#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/24/7202420.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_7202420
loop_
_publ_author_name
'Li, Cui-Jin'
'Peng, Meng-Xia'
'Leng, Ji-Dong'
'Yang, Ming-Mei'
'Lin, Zhuojia'
'Tong, Ming-Liang'
_publ_section_title
;
 Synthesis, structure, photoluminescence and magnetic properties of new
 3-D lanthanide-pyridine-2,4,6-tricarboxylate frameworks
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              1645
_journal_paper_doi               10.1039/b811883n
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C16 H13 N2 O16.5 Tb2'
_chemical_formula_weight         815.12
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 100.886(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.757(3)
_cell_length_b                   9.1657(13)
_cell_length_c                   22.457(3)
_cell_measurement_reflns_used    8050
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.91
_cell_volume                     4397.7(11)
_computing_cell_refinement       'SAINT-PLUS, Ver. 6.0, 1997'
_computing_data_collection       'SMART, 1998.'
_computing_data_reduction        'SAINT-PLUS, Ver. 6.0, 1997'
_computing_molecular_graphics    'XP, Ver. 6.10, Bruker AXS Inc., 2000'
_computing_publication_material  'SHELXTL-Bruker AXS Inc., 1998'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker Apex CCD'
_diffrn_measurement_method       'ω scan'
_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  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            8050
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    6.470
_exptl_absorpt_correction_T_max  0.5390
_exptl_absorpt_correction_T_min  0.3666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             3080
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.085
_refine_diff_density_min         -1.962
_refine_diff_density_rms         0.218
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         4165
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0365
_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)+(0.0245P)²+59.6405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0846
_reflns_number_gt                3775
_reflns_number_total             4165
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b811883n.txt
_cod_data_source_block           tbm
_cod_original_cell_volume        4397.6(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C16 H13 N2 O16.50 Tb2'
_cod_database_code               7202420
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.045254(13) 0.31163(3) 0.422380(14) 0.00656(10) Uani 1 1 d . . .
Tb2 Tb 0.156559(13) 0.39137(3) 0.175579(13) 0.00581(10) Uani 1 1 d . . .
O1W O -0.0223(2) 0.2461(6) 0.4874(2) 0.0160(11) Uani 1 1 d D . .
H1WA H -0.0222 0.2919 0.5203 0.019 Uiso 1 1 d RD . .
H1WB H -0.0597 0.2200 0.4735 0.019 Uiso 1 1 d RD . .
O2W O 0.1163(2) 0.1188(5) 0.4383(2) 0.0153(11) Uani 1 1 d D . .
H2WA H 0.1330 0.0902 0.4091 0.018 Uiso 1 1 d RD . .
H2WB H 0.1168 0.0496 0.4636 0.018 Uiso 1 1 d RD . .
O1 O 0.0757(2) 0.3507(6) 0.3285(2) 0.0134(10) Uani 1 1 d . . .
O2 O 0.1410(2) 0.4407(5) 0.2717(2) 0.0133(10) Uani 1 1 d . . .
O3 O 0.3332(2) 0.7069(6) 0.3928(2) 0.0168(11) Uani 1 1 d . . .
O4 O 0.3690(2) 0.6067(6) 0.4824(2) 0.0180(11) Uani 1 1 d . . .
O5 O 0.1734(2) 0.4975(5) 0.5855(2) 0.0125(10) Uani 1 1 d . . .
O6 O 0.0947(2) 0.3899(5) 0.5218(2) 0.0102(10) Uani 1 1 d . . .
O7 O 0.23724(19) 0.5727(5) 0.2118(2) 0.0099(10) Uani 1 1 d . . .
O8 O 0.2586(2) 0.7734(5) 0.2678(2) 0.0162(11) Uani 1 1 d . . .
O9 O 0.0997(2) 1.1879(5) 0.1998(2) 0.0110(10) Uani 1 1 d . . .
O10 O 0.0153(2) 1.1290(5) 0.1298(2) 0.0129(10) Uani 1 1 d . . .
O11 O -0.0276(2) 0.5812(5) 0.0868(2) 0.0095(10) Uani 1 1 d U . .
O12 O 0.0496(2) 0.4377(5) 0.1289(2) 0.0090(9) Uani 1 1 d . . .
N1 N 0.1480(2) 0.4327(6) 0.4290(2) 0.0078(11) Uani 1 1 d . . .
N2 N 0.1210(2) 0.6522(6) 0.1751(2) 0.0057(11) Uani 1 1 d . . .
C1 C 0.1699(3) 0.4557(8) 0.3779(3) 0.0124(14) Uani 1 1 d . . .
C2 C 0.2272(3) 0.5214(7) 0.3788(3) 0.0104(14) Uani 1 1 d . . .
H2 H 0.2418 0.5391 0.3422 0.012 Uiso 1 1 calc R . .
C3 C 0.2636(3) 0.5616(8) 0.4352(3) 0.0120(14) Uani 1 1 d . . .
C4 C 0.2402(3) 0.5369(7) 0.4877(3) 0.0103(14) Uani 1 1 d . . .
H4 H 0.2637 0.5630 0.5263 0.012 Uiso 1 1 calc R . .
C5 C 0.1812(3) 0.4729(7) 0.4823(3) 0.0087(13) Uani 1 1 d . . .
C6 C 0.1255(3) 0.4125(7) 0.3216(3) 0.0090(13) Uani 1 1 d U . .
C7 C 0.3271(3) 0.6312(7) 0.4374(3) 0.0112(14) Uani 1 1 d . . .
C8 C 0.1475(3) 0.4514(7) 0.5342(3) 0.0067(13) Uani 1 1 d . . .
C9 C 0.1597(3) 0.7544(7) 0.2014(3) 0.0101(14) Uani 1 1 d U . .
C10 C 0.1434(3) 0.8999(7) 0.2006(3) 0.0100(14) Uani 1 1 d . . .
H10 H 0.1722 0.9707 0.2202 0.012 Uiso 1 1 calc R . .
C11 C 0.0840(3) 0.9412(7) 0.1706(3) 0.0090(13) Uani 1 1 d . . .
C12 C 0.0440(3) 0.8339(8) 0.1421(3) 0.0112(14) Uani 1 1 d . . .
H12 H 0.0036 0.8583 0.1201 0.013 Uiso 1 1 calc R . .
C13 C 0.0640(3) 0.6923(7) 0.1463(3) 0.0085(13) Uani 1 1 d . . .
C14 C 0.2238(3) 0.6958(7) 0.2292(3) 0.0080(13) Uani 1 1 d . . .
C15 C 0.0651(3) 1.0992(7) 0.1669(3) 0.0086(13) Uani 1 1 d . . .
C16 C 0.0260(3) 0.5648(7) 0.1183(3) 0.0060(13) Uani 1 1 d . . .
O3W O -0.0975(4) 0.7458(11) 0.1704(4) 0.071(2) Uani 1 1 d U . .
O4W O 0.1466(5) 0.0603(13) 0.3282(5) 0.0258(18) Uani 0.50 1 d PU . .
O4W' O 0.1697(5) -0.0158(13) 0.3594(5) 0.0258(18) Uani 0.50 1 d PU . .
O5W O 0.0000 0.5931(12) 0.2500 0.055(3) Uani 1 2 d SU . .
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'
Tb Tb -0.1723 4.1537 '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
O10 Tb1 O2W 80.02(17) 2_545 . ?
O10 Tb1 O1W 76.43(17) 2_545 . ?
O2W Tb1 O1W 100.72(18) . . ?
O10 Tb1 O1 83.43(17) 2_545 . ?
O2W Tb1 O1 87.83(17) . . ?
O1W Tb1 O1 156.27(16) . . ?
O10 Tb1 O6 143.36(16) 2_545 . ?
O2W Tb1 O6 85.17(16) . . ?
O1W Tb1 O6 73.69(15) . . ?
O1 Tb1 O6 129.49(15) . . ?
O10 Tb1 O12 75.79(15) 2_545 2 ?
O2W Tb1 O12 154.67(16) . 2 ?
O1W Tb1 O12 80.89(16) . 2 ?
O1 Tb1 O12 82.11(15) . 2 ?
O6 Tb1 O12 119.04(15) . 2 ?
O10 Tb1 N1 141.07(17) 2_545 . ?
O2W Tb1 N1 76.42(17) . . ?
O1W Tb1 N1 138.15(17) . . ?
O1 Tb1 N1 65.26(17) . . ?
O6 Tb1 N1 64.46(16) . . ?
O12 Tb1 N1 119.17(16) 2 . ?
O10 Tb1 O11 127.61(15) 2_545 2 ?
O2W Tb1 O11 148.01(15) . 2 ?
O1W Tb1 O11 101.54(17) . 2 ?
O1 Tb1 O11 80.87(16) . 2 ?
O6 Tb1 O11 79.39(15) . 2 ?
O12 Tb1 O11 52.73(14) 2 2 ?
N1 Tb1 O11 71.66(16) . 2 ?
O10 Tb1 C16 101.78(17) 2_545 2 ?
O2W Tb1 C16 166.78(17) . 2 ?
O1W Tb1 C16 92.40(18) . 2 ?
O1 Tb1 C16 79.43(17) . 2 ?
O6 Tb1 C16 100.18(17) . 2 ?
O12 Tb1 C16 26.62(16) 2 2 ?
N1 Tb1 C16 94.87(17) . 2 ?
O11 Tb1 C16 26.15(16) 2 2 ?
O2 Tb2 O8 79.54(18) . 4_545 ?
O2 Tb2 O3 144.69(18) . 4_545 ?
O8 Tb2 O3 81.77(17) 4_545 4_545 ?
O2 Tb2 O5 142.96(17) . 6_565 ?
O8 Tb2 O5 116.02(17) 4_545 6_565 ?
O3 Tb2 O5 72.35(17) 4_545 6_565 ?
O2 Tb2 O9 76.21(17) . 1_545 ?
O8 Tb2 O9 84.36(16) 4_545 1_545 ?
O3 Tb2 O9 72.35(17) 4_545 1_545 ?
O5 Tb2 O9 135.57(16) 6_565 1_545 ?
O2 Tb2 O12 94.18(16) . . ?
O8 Tb2 O12 158.89(16) 4_545 . ?
O3 Tb2 O12 92.61(16) 4_545 . ?
O5 Tb2 O12 81.01(15) 6_565 . ?
O9 Tb2 O12 74.56(15) 1_545 . ?
O2 Tb2 O7 77.11(16) . . ?
O8 Tb2 O7 71.63(16) 4_545 . ?
O3 Tb2 O7 124.26(16) 4_545 . ?
O5 Tb2 O7 76.88(16) 6_565 . ?
O9 Tb2 O7 146.79(15) 1_545 . ?
O12 Tb2 O7 126.94(15) . . ?
O2 Tb2 N2 73.48(17) . . ?
O8 Tb2 N2 131.52(17) 4_545 . ?
O3 Tb2 N2 139.26(17) 4_545 . ?
O5 Tb2 N2 71.50(17) 6_565 . ?
O9 Tb2 N2 125.40(16) 1_545 . ?
O12 Tb2 N2 63.76(16) . . ?
O7 Tb2 N2 63.60(15) . . ?
Tb1 O1W H1WA 121.2 . . ?
Tb1 O1W H1WB 121.0 . . ?
H1WA O1W H1WB 107.6 . . ?
Tb1 O2W H2WA 118.8 . . ?
Tb1 O2W H2WB 126.3 . . ?
H2WA O2W H2WB 109.5 . . ?
C6 O1 Tb1 125.0(4) . . ?
C6 O2 Tb2 155.7(5) . . ?
C7 O3 Tb2 167.2(5) . 4 ?
C8 O5 Tb2 144.8(4) . 6_566 ?
C8 O6 Tb1 124.6(4) . . ?
C14 O7 Tb2 121.6(4) . . ?
C14 O8 Tb2 163.9(5) . 4 ?
C15 O9 Tb2 131.4(4) . 1_565 ?
C15 O10 Tb1 145.7(4) . 2_565 ?
C16 O11 Tb1 92.3(4) . 2 ?
C16 O12 Tb2 124.4(4) . . ?
C16 O12 Tb1 94.0(4) . 2 ?
Tb2 O12 Tb1 141.4(2) . 2 ?
C5 N1 C1 120.5(6) . . ?
C5 N1 Tb1 120.6(4) . . ?
C1 N1 Tb1 118.9(4) . . ?
C9 N2 C13 118.4(6) . . ?
C9 N2 Tb2 120.1(4) . . ?
C13 N2 Tb2 121.4(4) . . ?
N1 C1 C2 121.4(6) . . ?
N1 C1 C6 113.9(6) . . ?
C2 C1 C6 124.6(6) . . ?
C1 C2 C3 118.7(6) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 119.0(6) . . ?
C4 C3 C7 121.4(6) . . ?
C2 C3 C7 119.6(6) . . ?
C3 C4 C5 118.3(6) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 121.9(6) . . ?
N1 C5 C8 113.7(5) . . ?
C4 C5 C8 124.3(6) . . ?
O1 C6 O2 125.8(6) . . ?
O1 C6 C1 116.8(6) . . ?
O2 C6 C1 117.4(6) . . ?
O3 C7 O4 125.4(6) . . ?
O3 C7 C3 116.4(6) . . ?
O4 C7 C3 118.2(6) . . ?
O5 C8 O6 125.7(6) . . ?
O5 C8 C5 117.8(6) . . ?
O6 C8 C5 116.4(6) . . ?
N2 C9 C10 122.6(6) . . ?
N2 C9 C14 113.1(6) . . ?
C10 C9 C14 124.2(6) . . ?
C9 C10 C11 118.8(6) . . ?
C9 C10 H10 120.6 . . ?
C11 C10 H10 120.6 . . ?
C12 C11 C10 118.3(6) . . ?
C12 C11 C15 121.1(6) . . ?
C10 C11 C15 120.5(6) . . ?
C13 C12 C11 118.6(6) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
N2 C13 C12 123.2(6) . . ?
N2 C13 C16 112.1(6) . . ?
C12 C13 C16 124.7(6) . . ?
O7 C14 O8 125.6(6) . . ?
O7 C14 C9 116.3(6) . . ?
O8 C14 C9 118.0(6) . . ?
O9 C15 O10 126.5(6) . . ?
O9 C15 C11 117.7(6) . . ?
O10 C15 C11 115.9(6) . . ?
O11 C16 O12 120.8(6) . . ?
O11 C16 C13 121.6(6) . . ?
O12 C16 C13 117.6(5) . . ?
O11 C16 Tb1 61.6(3) . 2 ?
O12 C16 Tb1 59.4(3) . 2 ?
C13 C16 Tb1 174.1(5) . 2 ?
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
Tb1 O10 2.308(5) 2_545 ?
Tb1 O2W 2.331(5) . ?
Tb1 O1W 2.337(5) . ?
Tb1 O1 2.354(5) . ?
Tb1 O6 2.398(5) . ?
Tb1 O12 2.454(4) 2 ?
Tb1 N1 2.475(5) . ?
Tb1 O11 2.503(5) 2 ?
Tb1 C16 2.844(6) 2 ?
Tb2 O2 2.292(5) . ?
Tb2 O8 2.304(5) 4_545 ?
Tb2 O3 2.323(5) 4_545 ?
Tb2 O5 2.355(5) 6_565 ?
Tb2 O9 2.357(4) 1_545 ?
Tb2 O12 2.403(4) . ?
Tb2 O7 2.443(4) . ?
Tb2 N2 2.512(5) . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8499 . ?
O2W H2WA 0.8500 . ?
O2W H2WB 0.8500 . ?
O1 C6 1.257(8) . ?
O2 C6 1.257(8) . ?
O3 C7 1.245(8) . ?
O3 Tb2 2.323(5) 4 ?
O4 C7 1.248(8) . ?
O5 C8 1.257(8) . ?
O5 Tb2 2.355(5) 6_566 ?
O6 C8 1.263(8) . ?
O7 C14 1.246(8) . ?
O8 C14 1.258(8) . ?
O8 Tb2 2.304(5) 4 ?
O9 C15 1.251(8) . ?
O9 Tb2 2.357(4) 1_565 ?
O10 C15 1.265(8) . ?
O10 Tb1 2.308(5) 2_565 ?
O11 C16 1.254(7) . ?
O11 Tb1 2.503(5) 2 ?
O12 C16 1.277(8) . ?
O12 Tb1 2.454(4) 2 ?
N1 C5 1.328(8) . ?
N1 C1 1.340(9) . ?
N2 C9 1.322(9) . ?
N2 C13 1.337(8) . ?
C1 C2 1.381(9) . ?
C1 C6 1.493(9) . ?
C2 C3 1.410(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(10) . ?
C3 C7 1.514(9) . ?
C4 C5 1.395(9) . ?
C4 H4 0.9500 . ?
C5 C8 1.501(9) . ?
C9 C10 1.379(9) . ?
C9 C14 1.515(9) . ?
C10 C11 1.393(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.387(9) . ?
C11 C15 1.503(9) . ?
C12 C13 1.366(9) . ?
C12 H12 0.9500 . ?
C13 C16 1.499(9) . ?
C16 Tb1 2.844(6) 2 ?
O4W O4W' 1.046(15) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1WA O11 0.85 1.91 2.756(7) 171.2 6_566
O1W H1WB O4 0.85 1.91 2.672(6) 149.0 3_445
O2W H2WA O4W' 0.85 1.78 2.606(12) 164.0 .
O2W H2WA O4W 0.85 1.91 2.730(12) 160.6 .
O2W H2WB O4 0.85 1.86 2.707(7) 170.8 7_556
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O10 Tb1 O1 C6 -157.6(5) 2_545 . . . ?
O2W Tb1 O1 C6 -77.4(5) . . . . ?
O1W Tb1 O1 C6 170.5(5) . . . . ?
O6 Tb1 O1 C6 4.6(6) . . . . ?
O12 Tb1 O1 C6 125.9(5) 2 . . . ?
N1 Tb1 O1 C6 -1.3(5) . . . . ?
O11 Tb1 O1 C6 72.6(5) 2 . . . ?
C16 Tb1 O1 C6 99.1(5) 2 . . . ?
O8 Tb2 O2 C6 -75.4(11) 4_545 . . . ?
O3 Tb2 O2 C6 -16.3(12) 4_545 . . . ?
O5 Tb2 O2 C6 164.8(10) 6_565 . . . ?
O9 Tb2 O2 C6 11.3(11) 1_545 . . . ?
O12 Tb2 O2 C6 84.2(11) . . . . ?
O7 Tb2 O2 C6 -148.8(11) . . . . ?
N2 Tb2 O2 C6 145.3(11) . . . . ?
O10 Tb1 O6 C8 142.2(5) 2_545 . . . ?
O2W Tb1 O6 C8 76.1(5) . . . . ?
O1W Tb1 O6 C8 178.8(5) . . . . ?
O1 Tb1 O6 C8 -7.1(6) . . . . ?
O12 Tb1 O6 C8 -111.8(5) 2 . . . ?
N1 Tb1 O6 C8 -1.2(5) . . . . ?
O11 Tb1 O6 C8 -75.8(5) 2 . . . ?
C16 Tb1 O6 C8 -91.7(5) 2 . . . ?
O2 Tb2 O7 C14 -57.9(5) . . . . ?
O8 Tb2 O7 C14 -141.0(5) 4_545 . . . ?
O3 Tb2 O7 C14 153.2(5) 4_545 . . . ?
O5 Tb2 O7 C14 95.5(5) 6_565 . . . ?
O9 Tb2 O7 C14 -95.1(5) 1_545 . . . ?
O12 Tb2 O7 C14 27.6(6) . . . . ?
N2 Tb2 O7 C14 19.9(5) . . . . ?
O2 Tb2 O12 C16 77.9(5) . . . . ?
O8 Tb2 O12 C16 149.4(5) 4_545 . . . ?
O3 Tb2 O12 C16 -136.8(5) 4_545 . . . ?
O5 Tb2 O12 C16 -65.2(5) 6_565 . . . ?
O9 Tb2 O12 C16 152.3(5) 1_545 . . . ?
O7 Tb2 O12 C16 0.9(5) . . . . ?
N2 Tb2 O12 C16 8.6(5) . . . . ?
O2 Tb2 O12 Tb1 -110.3(3) . . . 2 ?
O8 Tb2 O12 Tb1 -38.8(7) 4_545 . . 2 ?
O3 Tb2 O12 Tb1 35.0(3) 4_545 . . 2 ?
O5 Tb2 O12 Tb1 106.7(3) 6_565 . . 2 ?
O9 Tb2 O12 Tb1 -35.9(3) 1_545 . . 2 ?
O7 Tb2 O12 Tb1 172.7(3) . . . 2 ?
N2 Tb2 O12 Tb1 -179.6(4) . . . 2 ?
O10 Tb1 N1 C5 -141.6(4) 2_545 . . . ?
O2W Tb1 N1 C5 -87.3(5) . . . . ?
O1W Tb1 N1 C5 3.7(6) . . . . ?
O1 Tb1 N1 C5 178.8(5) . . . . ?
O6 Tb1 N1 C5 3.8(4) . . . . ?
O12 Tb1 N1 C5 114.3(5) 2 . . . ?
O11 Tb1 N1 C5 90.6(5) 2 . . . ?
C16 Tb1 N1 C5 102.8(5) 2 . . . ?
O10 Tb1 N1 C1 37.8(6) 2_545 . . . ?
O2W Tb1 N1 C1 92.1(5) . . . . ?
O1W Tb1 N1 C1 -176.9(4) . . . . ?
O1 Tb1 N1 C1 -1.8(5) . . . . ?
O6 Tb1 N1 C1 -176.8(5) . . . . ?
O12 Tb1 N1 C1 -66.3(5) 2 . . . ?
O11 Tb1 N1 C1 -90.0(5) 2 . . . ?
C16 Tb1 N1 C1 -77.8(5) 2 . . . ?
O2 Tb2 N2 C9 74.5(5) . . . . ?
O8 Tb2 N2 C9 15.6(6) 4_545 . . . ?
O3 Tb2 N2 C9 -121.8(5) 4_545 . . . ?
O5 Tb2 N2 C9 -93.2(5) 6_565 . . . ?
O9 Tb2 N2 C9 133.5(5) 1_545 . . . ?
O12 Tb2 N2 C9 177.9(5) . . . . ?
O7 Tb2 N2 C9 -9.0(5) . . . . ?
O2 Tb2 N2 C13 -108.6(5) . . . . ?
O8 Tb2 N2 C13 -167.5(4) 4_545 . . . ?
O3 Tb2 N2 C13 55.2(6) 4_545 . . . ?
O5 Tb2 N2 C13 83.7(5) 6_565 . . . ?
O9 Tb2 N2 C13 -49.6(5) 1_545 . . . ?
O12 Tb2 N2 C13 -5.2(4) . . . . ?
O7 Tb2 N2 C13 167.9(5) . . . . ?
C5 N1 C1 C2 0.0(10) . . . . ?
Tb1 N1 C1 C2 -179.3(5) . . . . ?
C5 N1 C1 C6 -176.5(6) . . . . ?
Tb1 N1 C1 C6 4.1(8) . . . . ?
N1 C1 C2 C3 1.5(10) . . . . ?
C6 C1 C2 C3 177.6(6) . . . . ?
C1 C2 C3 C4 -1.4(10) . . . . ?
C1 C2 C3 C7 178.9(6) . . . . ?
C2 C3 C4 C5 0.0(10) . . . . ?
C7 C3 C4 C5 179.7(6) . . . . ?
C1 N1 C5 C4 -1.6(10) . . . . ?
Tb1 N1 C5 C4 177.8(5) . . . . ?
C1 N1 C5 C8 174.9(6) . . . . ?
Tb1 N1 C5 C8 -5.7(7) . . . . ?
C3 C4 C5 N1 1.5(10) . . . . ?
C3 C4 C5 C8 -174.6(6) . . . . ?
Tb1 O1 C6 O2 -176.2(5) . . . . ?
Tb1 O1 C6 C1 3.9(8) . . . . ?
Tb2 O2 C6 O1 -48.3(15) . . . . ?
Tb2 O2 C6 C1 131.5(9) . . . . ?
N1 C1 C6 O1 -5.2(9) . . . . ?
C2 C1 C6 O1 178.4(7) . . . . ?
N1 C1 C6 O2 174.9(6) . . . . ?
C2 C1 C6 O2 -1.4(10) . . . . ?
Tb2 O3 C7 O4 -76(2) 4 . . . ?
Tb2 O3 C7 C3 105(2) 4 . . . ?
C4 C3 C7 O3 -148.7(7) . . . . ?
C2 C3 C7 O3 31.0(9) . . . . ?
C4 C3 C7 O4 32.5(10) . . . . ?
C2 C3 C7 O4 -147.8(7) . . . . ?
Tb2 O5 C8 O6 -36.0(12) 6_566 . . . ?
Tb2 O5 C8 C5 142.8(6) 6_566 . . . ?
Tb1 O6 C8 O5 177.6(5) . . . . ?
Tb1 O6 C8 C5 -1.2(8) . . . . ?
N1 C5 C8 O5 -174.4(6) . . . . ?
C4 C5 C8 O5 2.0(10) . . . . ?
N1 C5 C8 O6 4.5(8) . . . . ?
C4 C5 C8 O6 -179.1(6) . . . . ?
C13 N2 C9 C10 0.6(10) . . . . ?
Tb2 N2 C9 C10 177.6(5) . . . . ?
C13 N2 C9 C14 -176.7(6) . . . . ?
Tb2 N2 C9 C14 0.4(7) . . . . ?
N2 C9 C10 C11 -0.5(10) . . . . ?
C14 C9 C10 C11 176.5(6) . . . . ?
C9 C10 C11 C12 -0.8(10) . . . . ?
C9 C10 C11 C15 -177.9(6) . . . . ?
C10 C11 C12 C13 2.0(10) . . . . ?
C15 C11 C12 C13 179.1(6) . . . . ?
C9 N2 C13 C12 0.7(10) . . . . ?
Tb2 N2 C13 C12 -176.3(5) . . . . ?
C9 N2 C13 C16 179.3(6) . . . . ?
Tb2 N2 C13 C16 2.3(7) . . . . ?
C11 C12 C13 N2 -2.0(10) . . . . ?
C11 C12 C13 C16 179.5(6) . . . . ?
Tb2 O7 C14 O8 151.8(5) . . . . ?
Tb2 O7 C14 C9 -27.6(8) . . . . ?
Tb2 O8 C14 O7 40(2) 4 . . . ?
Tb2 O8 C14 C9 -140.5(14) 4 . . . ?
N2 C9 C14 O7 17.1(9) . . . . ?
C10 C9 C14 O7 -160.1(6) . . . . ?
N2 C9 C14 O8 -162.3(6) . . . . ?
C10 C9 C14 O8 20.5(10) . . . . ?
Tb2 O9 C15 O10 -60.7(9) 1_565 . . . ?
Tb2 O9 C15 C11 118.6(6) 1_565 . . . ?
Tb1 O10 C15 O9 13.9(12) 2_565 . . . ?
Tb1 O10 C15 C11 -165.4(5) 2_565 . . . ?
C12 C11 C15 O9 171.1(6) . . . . ?
C10 C11 C15 O9 -12.0(9) . . . . ?
C12 C11 C15 O10 -9.5(9) . . . . ?
C10 C11 C15 O10 167.4(6) . . . . ?
Tb1 O11 C16 O12 4.3(6) 2 . . . ?
Tb1 O11 C16 C13 -174.2(5) 2 . . . ?
Tb2 O12 C16 O11 170.5(4) . . . . ?
Tb1 O12 C16 O11 -4.4(6) 2 . . . ?
Tb2 O12 C16 C13 -10.9(8) . . . . ?
Tb1 O12 C16 C13 174.2(5) 2 . . . ?
Tb2 O12 C16 Tb1 174.9(4) . . . 2 ?
N2 C13 C16 O11 -176.3(6) . . . . ?
C12 C13 C16 O11 2.3(10) . . . . ?
N2 C13 C16 O12 5.1(8) . . . . ?
C12 C13 C16 O12 -176.3(6) . . . . ?
N2 C13 C16 Tb1 63(4) . . . 2 ?
C12 C13 C16 Tb1 -119(4) . . . 2 ?
