#------------------------------------------------------------------------------
#$Date: 2018-12-19 04:34:32 +0200 (Wed, 19 Dec 2018) $
#$Revision: 212651 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/20/7232025.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_7232025
loop_
_publ_author_name
'Wang, Wenbo'
'Wang, Ruiying'
'Ge, Yafang'
'Wu, Benlai'
_publ_section_title
;
 Color tuning and white light emission by codoping in isostructural
 homochiral lanthanide metal--organic frameworks
;
_journal_issue                   73
_journal_name_full               'RSC Advances'
_journal_page_first              42100
_journal_paper_doi               10.1039/C8RA06793G
_journal_volume                  8
_journal_year                    2018
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C24 H30 N2 O16 Tb2, 2(Cl), 5(H2 O)'
_chemical_formula_sum            'C24 H40 Cl2 N2 O21 Tb2'
_chemical_formula_weight         1081.32
_chemical_name_common            'C24 H40 Cl2 N2 O21 Tb2'
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2018-07-01 deposited with the CCDC.
2018-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                105.072(3)
_cell_angle_beta                 93.691(3)
_cell_angle_gamma                110.107(4)
_cell_formula_units_Z            1
_cell_length_a                   9.6763(4)
_cell_length_b                   10.0338(4)
_cell_length_c                   10.9853(5)
_cell_measurement_reflns_used    8074
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8060
_cell_measurement_theta_min      3.8660
_cell_volume                     953.10(8)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_unetI/netI     0.0714
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15548
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.378
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.901
_exptl_absorpt_correction_T_max  0.840
_exptl_absorpt_correction_T_min  0.673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrysAlisPro
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_description       block
_exptl_crystal_F_000             530
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.994
_refine_diff_density_min         -0.778
_refine_diff_density_rms         0.142
_refine_ls_abs_structure_details
;
 Flack x determined using 2870 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.25(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         7729
_refine_ls_number_restraints     129
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0244P)²+2.0974P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0865
_reflns_Friedel_coverage         0.991
_reflns_Friedel_fraction_full    0.992
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                6732
_reflns_number_total             7729
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ra06793g2.cif
_cod_data_source_block           III
_cod_original_cell_volume        953.10(7)
_cod_database_code               7232025
_shelx_shelxl_version_number     2017/1
_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.
;
loop_
_space_group_symop_operation_xyz
'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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Tb1 Tb 0.69419(5) 0.71488(5) 0.93849(5) 0.0206(3) Uani 1 1 d . .
Tb2 Tb 1.02913(5) 0.56891(5) 1.01391(5) 0.0205(3) Uani 1 1 d . .
Cl1 Cl 0.3300(13) 0.3629(11) 0.5451(9) 0.065(3) Uani 1 1 d . .
Cl2 Cl 0.3768(12) -0.0826(9) 0.4133(9) 0.051(2) Uani 1 1 d . .
O1 O 0.5688(16) 0.5380(15) 1.0378(13) 0.024(4) Uani 1 1 d . U
O2 O 0.7862(18) 0.5060(18) 1.0439(16) 0.025(4) Uani 1 1 d . U
O3 O 0.715(3) -0.031(2) 0.982(2) 0.043(7) Uani 1 1 d . .
O4 O 0.5424(19) -0.165(2) 1.0664(19) 0.027(5) Uani 1 1 d . .
O5 O 0.055(2) -0.198(2) 1.170(2) 0.027(5) Uani 1 1 d . .
O6 O -0.169(2) -0.171(2) 1.1504(18) 0.027(5) Uani 1 1 d . .
O7 O 0.440(2) 0.605(2) 0.821(2) 0.036(6) Uani 1 1 d . .
O8 O 0.689(3) 0.767(3) 0.738(2) 0.048(6) Uani 1 1 d D .
O9 O 0.1429(16) -0.2671(16) 0.8935(13) 0.025(4) Uani 1 1 d . U
O10 O -0.0567(19) -0.2159(19) 0.9235(16) 0.030(5) Uani 1 1 d . U
O11 O 0.005(2) 0.312(2) 0.968(2) 0.035(6) Uani 1 1 d . .
O12 O 0.178(2) 0.453(2) 0.8886(18) 0.028(5) Uani 1 1 d . .
O13 O 0.676(2) 0.492(2) 0.783(2) 0.029(5) Uani 1 1 d . .
O14 O 0.890(2) 0.461(2) 0.800(2) 0.036(5) Uani 1 1 d . .
O15 O 1.020(3) 0.512(2) 1.220(2) 0.052(6) Uani 1 1 d . .
O16 O 1.278(2) 0.674(2) 1.131(2) 0.027(5) Uani 1 1 d D .
O17 O -0.366(2) -0.212(2) 1.3457(17) 0.088(6) Uani 1 1 d . U
O18 O 0.4299(13) 0.7670(11) 0.6162(10) 0.050(3) Uani 1 1 d . .
O19 O 0.831(4) 0.778(4) 0.533(4) 0.283(16) Uani 1 1 d . U
O20 O 1.052(2) 0.689(2) 0.4700(17) 0.123(6) Uani 1 1 d . .
O21 O 1.1276(19) 0.5653(19) 0.6268(16) 0.079(5) Uani 1 1 d . U
N1 N 0.190(2) 0.079(2) 1.3014(19) 0.025(5) Uani 1 1 d D .
H1A H 0.233561 0.010921 1.295493 0.030 Uiso 1 1 calc R U
H1B H 0.237716 0.156116 1.373538 0.030 Uiso 1 1 calc R U
N2 N 0.531(2) 0.197(2) 0.6398(18) 0.023(5) Uani 1 1 d D .
H2A H 0.481639 0.260227 0.643409 0.027 Uiso 1 1 calc R U
H2B H 0.490358 0.120962 0.566075 0.027 Uiso 1 1 calc R U
C1 C 0.652(3) 0.467(3) 1.060(3) 0.021(6) Uani 1 1 d . U
C2 C 0.580(2) 0.331(2) 1.094(2) 0.025(7) Uani 1 1 d D .
C3 C 0.643(2) 0.223(2) 1.078(2) 0.017(5) Uani 1 1 d D U
H3 H 0.741311 0.242970 1.057901 0.020 Uiso 1 1 calc R U
C4 C 0.558(3) 0.085(2) 1.092(3) 0.027(7) Uani 1 1 d D .
C5 C 0.609(3) -0.046(2) 1.051(2) 0.022(5) Uani 1 1 d D U
C6 C 0.417(3) 0.052(2) 1.128(3) 0.028(7) Uani 1 1 d D .
H6 H 0.356610 -0.045115 1.127565 0.033 Uiso 1 1 calc R U
C7 C 0.372(3) 0.173(2) 1.166(3) 0.023(6) Uani 1 1 d D .
C8 C 0.445(2) 0.305(3) 1.139(2) 0.024(7) Uani 1 1 d D U
H8 H 0.401636 0.378185 1.151164 0.028 Uiso 1 1 calc R U
C9 C 0.208(2) 0.135(2) 1.1877(18) 0.023(5) Uani 1 1 d D U
H9A H 0.182779 0.224817 1.202265 0.028 Uiso 1 1 calc R U
H9B H 0.140102 0.057957 1.111071 0.028 Uiso 1 1 calc R U
C10 C 0.030(2) 0.009(2) 1.312(2) 0.018(6) Uani 1 1 d D .
H10 H 0.025843 -0.019620 1.392560 0.021 Uiso 1 1 calc R U
C11 C -0.0588(17) 0.1103(17) 1.3153(18) 0.053(5) Uani 1 1 d . .
H11A H -0.010000 0.202817 1.385613 0.079 Uiso 1 1 calc R U
H11B H -0.160476 0.059189 1.328205 0.079 Uiso 1 1 calc R U
H11C H -0.062756 0.133407 1.234042 0.079 Uiso 1 1 calc R U
C12 C -0.036(3) -0.134(3) 1.198(2) 0.021(6) Uani 1 1 d . .
C13 C 0.070(4) -0.189(3) 0.891(3) 0.024(7) Uani 1 1 d . U
C14 C 0.142(2) -0.046(3) 0.853(2) 0.022(6) Uani 1 1 d D .
C15 C 0.091(3) 0.069(2) 0.886(3) 0.027(6) Uani 1 1 d D .
H15 H 0.001746 0.054483 0.922138 0.032 Uiso 1 1 calc R U
C16 C 0.166(2) 0.206(2) 0.868(2) 0.016(6) Uani 1 1 d D .
C17 C 0.113(3) 0.327(2) 0.917(2) 0.022(5) Uani 1 1 d . U
C18 C 0.297(2) 0.222(3) 0.822(2) 0.020(6) Uani 1 1 d D U
H18 H 0.346807 0.311667 0.802562 0.024 Uiso 1 1 calc R U
C19 C 0.364(3) 0.117(2) 0.800(3) 0.020(5) Uani 1 1 d D U
C20 C 0.279(2) -0.022(2) 0.811(3) 0.026(7) Uani 1 1 d D .
H20 H 0.313761 -0.101303 0.788285 0.031 Uiso 1 1 calc R U
C21 C 0.507(3) 0.136(2) 0.7501(18) 0.025(6) Uani 1 1 d D U
H21A H 0.516634 0.037943 0.725103 0.030 Uiso 1 1 calc R U
H21B H 0.589750 0.202212 0.821684 0.030 Uiso 1 1 calc R U
C22 C 0.691(2) 0.280(3) 0.634(3) 0.036(8) Uani 1 1 d D .
H22 H 0.748930 0.214483 0.637989 0.043 Uiso 1 1 calc R U
C23 C 0.6997(19) 0.3144(18) 0.5088(14) 0.053(5) Uani 1 1 d . .
H23A H 0.661324 0.393364 0.510628 0.079 Uiso 1 1 calc R U
H23B H 0.639336 0.224954 0.438795 0.079 Uiso 1 1 calc R U
H23C H 0.803733 0.347683 0.495381 0.079 Uiso 1 1 calc R U
C24 C 0.758(3) 0.422(3) 0.747(2) 0.025(7) Uani 1 1 d D .
H16A H 1.288(13) 0.729(12) 1.205(5) 0.037 Uiso 1 1 d D U
H16B H 1.358(8) 0.719(12) 1.108(10) 0.037 Uiso 1 1 d D U
H8B H 0.693(16) 0.730(11) 0.661(5) 0.037 Uiso 1 1 d D U
H8A H 0.732(16) 0.858(4) 0.749(11) 0.037 Uiso 1 1 d D U
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'
Cl Cl 0.1484 0.1585 '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
O10 Tb1 O1 124.2(6) 1_665 .
O10 Tb1 O13 83.0(7) 1_665 .
O1 Tb1 O13 79.5(6) . .
O10 Tb1 O6 72.7(6) 1_665 1_665
O1 Tb1 O6 79.5(6) . 1_665
O13 Tb1 O6 130.2(7) . 1_665
O10 Tb1 O8 80.0(7) 1_665 .
O1 Tb1 O8 141.8(7) . .
O13 Tb1 O8 74.5(8) . .
O6 Tb1 O8 138.6(8) 1_665 .
O10 Tb1 O3 90.3(7) 1_665 1_565
O1 Tb1 O3 129.0(6) . 1_565
O13 Tb1 O3 147.3(8) . 1_565
O6 Tb1 O3 76.8(8) 1_665 1_565
O8 Tb1 O3 72.8(9) . 1_565
O10 Tb1 O7 145.8(6) 1_665 .
O1 Tb1 O7 76.2(6) . .
O13 Tb1 O7 73.7(7) . .
O6 Tb1 O7 141.4(7) 1_665 .
O8 Tb1 O7 70.0(8) . .
O3 Tb1 O7 96.0(8) 1_565 .
O10 Tb1 O4 134.7(6) 1_665 1_565
O1 Tb1 O4 77.0(6) . 1_565
O13 Tb1 O4 142.3(7) . 1_565
O6 Tb1 O4 73.4(6) 1_665 1_565
O8 Tb1 O4 107.9(7) . 1_565
O3 Tb1 O4 53.1(7) 1_565 1_565
O7 Tb1 O4 72.3(7) . 1_565
O10 Tb1 C5 114.0(6) 1_665 1_565
O1 Tb1 C5 101.9(6) . 1_565
O13 Tb1 C5 156.1(7) . 1_565
O6 Tb1 C5 72.8(6) 1_665 1_565
O8 Tb1 C5 91.4(8) . 1_565
O3 Tb1 C5 27.7(7) 1_565 1_565
O7 Tb1 C5 83.4(7) . 1_565
O4 Tb1 C5 25.4(6) 1_565 1_565
O10 Tb1 C1 101.1(7) 1_665 .
O1 Tb1 C1 23.6(7) . .
O13 Tb1 C1 69.4(7) . .
O6 Tb1 C1 73.5(7) 1_665 .
O8 Tb1 C1 143.4(8) . .
O3 Tb1 C1 143.1(8) 1_565 .
O7 Tb1 C1 93.9(7) . .
O4 Tb1 C1 97.1(7) 1_565 .
C5 Tb1 C1 119.9(7) 1_565 .
O2 Tb2 O16 141.4(6) . .
O2 Tb2 O9 124.2(6) . 1_665
O16 Tb2 O9 81.4(6) . 1_665
O2 Tb2 O14 76.6(6) . .
O16 Tb2 O14 142.0(7) . .
O9 Tb2 O14 72.8(6) 1_665 .
O2 Tb2 O11 90.6(6) . 1_655
O16 Tb2 O11 96.1(7) . 1_655
O9 Tb2 O11 125.7(6) 1_665 1_655
O14 Tb2 O11 78.0(8) . 1_655
O2 Tb2 O12 137.6(6) . 1_655
O16 Tb2 O12 72.1(7) . 1_655
O9 Tb2 O12 74.8(5) 1_665 1_655
O14 Tb2 O12 74.5(7) . 1_655
O11 Tb2 O12 53.5(6) 1_655 1_655
O2 Tb2 O5 81.9(7) . 1_665
O16 Tb2 O5 73.0(7) . 1_665
O9 Tb2 O5 82.2(6) 1_665 1_665
O14 Tb2 O5 128.4(7) . 1_665
O11 Tb2 O5 149.0(7) 1_655 1_665
O12 Tb2 O5 140.5(7) 1_655 1_665
O2 Tb2 O15 73.5(7) . .
O16 Tb2 O15 72.1(8) . .
O9 Tb2 O15 149.3(7) 1_665 .
O14 Tb2 O15 137.9(8) . .
O11 Tb2 O15 73.5(8) 1_655 .
O12 Tb2 O15 110.2(7) 1_655 .
O5 Tb2 O15 75.5(7) 1_665 .
O2 Tb2 C17 114.6(6) . 1_655
O16 Tb2 C17 82.0(7) . 1_655
O9 Tb2 C17 102.6(6) 1_665 1_655
O14 Tb2 C17 77.2(7) . 1_655
O11 Tb2 C17 25.3(6) 1_655 1_655
O12 Tb2 C17 28.5(6) 1_655 1_655
O5 Tb2 C17 153.5(7) 1_665 1_655
O15 Tb2 C17 89.1(7) . 1_655
O2 Tb2 C13 102.6(7) . 1_665
O16 Tb2 C13 95.1(8) . 1_665
O9 Tb2 C13 23.0(7) 1_665 1_665
O14 Tb2 C13 71.1(7) . 1_665
O11 Tb2 C13 142.1(7) 1_655 1_665
O12 Tb2 C13 96.5(7) 1_655 1_665
O5 Tb2 C13 68.8(7) 1_665 1_665
O15 Tb2 C13 144.2(7) . 1_665
C17 Tb2 C13 123.0(7) 1_655 1_665
C1 O1 Tb1 109.7(16) . .
C1 O2 Tb2 178.3(18) . .
C5 O3 Tb1 94.0(13) . 1_545
C5 O4 Tb1 92.8(14) . 1_545
C12 O5 Tb2 132.4(17) . 1_445
C12 O6 Tb1 133.9(17) . 1_445
Tb1 O8 H8B 142(9) . .
Tb1 O8 H8A 111(8) . .
H8B O8 H8A 102(2) . .
C13 O9 Tb2 107.4(17) . 1_445
C13 O10 Tb1 168.0(19) . 1_445
C17 O11 Tb2 95.0(15) . 1_455
C17 O12 Tb2 90.9(13) . 1_455
C24 O13 Tb1 138.2(19) . .
C24 O14 Tb2 136.8(18) . .
Tb2 O16 H16A 115(9) . .
Tb2 O16 H16B 129(9) . .
H16A O16 H16B 101(2) . .
C10 N1 C9 112.2(19) . .
C10 N1 H1A 109.2 . .
C9 N1 H1A 109.2 . .
C10 N1 H1B 109.2 . .
C9 N1 H1B 109.2 . .
H1A N1 H1B 107.9 . .
C21 N2 C22 115(2) . .
C21 N2 H2A 108.5 . .
C22 N2 H2A 108.5 . .
C21 N2 H2B 108.5 . .
C22 N2 H2B 108.5 . .
H2A N2 H2B 107.5 . .
O2 C1 O1 122(3) . .
O2 C1 C2 121(2) . .
O1 C1 C2 117(2) . .
O2 C1 Tb1 75.9(16) . .
O1 C1 Tb1 46.7(12) . .
C2 C1 Tb1 160.3(19) . .
C8 C2 C3 119(2) . .
C8 C2 C1 120.3(19) . .
C3 C2 C1 120(2) . .
C2 C3 C4 118(2) . .
C2 C3 H3 121.2 . .
C4 C3 H3 121.2 . .
C6 C4 C3 123.7(19) . .
C6 C4 C5 115.9(18) . .
C3 C4 C5 120.1(18) . .
O4 C5 O3 120.1(19) . .
O4 C5 C4 122(2) . .
O3 C5 C4 116.6(19) . .
O4 C5 Tb1 61.8(12) . 1_545
O3 C5 Tb1 58.3(11) . 1_545
C4 C5 Tb1 171.1(16) . 1_545
C4 C6 C7 115.7(19) . .
C4 C6 H6 122.2 . .
C7 C6 H6 122.2 . .
C8 C7 C6 121(2) . .
C8 C7 C9 118.8(18) . .
C6 C7 C9 116.1(18) . .
C7 C8 C2 121(2) . .
C7 C8 H8 119.5 . .
C2 C8 H8 119.5 . .
N1 C9 C7 108.8(17) . .
N1 C9 H9A 109.9 . .
C7 C9 H9A 109.9 . .
N1 C9 H9B 109.9 . .
C7 C9 H9B 109.9 . .
H9A C9 H9B 108.3 . .
N1 C10 C11 114.4(18) . .
N1 C10 C12 105.8(19) . .
C11 C10 C12 111.7(19) . .
N1 C10 H10 108.2 . .
C11 C10 H10 108.2 . .
C12 C10 H10 108.2 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O6 C12 O5 130(2) . .
O6 C12 C10 116(2) . .
O5 C12 C10 113(2) . .
O9 C13 O10 123(3) . .
O9 C13 C14 118(3) . .
O10 C13 C14 119(2) . .
O9 C13 Tb2 49.6(13) . 1_445
O10 C13 Tb2 74.6(16) . 1_445
C14 C13 Tb2 161.3(18) . 1_445
C15 C14 C20 120(2) . .
C15 C14 C13 120.9(19) . .
C20 C14 C13 118.0(19) . .
C14 C15 C16 122(2) . .
C14 C15 H15 119.1 . .
C16 C15 H15 119.1 . .
C18 C16 C15 116(2) . .
C18 C16 C17 125.2(18) . .
C15 C16 C17 118.5(17) . .
O11 C17 O12 120(2) . .
O11 C17 C16 123(2) . .
O12 C17 C16 117.1(19) . .
O11 C17 Tb2 59.7(13) . 1_455
O12 C17 Tb2 60.6(11) . 1_455
C16 C17 Tb2 176.7(16) . 1_455
C16 C18 C19 126(2) . .
C16 C18 H18 117.2 . .
C19 C18 H18 117.2 . .
C20 C19 C18 116(2) . .
C20 C19 C21 119.0(18) . .
C18 C19 C21 124.5(18) . .
C19 C20 C14 121(2) . .
C19 C20 H20 119.6 . .
C14 C20 H20 119.6 . .
C19 C21 N2 118.8(19) . .
C19 C21 H21A 107.6 . .
N2 C21 H21A 107.6 . .
C19 C21 H21B 107.6 . .
N2 C21 H21B 107.6 . .
H21A C21 H21B 107.1 . .
N2 C22 C23 109(2) . .
N2 C22 C24 109.8(19) . .
C23 C22 C24 111(2) . .
N2 C22 H22 108.9 . .
C23 C22 H22 108.9 . .
C24 C22 H22 108.9 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O13 C24 O14 124(2) . .
O13 C24 C22 118(3) . .
O14 C24 C22 118(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O10 2.297(18) 1_665
Tb1 O1 2.348(14) .
Tb1 O13 2.38(2) .
Tb1 O6 2.380(19) 1_665
Tb1 O8 2.392(19) .
Tb1 O3 2.403(19) 1_565
Tb1 O7 2.43(2) .
Tb1 O4 2.485(19) 1_565
Tb1 C5 2.817(19) 1_565
Tb1 C1 3.04(3) .
Tb2 O2 2.285(17) .
Tb2 O16 2.387(18) .
Tb2 O9 2.397(14) 1_665
Tb2 O14 2.41(2) .
Tb2 O11 2.42(2) 1_655
Tb2 O12 2.430(18) 1_655
Tb2 O5 2.44(2) 1_665
Tb2 O15 2.47(2) .
Tb2 C17 2.79(2) 1_655
Tb2 C13 3.00(3) 1_665
O1 C1 1.29(3) .
O2 C1 1.26(3) .
O3 C5 1.31(3) .
O4 C5 1.21(3) .
O5 C12 1.26(3) .
O6 C12 1.24(3) .
O8 H8B 0.839(15) .
O8 H8A 0.838(15) .
O9 C13 1.23(3) .
O10 C13 1.26(4) .
O11 C17 1.20(3) .
O12 C17 1.33(3) .
O13 C24 1.25(3) .
O14 C24 1.26(3) .
O16 H16A 0.839(15) .
O16 H16B 0.839(15) .
N1 C10 1.488(12) .
N1 C9 1.494(12) .
N1 H1A 0.9100 .
N1 H1B 0.9100 .
N2 C21 1.492(12) .
N2 C22 1.499(12) .
N2 H2A 0.9100 .
N2 H2B 0.9100 .
C1 C2 1.47(3) .
C2 C8 1.391(12) .
C2 C3 1.395(12) .
C3 C4 1.403(12) .
C3 H3 0.9500 .
C4 C6 1.400(12) .
C4 C5 1.524(14) .
C6 C7 1.401(12) .
C6 H6 0.9500 .
C7 C8 1.387(12) .
C7 C9 1.54(3) .
C8 H8 0.9500 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.53(3) .
C10 C12 1.540(19) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C13 C14 1.54(3) .
C14 C15 1.386(12) .
C14 C20 1.397(12) .
C15 C16 1.389(12) .
C15 H15 0.9500 .
C16 C18 1.378(12) .
C16 C17 1.46(2) .
C18 C19 1.395(12) .
C18 H18 0.9500 .
C19 C20 1.391(12) .
C19 C21 1.49(3) .
C20 H20 0.9500 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.50(3) .
C22 C24 1.532(14) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
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
Tb1 O1 C1 O2 8(3) . .
Tb1 O1 C1 C2 -166.3(17) . .
O2 C1 C2 C8 166(3) . .
O1 C1 C2 C8 -19(4) . .
Tb1 C1 C2 C8 -50(6) . .
O2 C1 C2 C3 -16(4) . .
O1 C1 C2 C3 158(2) . .
Tb1 C1 C2 C3 128(5) . .
C8 C2 C3 C4 8(4) . .
C1 C2 C3 C4 -170(2) . .
C2 C3 C4 C6 -4(4) . .
C2 C3 C4 C5 169(2) . .
Tb1 O4 C5 O3 2(2) 1_545 .
Tb1 O4 C5 C4 171(2) 1_545 .
Tb1 O3 C5 O4 -2(3) 1_545 .
Tb1 O3 C5 C4 -171.6(18) 1_545 .
C6 C4 C5 O4 -10(4) . .
C3 C4 C5 O4 177(3) . .
C6 C4 C5 O3 160(3) . .
C3 C4 C5 O3 -13(4) . .
C3 C4 C6 C7 -7(4) . .
C5 C4 C6 C7 179(2) . .
C4 C6 C7 C8 15(4) . .
C4 C6 C7 C9 171(3) . .
C6 C7 C8 C2 -12(4) . .
C9 C7 C8 C2 -167(2) . .
C3 C2 C8 C7 -1(4) . .
C1 C2 C8 C7 177(2) . .
C10 N1 C9 C7 -167.6(18) . .
C8 C7 C9 N1 -136(2) . .
C6 C7 C9 N1 67(3) . .
C9 N1 C10 C11 -56(3) . .
C9 N1 C10 C12 68(3) . .
Tb1 O6 C12 O5 -38(5) 1_445 .
Tb1 O6 C12 C10 144.8(19) 1_445 .
Tb2 O5 C12 O6 -1(5) 1_445 .
Tb2 O5 C12 C10 176.1(17) 1_445 .
N1 C10 C12 O6 -146(2) . .
C11 C10 C12 O6 -21(3) . .
N1 C10 C12 O5 36(3) . .
C11 C10 C12 O5 161(2) . .
Tb2 O9 C13 O10 -13(3) 1_445 .
Tb2 O9 C13 C14 163.1(18) 1_445 .
Tb1 O10 C13 O9 -100(9) 1_445 .
Tb1 O10 C13 C14 84(9) 1_445 .
Tb1 O10 C13 Tb2 -110(9) 1_445 1_445
O9 C13 C14 C15 -159(2) . .
O10 C13 C14 C15 17(4) . .
Tb2 C13 C14 C15 -115(5) 1_445 .
O9 C13 C14 C20 7(4) . .
O10 C13 C14 C20 -177(3) . .
Tb2 C13 C14 C20 51(6) 1_445 .
C20 C14 C15 C16 5(4) . .
C13 C14 C15 C16 171(2) . .
C14 C15 C16 C18 -3(4) . .
C14 C15 C16 C17 -174(2) . .
Tb2 O11 C17 O12 -10(2) 1_455 .
Tb2 O11 C17 C16 178(2) 1_455 .
Tb2 O12 C17 O11 10(2) 1_455 .
Tb2 O12 C17 C16 -177.2(18) 1_455 .
C18 C16 C17 O11 -172(3) . .
C15 C16 C17 O11 -2(4) . .
C18 C16 C17 O12 15(4) . .
C15 C16 C17 O12 -174(2) . .
C15 C16 C18 C19 -5(4) . .
C17 C16 C18 C19 166(2) . .
C16 C18 C19 C20 9(4) . .
C16 C18 C19 C21 -180(3) . .
C18 C19 C20 C14 -7(4) . .
C21 C19 C20 C14 -178(3) . .
C15 C14 C20 C19 0(4) . .
C13 C14 C20 C19 -167(2) . .
C20 C19 C21 N2 126(3) . .
C18 C19 C21 N2 -45(4) . .
C22 N2 C21 C19 152(2) . .
C21 N2 C22 C23 171.7(19) . .
C21 N2 C22 C24 -66(3) . .
Tb1 O13 C24 O14 3(5) . .
Tb1 O13 C24 C22 -177(2) . .
Tb2 O14 C24 O13 38(4) . .
Tb2 O14 C24 C22 -142(2) . .
N2 C22 C24 O13 -37(4) . .
C23 C22 C24 O13 83(3) . .
N2 C22 C24 O14 142(3) . .
C23 C22 C24 O14 -97(3) . .
