#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:34:44 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179668 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/21/4512147.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_4512147
loop_
_publ_author_name
'Yang, Weiting'
'Tian, Wan-Guo'
'Liu, Xiao-Xiao'
'Wang, Lei'
'Sun, Zhong-Ming'
_publ_section_title
;
 Syntheses, Structures, Luminescence, and Photocatalytic Properties of a
 Series of Uranyl Coordination Polymers
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5904
_journal_paper_doi               10.1021/cg501118b
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C46 H33 N10 O14 U'
_chemical_formula_weight         1187.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.819(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.408(2)
_cell_length_b                   32.504(6)
_cell_length_c                   12.620(3)
_cell_measurement_temperature    296(2)
_cell_volume                     4669.2(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0563
_diffrn_reflns_av_sigmaI/netI    0.0617
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            29277
_diffrn_reflns_theta_full        26.06
_diffrn_reflns_theta_max         26.06
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    3.555
_exptl_absorpt_correction_T_max  0.5366
_exptl_absorpt_correction_T_min  0.4360
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2332
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.628
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     635
_refine_ls_number_reflns         9184
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0717P)²+16.6058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1264
_refine_ls_wR_factor_ref         0.1416
_reflns_number_gt                6818
_reflns_number_total             9184
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg501118b_si_002.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4512144--4512149.cif.
;
_cod_original_cell_volume        4669.2(15)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4512147
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
U1 U 0.83792(2) 0.129492(8) 0.58008(2) 0.02947(11) Uani 1 1 d .
O1 O 0.8291(5) 0.07533(18) 0.5616(5) 0.0486(15) Uani 1 1 d .
O2 O 0.8553(5) 0.18296(17) 0.5994(5) 0.0447(14) Uani 1 1 d .
O3 O 0.8602(5) 0.13728(18) 0.3952(4) 0.0436(14) Uani 1 1 d .
O4 O 0.7702(6) 0.09944(19) 0.2671(5) 0.0622(19) Uani 1 1 d .
O5 O 0.6534(5) 0.13749(17) 0.4929(4) 0.0406(13) Uani 1 1 d .
O6 O 0.5155(5) 0.18450(19) 0.5047(5) 0.0529(16) Uani 1 1 d .
O7 O 0.9412(5) 0.11687(19) -0.2575(4) 0.0449(14) Uani 1 1 d .
O8 O 1.0868(6) 0.1402(3) -0.1496(7) 0.103(3) Uani 1 1 d .
O9 O 0.6985(5) 0.12547(19) -0.2879(4) 0.0497(16) Uani 1 1 d .
O10 O 0.6888(7) 0.0929(2) -0.1354(5) 0.068(2) Uani 1 1 d .
O11 O 0.6820(5) 0.23716(16) 0.0547(4) 0.0463(14) Uani 1 1 d .
N1 N 1.0506(5) 0.12841(19) 0.5321(5) 0.0346(14) Uani 1 1 d .
N2 N 1.2003(5) 0.11316(19) 0.4369(5) 0.0324(14) Uani 1 1 d .
N3 N 1.4961(6) 0.02158(19) 0.1875(5) 0.0364(15) Uani 1 1 d .
N4 N 1.5727(6) -0.0298(2) 0.1018(6) 0.0477(18) Uani 1 1 d .
N5 N 1.1052(6) 0.68955(19) 0.7073(5) 0.0390(15) Uani 1 1 d .
H5 H 1.1316 0.6649 0.7162 0.047 Uiso 1 1 calc R
N6 N 1.0014(5) 0.74549(17) 0.7211(5) 0.0309(14) Uani 1 1 d .
N7 N 0.6123(7) 0.9000(2) 1.0017(6) 0.0503(19) Uani 1 1 d .
H7 H 0.6074 0.9204 1.0446 0.060 Uiso 1 1 calc R
N8 N 0.6841(6) 0.8524(2) 0.9050(5) 0.0365(15) Uani 1 1 d .
N9 N 0.6453(6) 0.8881(2) 0.2816(5) 0.0386(15) Uani 1 1 d .
N10 N 0.6114(5) 0.94341(18) 0.3719(5) 0.0328(14) Uani 1 1 d .
C1 C 0.7821(7) 0.1312(3) 0.3207(6) 0.0376(18) Uani 1 1 d .
C2 C 0.5947(7) 0.1692(2) 0.4589(6) 0.0351(17) Uani 1 1 d .
C3 C 0.6260(6) 0.1865(2) 0.3538(6) 0.0327(17) Uani 1 1 d .
C4 C 0.7061(6) 0.1679(2) 0.2882(6) 0.0304(16) Uani 1 1 d .
C5 C 0.7242(6) 0.1843(2) 0.1883(6) 0.0310(16) Uani 1 1 d .
H5A H 0.7754 0.1712 0.1449 0.037 Uiso 1 1 calc R
C6 C 0.6668(6) 0.2197(2) 0.1532(6) 0.0336(17) Uani 1 1 d .
C7 C 0.5861(7) 0.2386(2) 0.2153(7) 0.043(2) Uani 1 1 d .
H7A H 0.5470 0.2623 0.1921 0.052 Uiso 1 1 calc R
C8 C 0.5652(7) 0.2209(2) 0.3133(6) 0.0386(18) Uani 1 1 d .
H8 H 0.5083 0.2327 0.3533 0.046 Uiso 1 1 calc R
C9 C 0.9828(7) 0.1394(3) -0.1799(7) 0.046(2) Uani 1 1 d .
C10 C 0.7182(7) 0.1221(2) -0.1878(6) 0.0392(19) Uani 1 1 d .
C11 C 0.8980(7) 0.1656(2) -0.1245(6) 0.0356(17) Uani 1 1 d .
C12 C 0.7779(6) 0.1578(2) -0.1290(5) 0.0318(16) Uani 1 1 d .
C13 C 0.7064(7) 0.1833(2) -0.0693(6) 0.0346(17) Uani 1 1 d .
H13 H 0.6259 0.1785 -0.0713 0.042 Uiso 1 1 calc R
C14 C 0.7530(7) 0.2145(2) -0.0092(6) 0.0348(17) Uani 1 1 d .
C15 C 0.8719(7) 0.2226(2) -0.0048(6) 0.0407(19) Uani 1 1 d .
H15 H 0.9032 0.2445 0.0351 0.049 Uiso 1 1 calc R
C16 C 0.9439(7) 0.1974(2) -0.0611(6) 0.0405(19) Uani 1 1 d .
H16 H 1.0245 0.2019 -0.0563 0.049 Uiso 1 1 calc R
C17 C 1.0955(6) 0.1010(2) 0.4706(6) 0.0360(18) Uani 1 1 d .
H17 H 1.0596 0.0761 0.4521 0.043 Uiso 1 1 calc R
C18 C 1.1312(7) 0.1599(3) 0.5387(7) 0.045(2) Uani 1 1 d .
H18 H 1.1227 0.1840 0.5769 0.053 Uiso 1 1 calc R
C19 C 1.2234(7) 0.1512(3) 0.4831(7) 0.047(2) Uani 1 1 d .
H19 H 1.2898 0.1673 0.4765 0.057 Uiso 1 1 calc R
C20 C 1.2747(6) 0.0902(2) 0.3707(6) 0.0309(16) Uani 1 1 d .
C21 C 1.2276(7) 0.0597(3) 0.3005(7) 0.045(2) Uani 1 1 d .
H21 H 1.1472 0.0546 0.2951 0.054 Uiso 1 1 calc R
C22 C 1.3007(7) 0.0377(3) 0.2406(7) 0.044(2) Uani 1 1 d .
H22 H 1.2699 0.0175 0.1946 0.053 Uiso 1 1 calc R
C23 C 1.4201(6) 0.0452(2) 0.2478(6) 0.0319(16) Uani 1 1 d .
C24 C 1.4658(7) 0.0752(2) 0.3150(7) 0.0408(19) Uani 1 1 d .
H24 H 1.5462 0.0802 0.3194 0.049 Uiso 1 1 calc R
C25 C 1.3934(7) 0.0982(2) 0.3768(6) 0.0391(19) Uani 1 1 d .
H25 H 1.4248 0.1187 0.4215 0.047 Uiso 1 1 calc R
C26 C 1.4792(8) -0.0169(2) 0.1506(6) 0.0414(19) Uani 1 1 d .
H26 H 1.4116 -0.0324 0.1580 0.050 Uiso 1 1 calc R
C27 C 1.6528(8) 0.0017(3) 0.1068(7) 0.050(2) Uani 1 1 d .
H27 H 1.7256 0.0015 0.0777 0.060 Uiso 1 1 calc R
C28 C 1.6080(8) 0.0330(3) 0.1611(7) 0.051(2) Uani 1 1 d .
H28 H 1.6452 0.0579 0.1779 0.061 Uiso 1 1 calc R
C29 C 1.1409(7) 0.7177(2) 0.6358(6) 0.0415(19) Uani 1 1 d .
H29 H 1.1997 0.7134 0.5894 0.050 Uiso 1 1 calc R
C30 C 1.0780(7) 0.7529(2) 0.6426(6) 0.0411(19) Uani 1 1 d .
H30 H 1.0848 0.7768 0.6031 0.049 Uiso 1 1 calc R
C31 C 1.0237(7) 0.7068(2) 0.7593(6) 0.0370(18) Uani 1 1 d .
H31 H 0.9862 0.6946 0.8145 0.044 Uiso 1 1 calc R
C32 C 0.9188(6) 0.7738(2) 0.7640(6) 0.0326(16) Uani 1 1 d .
C33 C 0.9425(7) 0.8152(2) 0.7702(7) 0.0385(18) Uani 1 1 d .
H33 H 1.0103 0.8256 0.7429 0.046 Uiso 1 1 calc R
C34 C 0.8659(7) 0.8415(2) 0.8168(7) 0.0397(19) Uani 1 1 d .
H34 H 0.8817 0.8695 0.8210 0.048 Uiso 1 1 calc R
C35 C 0.7653(7) 0.8257(2) 0.8573(6) 0.0372(18) Uani 1 1 d .
C36 C 0.7407(8) 0.7840(2) 0.8501(7) 0.045(2) Uani 1 1 d .
H36 H 0.6729 0.7738 0.8775 0.054 Uiso 1 1 calc R
C37 C 0.8169(7) 0.7574(3) 0.8018(7) 0.044(2) Uani 1 1 d .
H37 H 0.8001 0.7295 0.7952 0.053 Uiso 1 1 calc R
C38 C 0.7096(8) 0.8841(3) 0.9705(7) 0.046(2) Uani 1 1 d .
H38 H 0.7850 0.8934 0.9906 0.055 Uiso 1 1 calc R
C39 C 0.5202(8) 0.8788(3) 0.9546(8) 0.049(2) Uani 1 1 d .
H39 H 0.4411 0.8840 0.9623 0.059 Uiso 1 1 calc R
C40 C 0.5646(8) 0.8488(3) 0.8944(8) 0.049(2) Uani 1 1 d .
H40 H 0.5219 0.8294 0.8536 0.059 Uiso 1 1 calc R
C41 C 0.7435(7) 0.9126(2) 0.2792(7) 0.0405(19) Uani 1 1 d .
H41 H 0.8115 0.9065 0.2455 0.049 Uiso 1 1 calc R
C42 C 0.7231(7) 0.9472(2) 0.3348(7) 0.0404(19) Uani 1 1 d .
H42 H 0.7741 0.9693 0.3461 0.049 Uiso 1 1 calc R
C43 C 0.5670(7) 0.9064(2) 0.3373(6) 0.0371(18) Uani 1 1 d .
H43 H 0.4936 0.8959 0.3509 0.045 Uiso 1 1 calc R
C44 C 0.5547(6) 0.9724(2) 0.4363(6) 0.0324(16) Uani 1 1 d .
C45 C 0.4344(7) 0.9704(2) 0.4434(7) 0.0389(19) Uani 1 1 d .
H45 H 0.3904 0.9506 0.4054 0.047 Uiso 1 1 calc R
C46 C 0.3799(7) 0.9981(2) 0.5073(7) 0.0392(19) Uani 1 1 d .
H46 H 0.2990 0.9968 0.5124 0.047 Uiso 1 1 calc R
O1W O 0.5913(9) 0.5301(3) 0.1748(8) 0.116(4) Uani 1 1 d .
O2W O 0.5090(17) 0.5275(4) 0.6974(13) 0.208(7) Uani 1 1 d .
O3W O 0.8567(13) 0.0799(5) 0.0545(12) 0.193(6) Uiso 1 1 d .
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'
U U -9.6767 9.6646 '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
O2 U1 O1 176.8(3) . .
O2 U1 O5 92.6(2) . .
O1 U1 O5 90.4(2) . .
O2 U1 O7 90.4(2) . 1_556
O1 U1 O7 87.8(2) . 1_556
O5 U1 O7 145.56(19) . 1_556
O2 U1 O3 90.7(2) . .
O1 U1 O3 89.2(2) . .
O5 U1 O3 71.10(18) . .
O7 U1 O3 143.19(19) 1_556 .
O2 U1 O9 91.8(2) . 1_556
O1 U1 O9 90.2(2) . 1_556
O5 U1 O9 73.23(19) . 1_556
O7 U1 O9 72.4(2) 1_556 1_556
O3 U1 O9 144.32(19) . 1_556
O2 U1 N1 86.9(2) . .
O1 U1 N1 90.1(2) . .
O5 U1 N1 137.60(19) . .
O7 U1 N1 76.8(2) 1_556 .
O3 U1 N1 66.51(19) . .
O9 U1 N1 149.2(2) 1_556 .
C1 O3 U1 126.6(5) . .
C2 O5 U1 133.0(5) . .
C9 O7 U1 135.1(6) . 1_554
C10 O9 U1 128.1(5) . 1_554
C6 O11 C14 114.5(6) . .
C17 N1 C18 104.8(6) . .
C17 N1 U1 124.6(5) . .
C18 N1 U1 128.4(5) . .
C17 N2 C19 106.0(6) . .
C17 N2 C20 126.8(6) . .
C19 N2 C20 127.1(6) . .
C26 N3 C28 106.2(7) . .
C26 N3 C23 127.7(7) . .
C28 N3 C23 126.0(7) . .
C26 N4 C27 107.1(7) . .
C31 N5 C29 107.4(6) . .
C31 N6 C30 107.5(6) . .
C31 N6 C32 124.3(6) . .
C30 N6 C32 128.0(6) . .
C38 N7 C39 108.3(7) . .
C38 N8 C40 107.5(7) . .
C38 N8 C35 127.2(7) . .
C40 N8 C35 125.2(7) . .
C43 N9 C41 109.3(7) . .
C43 N10 C42 107.4(6) . .
C43 N10 C44 126.2(6) . .
C42 N10 C44 126.4(6) . .
O4 C1 O3 125.6(7) . .
O4 C1 C4 118.0(7) . .
O3 C1 C4 116.0(7) . .
O6 C2 O5 123.9(7) . .
O6 C2 C3 119.6(8) . .
O5 C2 C3 116.4(7) . .
C8 C3 C4 117.1(7) . .
C8 C3 C2 118.8(7) . .
C4 C3 C2 123.9(7) . .
C5 C4 C3 120.4(7) . .
C5 C4 C1 115.3(6) . .
C3 C4 C1 124.2(7) . .
C6 C5 C4 120.8(7) . .
C5 C6 O11 122.9(7) . .
C5 C6 C7 120.2(7) . .
O11 C6 C7 116.8(7) . .
C6 C7 C8 118.4(7) . .
C3 C8 C7 122.8(7) . .
O8 C9 O7 123.4(8) . .
O8 C9 C11 119.1(8) . .
O7 C9 C11 117.5(7) . .
O10 C10 O9 124.7(8) . .
O10 C10 C12 117.6(7) . .
O9 C10 C12 117.7(7) . .
C16 C11 C12 119.5(7) . .
C16 C11 C9 117.6(7) . .
C12 C11 C9 122.8(7) . .
C11 C12 C13 118.2(7) . .
C11 C12 C10 124.7(7) . .
C13 C12 C10 116.9(7) . .
C14 C13 C12 121.2(7) . .
C13 C14 C15 120.9(7) . .
C13 C14 O11 119.9(7) . .
C15 C14 O11 119.0(7) . .
C14 C15 C16 118.7(7) . .
C11 C16 C15 121.4(7) . .
N1 C17 N2 112.1(7) . .
C19 C18 N1 111.0(7) . .
C18 C19 N2 106.0(7) . .
C25 C20 C21 120.0(7) . .
C25 C20 N2 119.1(6) . .
C21 C20 N2 120.9(7) . .
C22 C21 C20 119.6(7) . .
C21 C22 C23 120.5(7) . .
C24 C23 C22 119.9(7) . .
C24 C23 N3 119.7(7) . .
C22 C23 N3 120.3(7) . .
C23 C24 C25 120.9(7) . .
C20 C25 C24 119.0(7) . .
N4 C26 N3 110.6(7) . .
C28 C27 N4 108.3(8) . .
C27 C28 N3 107.8(8) . .
C30 C29 N5 109.9(7) . .
C29 C30 N6 105.1(7) . .
N5 C31 N6 110.0(7) . .
C33 C32 C37 121.3(7) . .
C33 C32 N6 120.8(7) . .
C37 C32 N6 117.8(7) . .
C32 C33 C34 120.1(7) . .
C33 C34 C35 119.4(7) . .
C36 C35 C34 120.5(7) . .
C36 C35 N8 119.1(7) . .
C34 C35 N8 120.4(7) . .
C35 C36 C37 120.4(8) . .
C32 C37 C36 118.2(7) . .
N7 C38 N8 109.6(7) . .
C40 C39 N7 107.6(8) . .
C39 C40 N8 106.9(8) . .
C42 C41 N9 107.5(7) . .
C41 C42 N10 107.1(7) . .
N9 C43 N10 108.6(7) . .
C46 C44 C45 120.2(7) 3_676 .
C46 C44 N10 120.1(7) 3_676 .
C45 C44 N10 119.6(7) . .
C44 C45 C46 119.6(7) . .
C44 C46 C45 120.2(7) 3_676 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 O2 1.764(6) .
U1 O1 1.778(6) .
U1 O5 2.324(5) .
U1 O7 2.332(5) 1_556
U1 O3 2.377(5) .
U1 O9 2.382(5) 1_556
U1 N1 2.540(6) .
O3 C1 1.267(9) .
O4 C1 1.236(10) .
O5 C2 1.286(9) .
O6 C2 1.212(9) .
O7 C9 1.288(10) .
O7 U1 2.332(5) 1_554
O8 C9 1.222(10) .
O9 C10 1.272(10) .
O9 U1 2.382(5) 1_554
O10 C10 1.216(10) .
O11 C6 1.388(9) .
O11 C14 1.391(9) .
N1 C17 1.309(9) .
N1 C18 1.374(10) .
N2 C17 1.354(9) .
N2 C19 1.383(10) .
N2 C20 1.439(9) .
N3 C26 1.345(9) .
N3 C28 1.392(11) .
N3 C23 1.418(9) .
N4 C26 1.334(10) .
N4 C27 1.373(11) .
N5 C31 1.301(10) .
N5 C29 1.366(10) .
N6 C31 1.364(9) .
N6 C30 1.384(10) .
N6 C32 1.448(9) .
N7 C38 1.309(11) .
N7 C39 1.360(12) .
N8 C38 1.341(11) .
N8 C40 1.365(10) .
N8 C35 1.432(10) .
N9 C43 1.317(10) .
N9 C41 1.377(10) .
N10 C43 1.365(9) .
N10 C42 1.392(10) .
N10 C44 1.428(9) .
C1 C4 1.515(10) .
C2 C3 1.506(10) .
C3 C8 1.395(11) .
C3 C4 1.410(10) .
C4 C5 1.397(10) .
C5 C6 1.382(10) .
C6 C7 1.391(10) .
C7 C8 1.398(11) .
C9 C11 1.498(11) .
C10 C12 1.514(11) .
C11 C16 1.388(11) .
C11 C12 1.391(10) .
C12 C13 1.415(10) .
C13 C14 1.355(11) .
C14 C15 1.379(11) .
C15 C16 1.389(11) .
C18 C19 1.333(11) .
C20 C25 1.376(10) .
C20 C21 1.412(10) .
C21 C22 1.363(11) .
C22 C23 1.381(11) .
C23 C24 1.371(10) .
C24 C25 1.391(11) .
C27 C28 1.346(12) .
C29 C30 1.355(11) .
C32 C33 1.376(10) .
C32 C37 1.391(11) .
C33 C34 1.381(11) .
C34 C35 1.385(11) .
C35 C36 1.384(11) .
C36 C37 1.395(11) .
C39 C40 1.356(12) .
C41 C42 1.354(11) .
C44 C46 1.383(10) 3_676
C44 C45 1.383(10) .
C45 C46 1.384(11) .
C46 C44 1.383(10) 3_676
