9800 . y
C3 H7 0.9800 . y
C3 H8 0.9800 . y
C4 C6 1.463(7) . y
C5 C9 1.436(7) . y
C5 H9 0.9500 . y
C6 C15 1.343(7) . y
C7 C18 1.315(7) . y
C7 C16 1.463(6) . y
C8 C17 1.452(6) . y
C8 H10 0.9500 . y
C9 C10 1.356(6) . y
C10 C11 1.459(7) . y
C11 H11 0.9800 . y
C11 H12 0.9800 . y
C11 H13 0.9800 . y
C12 C13 1.318(11) . y
C12 H14 0.9500 . y
C13 C18 1.364(10) . y
C13 H15 0.9500 . y
C14 C20 1.324(9) . y
C14 C15 1.401(9) . y
C14 H16 0.9500 . y
C15 H17 0.9500 . y
C18 H18 0.9500 . y
C19 H19 0.9500 . y
C20 H20 0.9500 . y
