#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:27:35 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180430 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/99/7209910.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_7209910
loop_
_publ_author_name
'Sun, Xiao-Li'
'Shen, Bing-Xue'
'Zang, Shuang-Quan'
'Du, Chen-Xia'
_publ_section_title
;
 Effect of lanthanide contraction on crystal structures of Ln(iii)
 coordination polymers with dinuclear SBUs based on
 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid
;
_journal_issue                   29
_journal_name_full               CrystEngComm
_journal_page_first              5910
_journal_paper_doi               10.1039/c3ce40236c
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C14 H11 Ce N O9, 3(H2 O)'
_chemical_formula_sum            'C14 H17 Ce N O12'
_chemical_formula_weight         531.41
_chemical_name_systematic
;
?
;
_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                112.492(7)
_cell_angle_beta                 93.296(7)
_cell_angle_gamma                104.776(6)
_cell_formula_units_Z            2
_cell_length_a                   7.7062(6)
_cell_length_b                   10.6544(6)
_cell_length_c                   12.7524(12)
_cell_measurement_reflns_used    3420
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.0393
_cell_measurement_theta_min      2.9596
_cell_volume                     921.20(14)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega 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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5652
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    2.536
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2009)'
_exptl_crystal_density_diffrn    1.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.889
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3228
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0265
_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)+(0.0261P)²+0.6198P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0632
_refine_ls_wR_factor_ref         0.0645
_reflns_number_gt                3024
_reflns_number_total             3228
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40236c.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        921.20(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7209910
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ce1 Ce 1.18510(3) 0.558050(19) 0.159200(17) 0.01822(9) Uani 1 1 d . . .
O1 O 0.9777(4) 0.4347(3) 0.2512(2) 0.0309(7) Uani 1 1 d . . .
O2 O 0.6802(5) 0.3986(3) 0.2350(3) 0.0558(10) Uani 1 1 d . . .
O3 O 0.9004(4) 0.3787(2) 0.0142(2) 0.0241(6) Uani 1 1 d . . .
O4 O 0.7329(4) 0.1984(3) -0.1415(2) 0.0358(7) Uani 1 1 d . . .
O5 O 0.6641(4) 0.2819(3) 0.6456(2) 0.0334(7) Uani 1 1 d . . .
O6 O 1.2760(4) 0.3959(3) -0.0223(2) 0.0265(6) Uani 1 1 d . . .
O7 O 1.4838(4) 0.3697(3) -0.1370(2) 0.0305(7) Uani 1 1 d . . .
O1W O 1.3291(4) 0.4035(3) 0.2224(3) 0.0414(8) Uani 1 1 d . . .
H1WA H 1.2913 0.3943 0.2707 0.062 Uiso 1 1 d R . .
H1WB H 1.4336 0.3881 0.2124 0.062 Uiso 1 1 d R . .
O2W O 0.9547(4) 0.6973(3) 0.2268(3) 0.0450(8) Uani 1 1 d . . .
H2WA H 0.8951 0.6952 0.2680 0.068 Uiso 1 1 d R . .
H2WB H 0.8969 0.6739 0.1723 0.068 Uiso 1 1 d R . .
O3W O 0.2882(7) 1.3155(6) 0.6162(4) 0.1111(19) Uani 1 1 d U . .
H3WA H 0.3576 1.2809 0.6003 0.167 Uiso 1 1 d R . .
H3WB H 0.3318 1.3797 0.6670 0.167 Uiso 1 1 d R . .
O4W O 0.3222(14) 1.4184(15) 0.4555(11) 0.100(3) Uani 0.562(7) 1 d PGU A 1
H4WA H 0.4095 1.4210 0.4376 0.150 Uiso 0.562(7) 1 d PG A 1
H4WB H 0.3121 1.4022 0.5051 0.150 Uiso 0.562(7) 1 d PG A 1
N1 N 0.7314(5) 0.1470(3) 0.3093(3) 0.0258(7) Uani 1 1 d . . .
C1 C 0.8148(5) 0.3572(4) 0.2142(3) 0.0246(9) Uani 1 1 d . . .
C2 C 0.8086(5) 0.2469(4) -0.0390(3) 0.0209(8) Uani 1 1 d . . .
C3 C 0.7859(5) 0.2007(4) 0.1406(3) 0.0191(8) Uani 1 1 d . . .
C4 C 0.7865(5) 0.1509(4) 0.0220(3) 0.0213(8) Uani 1 1 d . . .
C5 C 0.7584(6) 0.0060(4) -0.0423(4) 0.0328(10) Uani 1 1 d . . .
H5 H 0.7583 -0.0273 -0.1212 0.039 Uiso 1 1 calc R . .
C6 C 0.7308(7) -0.0884(4) 0.0081(4) 0.0422(12) Uani 1 1 d . . .
H6 H 0.7168 -0.1841 -0.0358 0.051 Uiso 1 1 calc R . .
C7 C 0.7239(7) -0.0412(4) 0.1242(4) 0.0364(11) Uani 1 1 d . . .
H7 H 0.7023 -0.1053 0.1585 0.044 Uiso 1 1 calc R . .
C8 C 0.7494(5) 0.1018(4) 0.1893(3) 0.0245(9) Uani 1 1 d . . .
C9 C 0.8505(6) 0.2953(4) 0.5060(4) 0.0332(10) Uani 1 1 d . . .
H9 H 0.9467 0.3658 0.5617 0.040 Uiso 1 1 calc R . .
C10 C 0.8686(6) 0.2490(4) 0.3937(4) 0.0295(9) Uani 1 1 d . . .
H10 H 0.9774 0.2877 0.3739 0.035 Uiso 1 1 calc R . .
C11 C 0.5758(6) 0.0885(4) 0.3387(4) 0.0325(10) Uani 1 1 d . . .
H11 H 0.4829 0.0171 0.2811 0.039 Uiso 1 1 calc R . .
C12 C 0.5510(6) 0.1305(4) 0.4496(4) 0.0335(10) Uani 1 1 d . . .
H12 H 0.4417 0.0875 0.4665 0.040 Uiso 1 1 calc R . .
C13 C 0.6879(5) 0.2388(4) 0.5405(3) 0.0259(9) Uani 1 1 d . . .
C14 C 1.4308(5) 0.4321(4) -0.0460(3) 0.0219(8) Uani 1 1 d . . .
O5W O 0.0943(18) 1.0125(9) 0.3447(12) 0.177(5) Uani 0.603(12) 1 d PGU B 1
H5WA H 0.0500 0.9994 0.2774 0.265 Uiso 0.603(12) 1 d PG B 1
H5WB H 0.1048 0.9347 0.3440 0.265 Uiso 0.603(12) 1 d PG B 1
O4X O 0.2957(16) 1.3007(12) 0.3872(12) 0.100(3) Uani 0.438(7) 1 d PGU A 2
H4XA H 0.2432 1.2129 0.3457 0.150 Uiso 0.438(7) 1 d PG A 2
H4XB H 0.2272 1.3140 0.4225 0.150 Uiso 0.438(7) 1 d PG A 2
O5X O 0.028(3) 0.9849(10) 0.4256(15) 0.177(5) Uani 0.397(12) 1 d PGU B 2
H5XA H 0.1195 1.0160 0.3988 0.265 Uiso 0.397(12) 1 d PG B 2
H5XB H -0.0546 0.9062 0.4083 0.265 Uiso 0.397(12) 1 d PG B 2
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'
Ce Ce -0.2486 2.6331 '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'
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
O5 Ce1 O1 84.74(9) 2_766 .
O5 Ce1 O7 77.38(9) 2_766 2_865
O1 Ce1 O7 142.78(10) . 2_865
O5 Ce1 O1W 77.57(10) 2_766 .
O1 Ce1 O1W 69.44(10) . .
O7 Ce1 O1W 74.92(10) 2_865 .
O5 Ce1 O3 150.91(9) 2_766 .
O1 Ce1 O3 69.04(9) . .
O7 Ce1 O3 131.40(8) 2_865 .
O1W Ce1 O3 103.45(9) . .
O5 Ce1 O6 136.12(9) 2_766 .
O1 Ce1 O6 115.31(8) . .
O7 Ce1 O6 63.08(8) 2_865 .
O1W Ce1 O6 74.56(10) . .
O3 Ce1 O6 69.66(8) . .
O5 Ce1 O2W 79.21(10) 2_766 .
O1 Ce1 O2W 72.68(10) . .
O7 Ce1 O2W 133.49(9) 2_865 .
O1W Ce1 O2W 136.88(11) . .
O3 Ce1 O2W 81.03(9) . .
O6 Ce1 O2W 142.45(9) . .
O5 Ce1 O4 79.47(9) 2_766 2_765
O1 Ce1 O4 138.18(10) . 2_765
O7 Ce1 O4 70.10(10) 2_865 2_765
O1W Ce1 O4 141.45(10) . 2_765
O3 Ce1 O4 111.57(8) . 2_765
O6 Ce1 O4 102.62(9) . 2_765
O2W Ce1 O4 66.45(10) . 2_765
O5 Ce1 O3 128.61(8) 2_766 2_765
O1 Ce1 O3 127.65(9) . 2_765
O7 Ce1 O3 88.35(9) 2_865 2_765
O1W Ce1 O3 145.43(9) . 2_765
O3 Ce1 O3 65.48(9) . 2_765
O6 Ce1 O3 70.89(8) . 2_765
O2W Ce1 O3 75.92(9) . 2_765
O4 Ce1 O3 49.42(8) 2_765 2_765
O5 Ce1 C2 103.78(10) 2_766 2_765
O1 Ce1 C2 139.40(10) . 2_765
O7 Ce1 C2 77.15(10) 2_865 2_765
O1W Ce1 C2 151.00(10) . 2_765
O3 Ce1 C2 89.25(9) . 2_765
O6 Ce1 C2 86.02(9) . 2_765
O2W Ce1 C2 70.24(10) . 2_765
O4 Ce1 C2 24.34(9) 2_765 2_765
O3 Ce1 C2 25.12(9) 2_765 2_765
C1 O1 Ce1 129.4(3) . .
C2 O3 Ce1 145.6(2) . .
C2 O3 Ce1 93.7(2) . 2_765
Ce1 O3 Ce1 114.52(9) . 2_765
C2 O4 Ce1 96.1(2) . 2_765
C13 O5 Ce1 142.9(3) . 2_766
C14 O6 Ce1 120.8(2) . .
C14 O7 Ce1 121.6(2) . 2_865
Ce1 O1W H1WA 110.1 . .
Ce1 O1W H1WB 129.0 . .
H1WA O1W H1WB 117.0 . .
Ce1 O2W H2WA 129.7 . .
Ce1 O2W H2WB 99.4 . .
H2WA O2W H2WB 106.5 . .
H3WA O3W H3WB 105.3 . .
C11 N1 C10 119.0(3) . .
C11 N1 C8 119.9(3) . .
C10 N1 C8 121.1(3) . .
O2 C1 O1 125.1(4) . .
O2 C1 C3 118.6(4) . .
O1 C1 C3 116.3(3) . .
O4 C2 O3 120.5(3) . .
O4 C2 C4 119.3(3) . .
O3 C2 C4 120.2(3) . .
O4 C2 Ce1 59.53(19) . 2_765
O3 C2 Ce1 61.14(18) . 2_765
C4 C2 Ce1 174.3(3) . 2_765
C8 C3 C4 118.3(3) . .
C8 C3 C1 120.3(3) . .
C4 C3 C1 121.3(3) . .
C5 C4 C3 119.3(3) . .
C5 C4 C2 118.6(3) . .
C3 C4 C2 122.0(3) . .
C6 C5 C4 121.4(4) . .
C6 C5 H5 119.3 . .
C4 C5 H5 119.3 . .
C5 C6 C7 119.8(4) . .
C5 C6 H6 120.1 . .
C7 C6 H6 120.1 . .
C6 C7 C8 119.7(4) . .
C6 C7 H7 120.2 . .
C8 C7 H7 120.2 . .
C7 C8 C3 121.4(4) . .
C7 C8 N1 118.5(3) . .
C3 C8 N1 120.1(3) . .
C10 C9 C13 121.3(4) . .
C10 C9 H9 119.3 . .
C13 C9 H9 119.3 . .
C9 C10 N1 121.5(4) . .
C9 C10 H10 119.3 . .
N1 C10 H10 119.3 . .
N1 C11 C12 121.9(4) . .
N1 C11 H11 119.1 . .
C12 C11 H11 119.1 . .
C11 C12 C13 121.3(4) . .
C11 C12 H12 119.3 . .
C13 C12 H12 119.3 . .
O5 C13 C12 121.8(4) . .
O5 C13 C9 123.2(4) . .
C12 C13 C9 115.0(4) . .
O7 C14 O6 126.4(3) . .
O7 C14 C14 117.0(4) . 2_865
O6 C14 C14 116.6(4) . 2_865
H4XA O4X H4XB 97.9 . .
H5XA O5X H5XB 137.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O5 2.421(3) 2_766
Ce1 O1 2.445(3) .
Ce1 O7 2.536(3) 2_865
Ce1 O1W 2.537(3) .
Ce1 O3 2.564(3) .
Ce1 O6 2.565(3) .
Ce1 O2W 2.577(3) .
Ce1 O4 2.610(3) 2_765
Ce1 O3 2.642(3) 2_765
Ce1 C2 3.010(4) 2_765
O1 C1 1.259(5) .
O2 C1 1.231(5) .
O3 C2 1.281(4) .
O3 Ce1 2.642(3) 2_765
O4 C2 1.248(5) .
O4 Ce1 2.610(3) 2_765
O5 C13 1.281(5) .
O5 Ce1 2.421(3) 2_766
O6 C14 1.249(4) .
O7 C14 1.248(4) .
O7 Ce1 2.536(3) 2_865
O1W H1WA 0.7252 .
O1W H1WB 0.8689 .
O2W H2WA 0.7199 .
O2W H2WB 0.7200 .
O3W H3WA 0.7199 .
O3W H3WB 0.7200 .
O4W H4WA 0.7200 .
O4W H4WB 0.7200 .
O4W H4XB 1.0685 .
N1 C11 1.349(5) .
N1 C10 1.358(5) .
N1 C8 1.444(5) .
C1 C3 1.517(5) .
C2 C4 1.489(5) .
C2 Ce1 3.010(4) 2_765
C3 C8 1.395(5) .
C3 C4 1.398(5) .
C4 C5 1.394(5) .
C5 C6 1.368(6) .
C5 H5 0.9300 .
C6 C7 1.378(6) .
C6 H6 0.9300 .
C7 C8 1.383(5) .
C7 H7 0.9300 .
C9 C10 1.353(6) .
C9 C13 1.417(6) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.352(6) .
C11 H11 0.9300 .
C12 C13 1.415(5) .
C12 H12 0.9300 .
C14 C14 1.542(7) 2_865
O5W H5WA 0.8500 .
O5W H5WB 0.8499 .
O5W H5XA 0.6892 .
O4X H4WA 1.2479 .
O4X H4WB 1.4529 .
O4X H4XA 0.8501 .
O4X H4XB 0.7201 .
O5X H5WB 1.2370 .
O5X H5XA 0.8499 .
O5X H5XB 0.8521 .
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
O5 Ce1 O1 C1 154.8(3) 2_766 .
O7 Ce1 O1 C1 -144.1(3) 2_865 .
O1W Ce1 O1 C1 -126.5(3) . .
O3 Ce1 O1 C1 -12.3(3) . .
O6 Ce1 O1 C1 -66.0(3) . .
O2W Ce1 O1 C1 74.5(3) . .
O4 Ce1 O1 C1 87.0(3) 2_765 .
O3 Ce1 O1 C1 18.7(4) 2_765 .
C2 Ce1 O1 C1 49.7(4) 2_765 .
O5 Ce1 O3 C2 -91.3(4) 2_766 .
O1 Ce1 O3 C2 -64.2(4) . .
O7 Ce1 O3 C2 78.8(4) 2_865 .
O1W Ce1 O3 C2 -2.8(4) . .
O6 Ce1 O3 C2 64.8(4) . .
O2W Ce1 O3 C2 -139.0(4) . .
O4 Ce1 O3 C2 160.8(4) 2_765 .
O3 Ce1 O3 C2 142.4(5) 2_765 .
C2 Ce1 O3 C2 150.9(4) 2_765 .
O5 Ce1 O3 Ce1 126.21(16) 2_766 2_765
O1 Ce1 O3 Ce1 153.33(13) . 2_765
O7 Ce1 O3 Ce1 -63.62(15) 2_865 2_765
O1W Ce1 O3 Ce1 -145.24(11) . 2_765
O6 Ce1 O3 Ce1 -77.60(11) . 2_765
O2W Ce1 O3 Ce1 78.54(12) . 2_765
O4 Ce1 O3 Ce1 18.36(13) 2_765 2_765
O3 Ce1 O3 Ce1 0.0 2_765 2_765
C2 Ce1 O3 Ce1 8.43(11) 2_765 2_765
O5 Ce1 O6 C14 -36.3(3) 2_766 .
O1 Ce1 O6 C14 -146.5(3) . .
O7 Ce1 O6 C14 -8.1(3) 2_865 .
O1W Ce1 O6 C14 -88.7(3) . .
O3 Ce1 O6 C14 160.2(3) . .
O2W Ce1 O6 C14 119.2(3) . .
O4 Ce1 O6 C14 51.6(3) 2_765 .
O3 Ce1 O6 C14 90.1(3) 2_765 .
C2 Ce1 O6 C14 69.5(3) 2_765 .
Ce1 O1 C1 O2 -94.7(5) . .
Ce1 O1 C1 C3 86.7(4) . .
Ce1 O4 C2 O3 -4.7(4) 2_765 .
Ce1 O4 C2 C4 173.5(3) 2_765 .
Ce1 O3 C2 O4 -141.6(3) . .
Ce1 O3 C2 O4 4.6(4) 2_765 .
Ce1 O3 C2 C4 40.2(6) . .
Ce1 O3 C2 C4 -173.6(3) 2_765 .
Ce1 O3 C2 Ce1 -146.2(4) . 2_765
O2 C1 C3 C8 -80.9(5) . .
O1 C1 C3 C8 97.7(4) . .
O2 C1 C3 C4 96.0(5) . .
O1 C1 C3 C4 -85.3(5) . .
C8 C3 C4 C5 -2.6(6) . .
C1 C3 C4 C5 -179.6(4) . .
C8 C3 C4 C2 174.8(4) . .
C1 C3 C4 C2 -2.3(6) . .
O4 C2 C4 C5 28.7(6) . .
O3 C2 C4 C5 -153.0(4) . .
O4 C2 C4 C3 -148.7(4) . .
O3 C2 C4 C3 29.6(5) . .
C3 C4 C5 C6 -0.2(7) . .
C2 C4 C5 C6 -177.7(4) . .
C4 C5 C6 C7 2.4(8) . .
C5 C6 C7 C8 -1.6(8) . .
C6 C7 C8 C3 -1.3(7) . .
C6 C7 C8 N1 176.6(4) . .
C4 C3 C8 C7 3.4(6) . .
C1 C3 C8 C7 -179.5(4) . .
C4 C3 C8 N1 -174.5(3) . .
C1 C3 C8 N1 2.5(6) . .
C11 N1 C8 C7 -56.4(5) . .
C10 N1 C8 C7 124.2(4) . .
C11 N1 C8 C3 121.6(4) . .
C10 N1 C8 C3 -57.8(5) . .
C13 C9 C10 N1 0.5(7) . .
C11 N1 C10 C9 -1.8(6) . .
C8 N1 C10 C9 177.7(4) . .
C10 N1 C11 C12 1.5(6) . .
C8 N1 C11 C12 -178.0(4) . .
N1 C11 C12 C13 0.1(7) . .
Ce1 O5 C13 C12 176.9(3) 2_766 .
Ce1 O5 C13 C9 -3.6(7) 2_766 .
C11 C12 C13 O5 178.2(4) . .
C11 C12 C13 C9 -1.3(6) . .
C10 C9 C13 O5 -178.5(4) . .
C10 C9 C13 C12 1.0(6) . .
Ce1 O7 C14 O6 -172.2(3) 2_865 .
Ce1 O7 C14 C14 8.2(5) 2_865 2_865
Ce1 O6 C14 O7 -172.1(3) . .
Ce1 O6 C14 C14 7.5(5) . 2_865
