#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:20:07 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229066 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/02/7230232.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_7230232
loop_
_publ_author_name
'An, Yan-Yan'
'Lu, Li-Ping'
'Feng, Si-Si'
'Zhu, Miao-Li'
_publ_section_title
;
 Efficient pure white light emission based on a three-component
 La:Eu,Tb-doped luminescent lanthanide metal--organic framework
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              2043
_journal_paper_doi               10.1039/C8CE00008E
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety
'[Nd2(C16H9O7)2(C3H7ON)1.2(H2O)1.4(CHOOH)1.4]??3.6H2O'
_chemical_formula_sum            'C37 H39.2 N1.2 Nd2 O23'
_chemical_formula_weight         1157.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-02-11 deposited with the CCDC.
2018-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.985(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.560(2)
_cell_length_b                   14.3583(11)
_cell_length_c                   13.7162(11)
_cell_measurement_reflns_used    9759
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.04
_cell_measurement_theta_min      2.59
_cell_volume                     5570.1(7)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0693
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            56284
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.494
_diffrn_reflns_theta_min         2.584
_exptl_absorpt_coefficient_mu    1.912
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_description       block
_exptl_crystal_F_000             2294
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.350
_refine_diff_density_min         -0.672
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5711
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0482P)²+50.4587P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1057
_refine_ls_wR_factor_ref         0.1138
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4440
_reflns_number_total             5711
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00008e2.cif
_cod_data_source_block           9R-Nd-RT2
_cod_depositor_comments
'Adding full bibliography for 7230226--7230238.cif.'
_cod_original_cell_volume        5570.2(8)
_cod_original_formula_sum        'C37 H39.20 N1.20 Nd2 O23'
_cod_database_code               7230232
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.910
_shelx_estimated_absorpt_t_max   0.910
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.68253(2) 0.20905(2) 0.46010(2) 0.01972(10) Uani 1 1 d . . . . .
O1 O 0.73180(14) 0.3369(3) 0.4467(3) 0.0356(10) Uani 1 1 d . . . . .
O2 O 0.79369(15) 0.4244(3) 0.4341(4) 0.0436(11) Uani 1 1 d . . . . .
O3 O 0.76559(14) 0.6492(3) 0.1462(3) 0.0414(11) Uani 1 1 d . . . . .
O4 O 0.69560(15) 0.7218(3) 0.1183(3) 0.0385(10) Uani 1 1 d . . . . .
O5 O 0.57735(17) 0.6441(4) 0.3509(4) 0.0629(15) Uani 1 1 d . U . . .
O6 O 0.39170(16) 0.8231(3) 0.4779(4) 0.0494(12) Uani 1 1 d . . . . .
O7 O 0.38260(16) 0.6793(4) 0.5255(4) 0.0530(13) Uani 1 1 d . . . . .
C1 C 0.7179(2) 0.4794(4) 0.3591(5) 0.0327(13) Uani 1 1 d . . . . .
C2 C 0.6711(2) 0.4841(4) 0.3725(5) 0.0376(15) Uani 1 1 d . . . . .
H2 H 0.659523 0.444577 0.417273 0.045 Uiso 1 1 calc R U . . .
C3 C 0.6409(2) 0.5481(4) 0.3191(5) 0.0375(15) Uani 1 1 d . . . . .
C4 C 0.6580(2) 0.6053(4) 0.2505(5) 0.0360(14) Uani 1 1 d . . . . .
H4 H 0.637733 0.646515 0.213183 0.043 Uiso 1 1 calc R U . . .
C5 C 0.7054(2) 0.6010(4) 0.2373(4) 0.0311(13) Uani 1 1 d . . . . .
C6 C 0.7353(2) 0.5392(4) 0.2924(4) 0.0342(14) Uani 1 1 d . . . . .
H6 H 0.767185 0.537520 0.285025 0.041 Uiso 1 1 calc R U . . .
C7 C 0.7499(2) 0.4095(4) 0.4162(5) 0.0333(14) Uani 1 1 d . . . . .
C8 C 0.7237(2) 0.6626(4) 0.1607(4) 0.0315(13) Uani 1 1 d . . . . .
C9 C 0.5895(2) 0.5509(5) 0.3342(6) 0.0458(17) Uani 1 1 d . U . . .
H9A H 0.569743 0.526893 0.276435 0.055 Uiso 1 1 calc R U . . .
H9B H 0.584594 0.512698 0.390281 0.055 Uiso 1 1 calc R U . . .
C10 C 0.5342(2) 0.6616(5) 0.3813(6) 0.053(2) Uani 1 1 d . . . . .
C11 C 0.5230(3) 0.7524(6) 0.3891(7) 0.072(2) Uani 1 1 d . U . . .
H11 H 0.543453 0.797847 0.371245 0.086 Uiso 1 1 calc R U . . .
C12 C 0.4812(3) 0.7792(6) 0.4237(7) 0.070(2) Uani 1 1 d . U . . .
H12 H 0.474349 0.842045 0.430226 0.084 Uiso 1 1 calc R U . . .
C13 C 0.4501(2) 0.7125(5) 0.4481(5) 0.0450(17) Uani 1 1 d . . . . .
C14 C 0.4611(2) 0.6206(5) 0.4361(6) 0.0491(18) Uani 1 1 d . . . . .
H14 H 0.440179 0.574922 0.451392 0.059 Uiso 1 1 calc R U . . .
C15 C 0.5027(2) 0.5941(5) 0.4018(6) 0.0477(18) Uani 1 1 d . . . . .
H15 H 0.509187 0.531469 0.392737 0.057 Uiso 1 1 calc R U . . .
C16 C 0.4056(2) 0.7402(5) 0.4855(5) 0.0395(15) Uani 1 1 d . . . . .
O8 O 0.6537(2) 0.2667(5) 0.2949(4) 0.0756(18) Uani 0.6 1 d . . P A 1
N1 N 0.6557(6) 0.2843(12) 0.1312(11) 0.107(5) Uani 0.6 1 d D U P A 1
C17 C 0.6609(6) 0.2390(13) 0.2165(11) 0.078(4) Uani 0.6 1 d . U P A 1
H17 H 0.671507 0.177921 0.214750 0.093 Uiso 0.6 1 calc R U P A 1
C18 C 0.6547(13) 0.222(2) 0.037(2) 0.213(15) Uani 0.6 1 d D U P A 1
H18A H 0.638900 0.164399 0.046589 0.320 Uiso 0.6 1 d R U P A 1
H18B H 0.686509 0.209325 0.025548 0.320 Uiso 0.6 1 d R U P A 1
H18C H 0.638146 0.254108 -0.018759 0.320 Uiso 0.6 1 d R U P A 1
C19 C 0.6345(8) 0.3764(14) 0.1212(17) 0.137(8) Uani 0.6 1 d D U P A 1
H19A H 0.604127 0.373563 0.143349 0.205 Uiso 0.6 1 d R U P A 1
H19B H 0.630752 0.395106 0.053376 0.205 Uiso 0.6 1 d R U P A 1
H19C H 0.654067 0.420867 0.160241 0.205 Uiso 0.6 1 d R U P A 1
O9 O 0.6449(2) 0.0779(4) 0.3717(4) 0.0731(17) Uani 0.7 1 d D U P A 1
C20 C 0.6583(4) -0.0008(6) 0.3590(8) 0.060(3) Uani 0.7 1 d D U P A 1
H20 H 0.685038 -0.020921 0.399974 0.072 Uiso 0.7 1 calc R U P A 1
O10 O 0.6390(4) -0.0595(8) 0.2942(8) 0.111(4) Uani 0.7 1 d D U P A 1
O8A O 0.6537(2) 0.2667(5) 0.2949(4) 0.0756(18) Uani 0.4 1 d . . P A 2
O9A O 0.6449(2) 0.0779(4) 0.3717(4) 0.0731(17) Uani 0.3 1 d . . P A 2
O11 O 0.6569(7) -0.1500(14) 0.2883(14) 0.069(5) Uiso 0.3 1 d . . P B 2
O12 O 0.4426(6) 0.0040(13) 0.5223(13) 0.282(8) Uiso 1 1 d . . . . .
O13 O 0.500000 0.767(2) 0.750000 0.351(16) Uiso 1 2 d S . P . .
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'
Nd Nd -0.1943 3.0179 '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
O1 Nd1 O4 73.90(15) . 6_566
O1 Nd1 O3 78.59(15) . 4_645
O4 Nd1 O3 132.89(15) 6_566 4_645
O1 Nd1 O9 143.70(18) . .
O4 Nd1 O9 142.27(17) 6_566 .
O3 Nd1 O9 71.45(17) 4_645 .
O1 Nd1 O9A 143.70(18) . .
O4 Nd1 O9A 142.27(17) 6_566 .
O3 Nd1 O9A 71.45(17) 4_645 .
O1 Nd1 O6 137.70(15) . 5_666
O4 Nd1 O6 78.09(16) 6_566 5_666
O3 Nd1 O6 142.38(16) 4_645 5_666
O9 Nd1 O6 71.25(18) . 5_666
O1 Nd1 O2 122.85(14) . 7_656
O4 Nd1 O2 77.81(16) 6_566 7_656
O3 Nd1 O2 86.30(16) 4_645 7_656
O9 Nd1 O2 75.7(2) . 7_656
O6 Nd1 O2 80.08(15) 5_666 7_656
O1 Nd1 O8 77.9(2) . .
O4 Nd1 O8 134.21(18) 6_566 .
O3 Nd1 O8 73.30(18) 4_645 .
O9 Nd1 O8 74.3(2) . .
O6 Nd1 O8 100.9(2) 5_666 .
O2 Nd1 O8 147.80(19) 7_656 .
O1 Nd1 O8A 77.9(2) . .
O4 Nd1 O8A 134.21(18) 6_566 .
O3 Nd1 O8A 73.30(18) 4_645 .
O9A Nd1 O8A 74.3(2) . .
O6 Nd1 O8A 100.9(2) 5_666 .
O2 Nd1 O8A 147.80(19) 7_656 .
O1 Nd1 O7 88.00(15) . 5_666
O4 Nd1 O7 71.39(17) 6_566 5_666
O3 Nd1 O7 144.97(16) 4_645 5_666
O9 Nd1 O7 104.94(19) . 5_666
O6 Nd1 O7 52.90(15) 5_666 5_666
O2 Nd1 O7 127.48(15) 7_656 5_666
O8 Nd1 O7 72.29(18) . 5_666
O1 Nd1 O1 73.18(15) . 7_656
O4 Nd1 O1 69.44(14) 6_566 7_656
O3 Nd1 O1 66.33(14) 4_645 7_656
O9 Nd1 O1 111.20(18) . 7_656
O6 Nd1 O1 124.63(15) 5_666 7_656
O2 Nd1 O1 50.49(13) 7_656 7_656
O8 Nd1 O1 133.85(18) . 7_656
O7 Nd1 O1 139.86(16) 5_666 7_656
O1 Nd1 C16 112.80(17) . 5_666
O4 Nd1 C16 71.45(18) 6_566 5_666
O3 Nd1 C16 155.61(18) 4_645 5_666
O9 Nd1 C16 89.0(2) . 5_666
O9A Nd1 C16 89.0(2) . 5_666
O6 Nd1 C16 26.36(17) 5_666 5_666
O2 Nd1 C16 103.32(17) 7_656 5_666
O8 Nd1 C16 87.7(2) . 5_666
O8A Nd1 C16 87.7(2) . 5_666
O7 Nd1 C16 26.62(17) 5_666 5_666
O1 Nd1 C16 136.62(16) 7_656 5_666
C7 O1 Nd1 162.8(4) . .
C7 O1 Nd1 88.4(4) . 7_656
Nd1 O1 Nd1 106.82(15) . 7_656
C7 O2 Nd1 99.7(4) . 7_656
C8 O3 Nd1 136.9(4) . 4_655
C8 O4 Nd1 135.8(4) . 6_565
C10 O5 C9 118.3(5) . .
C16 O6 Nd1 94.1(4) . 5_666
C16 O7 Nd1 91.6(4) . 5_666
C2 C1 C6 119.9(6) . .
C2 C1 C7 119.7(5) . .
C6 C1 C7 120.4(5) . .
C1 C2 C3 120.2(5) . .
C1 C2 H2 119.9 . .
C3 C2 H2 119.9 . .
C4 C3 C2 119.8(5) . .
C4 C3 C9 121.1(6) . .
C2 C3 C9 119.0(6) . .
C3 C4 C5 120.1(6) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6 C5 C4 119.8(5) . .
C6 C5 C8 120.3(5) . .
C4 C5 C8 119.9(5) . .
C5 C6 C1 120.3(5) . .
C5 C6 H6 119.9 . .
C1 C6 H6 119.9 . .
O2 C7 O1 121.2(6) . .
O2 C7 C1 120.3(5) . .
O1 C7 C1 118.5(5) . .
O2 C7 Nd1 55.2(3) . 7_656
O1 C7 Nd1 66.1(3) . 7_656
C1 C7 Nd1 173.6(4) . 7_656
O4 C8 O3 126.4(5) . .
O4 C8 C5 117.1(5) . .
O3 C8 C5 116.6(5) . .
O5 C9 C3 108.2(5) . .
O5 C9 H9A 110.1 . .
C3 C9 H9A 110.1 . .
O5 C9 H9B 110.1 . .
C3 C9 H9B 110.1 . .
H9A C9 H9B 108.4 . .
C11 C10 O5 115.6(6) . .
C11 C10 C15 119.7(6) . .
O5 C10 C15 124.7(6) . .
C10 C11 C12 121.0(7) . .
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 . .
C13 C12 C11 120.0(7) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C14 C13 C12 118.3(6) . .
C14 C13 C16 121.3(6) . .
C12 C13 C16 120.5(6) . .
C13 C14 C15 121.6(6) . .
C13 C14 H14 119.2 . .
C15 C14 H14 119.2 . .
C10 C15 C14 119.3(6) . .
C10 C15 H15 120.3 . .
C14 C15 H15 120.3 . .
O6 C16 O7 121.1(6) . .
O6 C16 C13 120.0(6) . .
O7 C16 C13 118.9(6) . .
O6 C16 Nd1 59.5(3) . 5_666
O7 C16 Nd1 61.8(3) . 5_666
C13 C16 Nd1 175.1(5) . 5_666
C17 O8 Nd1 130.2(9) . .
C17 N1 C19 121.5(17) . .
C17 N1 C18 115.7(19) . .
C19 N1 C18 118.8(19) . .
O8 C17 N1 128.3(16) . .
O8 C17 H17 115.9 . .
N1 C17 H17 115.8 . .
N1 C18 H18A 109.4 . .
N1 C18 H18B 109.6 . .
H18A C18 H18B 109.5 . .
N1 C18 H18C 109.4 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N1 C19 H19A 108.2 . .
N1 C19 H19B 109.6 . .
H19A C19 H19B 109.5 . .
N1 C19 H19C 110.6 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C20 O9 Nd1 132.3(7) . .
O9 C20 O10 126.5(12) . .
O9 C20 H20 116.8 . .
O10 C20 H20 116.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O1 2.335(4) .
Nd1 O4 2.369(4) 6_566
Nd1 O3 2.379(4) 4_645
Nd1 O9 2.410(5) .
Nd1 O9A 2.410(5) .
Nd1 O6 2.435(4) 5_666
Nd1 O2 2.443(4) 7_656
Nd1 O8 2.446(6) .
Nd1 O8A 2.446(6) .
Nd1 O7 2.485(5) 5_666
Nd1 O1 2.681(4) 7_656
Nd1 C16 2.818(6) 5_666
O1 C7 1.262(7) .
O2 C7 1.258(7) .
O3 C8 1.255(7) .
O4 C8 1.255(7) .
O5 C10 1.377(7) .
O5 C9 1.408(8) .
O6 C16 1.254(8) .
O7 C16 1.263(8) .
C1 C2 1.377(8) .
C1 C6 1.396(8) .
C1 C7 1.502(8) .
C2 C3 1.396(8) .
C2 H2 0.9300 .
C3 C4 1.387(8) .
C3 C9 1.514(8) .
C4 C5 1.391(8) .
C4 H4 0.9300 .
C5 C6 1.382(8) .
C5 C8 1.521(8) .
C6 H6 0.9300 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.350(11) .
C10 C15 1.378(9) .
C11 C12 1.400(10) .
C11 H11 0.9300 .
C12 C13 1.380(10) .
C12 H12 0.9300 .
C13 C14 1.370(9) .
C13 C16 1.489(8) .
C14 C15 1.392(9) .
C14 H14 0.9300 .
C15 H15 0.9300 .
O8 C17 1.190(16) .
N1 C17 1.33(2) .
N1 C19 1.453(16) .
N1 C18 1.569(18) .
C17 H17 0.9300 .
C18 H18A 0.9600 .
C18 H18B 0.9599 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
O9 C20 1.214(8) .
C20 O10 1.291(8) .
C20 H20 0.9300 .
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_4
C6 C1 C2 C3 0.5(10) . .
C7 C1 C2 C3 -179.3(6) . .
C1 C2 C3 C4 1.7(10) . .
C1 C2 C3 C9 179.1(6) . .
C2 C3 C4 C5 -2.2(10) . .
C9 C3 C4 C5 -179.5(6) . .
C3 C4 C5 C6 0.4(10) . .
C3 C4 C5 C8 178.9(6) . .
C4 C5 C6 C1 1.8(9) . .
C8 C5 C6 C1 -176.7(6) . .
C2 C1 C6 C5 -2.2(10) . .
C7 C1 C6 C5 177.6(6) . .
Nd1 O2 C7 O1 -4.3(7) 7_656 .
Nd1 O2 C7 C1 174.5(5) 7_656 .
Nd1 O1 C7 O2 -148.9(10) . .
Nd1 O1 C7 O2 3.9(6) 7_656 .
Nd1 O1 C7 C1 32.2(16) . .
Nd1 O1 C7 C1 -175.0(5) 7_656 .
Nd1 O1 C7 Nd1 -152.8(13) . 7_656
C2 C1 C7 O2 -153.7(6) . .
C6 C1 C7 O2 26.4(9) . .
C2 C1 C7 O1 25.2(9) . .
C6 C1 C7 O1 -154.7(6) . .
Nd1 O4 C8 O3 32.3(10) 6_565 .
Nd1 O4 C8 C5 -147.8(4) 6_565 .
Nd1 O3 C8 O4 -2.9(11) 4_655 .
Nd1 O3 C8 C5 177.2(4) 4_655 .
C6 C5 C8 O4 -175.0(6) . .
C4 C5 C8 O4 6.5(9) . .
C6 C5 C8 O3 4.9(9) . .
C4 C5 C8 O3 -173.6(6) . .
C10 O5 C9 C3 -170.4(6) . .
C4 C3 C9 O5 -52.4(9) . .
C2 C3 C9 O5 130.2(7) . .
C9 O5 C10 C11 -175.3(8) . .
C9 O5 C10 C15 3.6(12) . .
O5 C10 C11 C12 -177.0(9) . .
C15 C10 C11 C12 4.1(15) . .
C10 C11 C12 C13 -1.6(15) . .
C11 C12 C13 C14 -0.9(14) . .
C11 C12 C13 C16 179.6(8) . .
C12 C13 C14 C15 0.9(13) . .
C16 C13 C14 C15 -179.6(7) . .
C11 C10 C15 C14 -4.0(13) . .
O5 C10 C15 C14 177.2(8) . .
C13 C14 C15 C10 1.5(12) . .
Nd1 O6 C16 O7 -6.3(7) 5_666 .
Nd1 O6 C16 C13 174.4(6) 5_666 .
Nd1 O7 C16 O6 6.1(7) 5_666 .
Nd1 O7 C16 C13 -174.5(6) 5_666 .
C14 C13 C16 O6 -166.1(7) . .
C12 C13 C16 O6 13.4(12) . .
C14 C13 C16 O7 14.5(11) . .
C12 C13 C16 O7 -166.0(8) . .
Nd1 O8 C17 N1 -160.1(14) . .
C19 N1 C17 O8 -7(3) . .
C18 N1 C17 O8 -164(2) . .
Nd1 O9 C20 O10 -164.7(9) . .
