#------------------------------------------------------------------------------
#$Date: 2019-09-04 10:57:19 +0300 (Wed, 04 Sep 2019) $
#$Revision: 217981 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/36/7233652.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_7233652
loop_
_publ_author_name
'Cheng-Hui Zeng'
'Jing-Ling Wang'
'Yang-Yi Yang'
'Tian-Shu Chu'
'Sheng-Liang Zhong'
'Seik Weng Ng'
'Wing-Tak Wong'
_publ_section_title
;
 Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum
 yields, and two photon luminescence
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2235
_journal_page_last               2242
_journal_paper_doi               10.1039/C3TC32309A
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C41 H33 N4 O6 Tb'
_chemical_formula_weight         836.63
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 129.649(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.5637(19)
_cell_length_b                   9.1926(2)
_cell_length_c                   26.6219(14)
_cell_measurement_reflns_used    7087
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      62.3717
_cell_measurement_theta_min      3.0533
_cell_volume                     7078.1(10)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            11744
_diffrn_reflns_theta_full        62.46
_diffrn_reflns_theta_max         62.46
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    10.277
_exptl_absorpt_correction_T_max  0.4264
_exptl_absorpt_correction_T_min  0.1485
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3360
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.721
_refine_diff_density_min         -1.009
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         5548
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0287
_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)+(0.0472P)²+1.8452P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                5230
_reflns_number_total             5548
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000002.cif
_cod_data_source_block           PCOD1000002
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        7078.1(9)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7233652
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 0.248269(5) 1.038951(17) 0.981895(7) 0.01436(8) Uani 1 1 d . . .
O1 O 0.18541(7) 1.1591(2) 0.88951(9) 0.0200(4) Uani 1 1 d . . .
O6 O 0.28462(8) 1.1130(2) 0.94092(11) 0.0260(5) Uani 1 1 d . . .
O4 O 0.20707(7) 0.8669(2) 0.98300(10) 0.0226(4) Uani 1 1 d . . .
O5 O 0.28116(7) 1.3189(2) 0.97895(10) 0.0255(5) Uani 1 1 d . . .
O3 O 0.30671(7) 0.8677(2) 1.01902(10) 0.0230(4) Uani 1 1 d . . .
O2 O 0.31047(7) 1.1068(2) 1.08531(10) 0.0268(5) Uani 1 1 d . . .
N4 N 0.21650(10) 0.8672(3) 0.88314(13) 0.0313(6) Uani 1 1 d U . .
C2 C 0.11883(10) 1.3093(3) 0.81842(13) 0.0182(6) Uani 1 1 d . . .
C28 C 0.30953(10) 1.3242(3) 0.91975(14) 0.0193(6) Uani 1 1 d . . .
C30 C 0.33536(14) 1.5512(4) 0.9062(2) 0.0362(9) Uani 1 1 d . . .
H30 H 0.3407 1.6507 0.9138 0.043 Uiso 1 1 calc R . .
C13 C 0.06865(12) 1.0128(4) 0.65526(16) 0.0288(7) Uani 1 1 d . . .
H13 H 0.0679 1.1105 0.6456 0.035 Uiso 1 1 calc R . .
C17 C 0.43359(12) 0.5388(3) 1.15022(17) 0.0277(8) Uani 1 1 d . . .
H17 H 0.4436 0.4499 1.1719 0.033 Uiso 1 1 calc R . .
C15 C 0.37084(10) 0.7061(3) 1.07488(14) 0.0178(6) Uani 1 1 d . . .
C37 C 0.33992(13) 0.8096(4) 0.78062(18) 0.0347(8) Uani 1 1 d . . .
H37 H 0.3461 0.7436 0.7606 0.042 Uiso 1 1 calc R . .
C3 C 0.09853(11) 1.4412(3) 0.81431(15) 0.0221(6) Uani 1 1 d . . .
H3 H 0.1164 1.5102 0.8470 0.026 Uiso 1 1 calc R . .
C21 C 0.41503(11) 1.0380(3) 1.04680(15) 0.0238(7) Uani 1 1 d . . .
C8 C 0.08937(10) 0.9711(3) 0.71892(15) 0.0209(7) Uani 1 1 d . . .
C7 C 0.09167(10) 1.2046(3) 0.76797(13) 0.0183(6) Uani 1 1 d . . .
C29 C 0.31770(12) 1.4738(3) 0.93027(18) 0.0280(7) Uani 1 1 d . . .
H29 H 0.3110 1.5223 0.9541 0.034 Uiso 1 1 calc R . .
C34 C 0.32142(12) 1.0095(4) 0.84015(16) 0.0233(6) Uani 1 1 d . . .
C20 C 0.40312(10) 0.8063(3) 1.08303(14) 0.0200(6) Uani 1 1 d . . .
C9 C 0.09080(11) 0.8244(3) 0.73261(16) 0.0253(7) Uani 1 1 d . . .
H9 H 0.1046 0.7949 0.7749 0.030 Uiso 1 1 calc R . .
C4 C 0.05274(12) 1.4717(3) 0.76327(17) 0.0282(7) Uani 1 1 d . . .
H4 H 0.0399 1.5605 0.7611 0.034 Uiso 1 1 calc R . .
C18 C 0.46497(10) 0.6390(4) 1.15970(15) 0.0268(7) Uani 1 1 d . . .
H18 H 0.4964 0.6179 1.1887 0.032 Uiso 1 1 calc R . .
C16 C 0.38722(11) 0.5739(3) 1.10797(15) 0.0227(6) Uani 1 1 d . . .
H16 H 0.3661 0.5067 1.1013 0.027 Uiso 1 1 calc R . .
C5 C 0.02608(10) 1.3669(4) 0.71500(15) 0.0275(7) Uani 1 1 d . . .
H5 H -0.0050 1.3854 0.6808 0.033 Uiso 1 1 calc R . .
C1 C 0.16768(10) 1.2847(3) 0.87766(13) 0.0182(6) Uani 1 1 d . . .
C25 C 0.43304(11) 1.2900(4) 1.04586(15) 0.0313(7) Uani 1 1 d . . .
H25 H 0.4279 1.3883 1.0473 0.038 Uiso 1 1 calc R . .
C14 C 0.32031(10) 0.7385(3) 1.03412(13) 0.0175(6) Uani 1 1 d . . .
C39 C 0.36507(12) 1.0036(4) 0.85765(17) 0.0290(7) Uani 1 1 d . . .
H39 H 0.3883 1.0663 0.8893 0.035 Uiso 1 1 calc R . .
C19 C 0.45018(10) 0.7692(3) 1.12678(15) 0.0249(7) Uani 1 1 d . . .
H19 H 0.4719 0.8344 1.1337 0.030 Uiso 1 1 calc R . .
C6 C 0.04490(10) 1.2371(3) 0.71714(14) 0.0226(6) Uani 1 1 d . . .
H6 H 0.0263 1.1691 0.6842 0.027 Uiso 1 1 calc R . .
C22 C 0.44667(12) 0.9969(4) 1.03834(17) 0.0302(7) Uani 1 1 d . . .
H22 H 0.4508 0.8990 1.0345 0.036 Uiso 1 1 calc R . .
C27 C 0.29067(10) 1.2501(3) 0.94748(13) 0.0209(6) Uani 1 1 d . . .
C26 C 0.40876(10) 1.1857(3) 1.05074(15) 0.0258(7) Uani 1 1 d . . .
H26 H 0.3880 1.2147 1.0567 0.031 Uiso 1 1 calc R . .
C38 C 0.37379(12) 0.9041(4) 0.82774(18) 0.0338(8) Uani 1 1 d . . .
H38 H 0.4030 0.9007 0.8396 0.041 Uiso 1 1 calc R . .
C33 C 0.31995(10) 1.2501(3) 0.88366(14) 0.0227(6) Uani 1 1 d . . .
C31 C 0.34511(14) 1.4788(4) 0.8707(2) 0.0352(9) Uani 1 1 d . . .
H31 H 0.3568 1.5306 0.8540 0.042 Uiso 1 1 calc R . .
C35 C 0.28721(12) 0.9147(4) 0.79291(17) 0.0305(7) Uani 1 1 d . . .
H35 H 0.2579 0.9181 0.7808 0.037 Uiso 1 1 calc R . .
C24 C 0.46521(12) 1.2471(4) 1.03882(15) 0.0333(8) Uani 1 1 d . . .
H24 H 0.4821 1.3163 1.0363 0.040 Uiso 1 1 calc R . .
C32 C 0.33780(11) 1.3316(4) 0.85960(16) 0.0283(7) Uani 1 1 d . . .
H32 H 0.3448 1.2852 0.8358 0.034 Uiso 1 1 calc R . .
C36 C 0.29672(13) 0.8149(4) 0.76372(17) 0.0338(8) Uani 1 1 d . . .
H36 H 0.2738 0.7510 0.7325 0.041 Uiso 1 1 calc R . .
C10 C 0.07175(12) 0.7217(4) 0.68340(18) 0.0326(8) Uani 1 1 d . . .
H10 H 0.0731 0.6236 0.6930 0.039 Uiso 1 1 calc R . .
C11 C 0.05075(12) 0.7639(4) 0.61998(18) 0.0347(8) Uani 1 1 d . . .
H11 H 0.0379 0.6947 0.5871 0.042 Uiso 1 1 calc R . .
C23 C 0.47179(12) 1.1010(4) 1.03565(16) 0.0334(8) Uani 1 1 d . . .
H23 H 0.4936 1.0721 1.0316 0.040 Uiso 1 1 calc R . .
C12 C 0.04912(12) 0.9097(4) 0.60617(16) 0.0341(8) Uani 1 1 d . . .
H12 H 0.0348 0.9389 0.5637 0.041 Uiso 1 1 calc R . .
N2 N 0.38819(9) 0.9366(3) 1.04916(14) 0.0255(6) Uani 1 1 d . . .
H2 H 0.3595 0.9577 1.0273 0.031 Uiso 1 1 calc R . .
N1 N 0.11065(9) 1.0731(3) 0.76994(12) 0.0216(5) Uani 1 1 d . . .
H1 H 0.1378 1.0522 0.8054 0.026 Uiso 1 1 calc R . .
N3 N 0.31092(10) 1.1032(3) 0.87105(14) 0.0296(6) Uani 1 1 d . . .
H3A H 0.2971 1.0637 0.8837 0.035 Uiso 1 1 calc R . .
C41 C 0.21034(11) 0.7644(4) 0.85491(15) 0.0285(7) Uani 1 1 d U . .
C40 C 0.20224(15) 0.6292(4) 0.81962(19) 0.0457(10) Uani 1 1 d . . .
H40A H 0.1751 0.6397 0.7748 0.069 Uiso 1 1 calc R . .
H40B H 0.1980 0.5504 0.8389 0.069 Uiso 1 1 calc R . .
H40C H 0.2284 0.6092 0.8221 0.069 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -9.1472 9.1891 '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
O4 Tb1 O2 111.29(8) . .
O4 Tb1 O6 146.56(7) . .
O2 Tb1 O6 91.73(8) . .
O4 Tb1 O1 96.08(7) . .
O2 Tb1 O1 135.29(7) . .
O6 Tb1 O1 82.49(7) . .
O4 Tb1 O5 82.01(8) . 7_577
O2 Tb1 O5 73.84(7) . 7_577
O6 Tb1 O5 129.05(7) . 7_577
O1 Tb1 O5 75.95(7) . 7_577
O4 Tb1 O3 89.38(7) . .
O2 Tb1 O3 73.32(7) . .
O6 Tb1 O3 73.89(7) . .
O1 Tb1 O3 143.90(7) . .
O5 Tb1 O3 140.11(7) 7_577 .
O4 Tb1 N4 73.08(8) . .
O2 Tb1 N4 146.82(8) . .
O6 Tb1 N4 74.50(8) . .
O1 Tb1 N4 73.72(8) . .
O5 Tb1 N4 137.97(8) 7_577 .
O3 Tb1 N4 73.88(8) . .
O4 Tb1 O5 161.82(7) . .
O2 Tb1 O5 70.24(7) . .
O6 Tb1 O5 48.34(6) . .
O1 Tb1 O5 73.20(7) . .
O5 Tb1 O5 81.14(7) 7_577 .
O3 Tb1 O5 107.99(6) . .
N4 Tb1 O5 116.19(8) . .
O4 Tb1 C27 166.52(8) . .
O2 Tb1 C27 81.80(8) . .
O6 Tb1 C27 23.59(8) . .
O1 Tb1 C27 75.47(7) . .
O5 Tb1 C27 105.55(8) 7_577 .
O3 Tb1 C27 91.51(7) . .
N4 Tb1 C27 94.25(8) . .
O5 Tb1 C27 24.82(7) . .
O4 Tb1 Tb1 127.23(5) . 7_577
O2 Tb1 Tb1 65.90(5) . 7_577
O6 Tb1 Tb1 83.70(5) . 7_577
O1 Tb1 Tb1 69.40(5) . 7_577
O5 Tb1 Tb1 45.58(5) 7_577 7_577
O3 Tb1 Tb1 132.44(5) . 7_577
N4 Tb1 Tb1 139.13(6) . 7_577
O5 Tb1 Tb1 35.56(4) . 7_577
C27 Tb1 Tb1 60.11(5) . 7_577
C1 O1 Tb1 135.36(18) . .
C27 O6 Tb1 109.38(17) . .
C14 O4 Tb1 161.79(19) 7_567 .
C27 O5 Tb1 169.5(2) . 7_577
C27 O5 Tb1 83.05(17) . .
Tb1 O5 Tb1 98.86(7) 7_577 .
C14 O3 Tb1 148.33(18) . .
C1 O2 Tb1 143.98(19) 7_577 .
C41 N4 Tb1 159.7(3) . .
C3 C2 C7 119.1(3) . .
C3 C2 C1 117.2(3) . .
C7 C2 C1 123.7(3) . .
C29 C28 C33 119.1(3) . .
C29 C28 C27 117.9(3) . .
C33 C28 C27 123.0(3) . .
C29 C30 C31 119.1(3) . .
C29 C30 H30 120.5 . .
C31 C30 H30 120.5 . .
C12 C13 C8 120.5(3) . .
C12 C13 H13 119.7 . .
C8 C13 H13 119.7 . .
C16 C17 C18 118.5(3) . .
C16 C17 H17 120.7 . .
C18 C17 H17 120.7 . .
C16 C15 C20 118.6(3) . .
C16 C15 C14 118.4(3) . .
C20 C15 C14 123.0(3) . .
C36 C37 C38 118.9(3) . .
C36 C37 H37 120.5 . .
C38 C37 H37 120.5 . .
C4 C3 C2 121.9(3) . .
C4 C3 H3 119.0 . .
C2 C3 H3 119.0 . .
C26 C21 C22 118.6(3) . .
C26 C21 N2 118.9(3) . .
C22 C21 N2 122.6(3) . .
C9 C8 C13 118.9(3) . .
C9 C8 N1 119.4(3) . .
C13 C8 N1 121.6(3) . .
N1 C7 C6 121.3(3) . .
N1 C7 C2 120.8(3) . .
C6 C7 C2 117.9(3) . .
C30 C29 C28 121.6(3) . .
C30 C29 H29 119.2 . .
C28 C29 H29 119.2 . .
C35 C34 C39 119.4(3) . .
C35 C34 N3 118.0(3) . .
C39 C34 N3 122.5(3) . .
N2 C20 C19 121.5(3) . .
N2 C20 C15 120.5(3) . .
C19 C20 C15 118.0(3) . .
C10 C9 C8 120.2(3) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C3 C4 C5 118.6(3) . .
C3 C4 H4 120.7 . .
C5 C4 H4 120.7 . .
C19 C18 C17 120.8(3) . .
C19 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
C17 C16 C15 122.6(3) . .
C17 C16 H16 118.7 . .
C15 C16 H16 118.7 . .
C6 C5 C4 121.1(3) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
O2 C1 O1 123.1(3) 7_577 .
O2 C1 C2 117.0(3) 7_577 .
O1 C1 C2 119.9(3) . .
C26 C25 C24 119.8(3) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
O3 C14 O4 122.5(3) . 7_567
O3 C14 C15 119.3(3) . .
O4 C14 C15 118.1(2) 7_567 .
C38 C39 C34 119.6(3) . .
C38 C39 H39 120.2 . .
C34 C39 H39 120.2 . .
C18 C19 C20 121.5(3) . .
C18 C19 H19 119.2 . .
C20 C19 H19 119.2 . .
C5 C6 C7 121.4(3) . .
C5 C6 H6 119.3 . .
C7 C6 H6 119.3 . .
C23 C22 C21 120.2(3) . .
C23 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
O5 C27 O6 118.9(3) . .
O5 C27 C28 121.8(3) . .
O6 C27 C28 119.3(3) . .
O5 C27 Tb1 72.13(15) . .
O6 C27 Tb1 47.03(13) . .
C28 C27 Tb1 165.7(2) . .
C25 C26 C21 120.9(3) . .
C25 C26 H26 119.5 . .
C21 C26 H26 119.5 . .
C37 C38 C39 121.3(3) . .
C37 C38 H38 119.4 . .
C39 C38 H38 119.4 . .
N3 C33 C32 121.7(3) . .
N3 C33 C28 120.1(3) . .
C32 C33 C28 118.1(3) . .
C32 C31 C30 121.1(3) . .
C32 C31 H31 119.5 . .
C30 C31 H31 119.5 . .
C36 C35 C34 120.1(3) . .
C36 C35 H35 120.0 . .
C34 C35 H35 120.0 . .
C23 C24 C25 119.3(3) . .
C23 C24 H24 120.4 . .
C25 C24 H24 120.4 . .
C31 C32 C33 121.1(3) . .
C31 C32 H32 119.5 . .
C33 C32 H32 119.5 . .
C37 C36 C35 120.6(3) . .
C37 C36 H36 119.7 . .
C35 C36 H36 119.7 . .
C9 C10 C11 120.6(3) . .
C9 C10 H10 119.7 . .
C11 C10 H10 119.7 . .
C12 C11 C10 119.3(3) . .
C12 C11 H11 120.3 . .
C10 C11 H11 120.3 . .
C22 C23 C24 121.2(3) . .
C22 C23 H23 119.4 . .
C24 C23 H23 119.4 . .
C11 C12 C13 120.4(3) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C20 N2 C21 126.8(3) . .
C20 N2 H2 116.6 . .
C21 N2 H2 116.6 . .
C7 N1 C8 125.6(3) . .
C7 N1 H1 117.2 . .
C8 N1 H1 117.2 . .
C33 N3 C34 128.5(3) . .
C33 N3 H3A 115.7 . .
C34 N3 H3A 115.7 . .
N4 C41 C40 178.4(4) . .
C41 C40 H40A 109.5 . .
C41 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C41 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O4 2.2264(19) .
Tb1 O2 2.285(2) .
Tb1 O6 2.3276(19) .
Tb1 O1 2.3309(19) .
Tb1 O5 2.343(2) 7_577
Tb1 O3 2.3463(19) .
Tb1 N4 2.612(3) .
Tb1 O5 2.877(2) .
Tb1 C27 3.001(3) .
Tb1 Tb1 3.9802(3) 7_577
O1 C1 1.268(4) .
O6 C27 1.273(4) .
O4 C14 1.267(3) 7_567
O5 C27 1.269(3) .
O5 Tb1 2.343(2) 7_577
O3 C14 1.254(4) .
O2 C1 1.268(4) 7_577
N4 C41 1.136(4) .
C2 C3 1.399(4) .
C2 C7 1.422(4) .
C2 C1 1.487(4) .
C28 C29 1.398(4) .
C28 C33 1.421(4) .
C28 C27 1.476(4) .
C30 C29 1.378(5) .
C30 C31 1.384(5) .
C30 H30 0.9300 .
C13 C12 1.385(5) .
C13 C8 1.393(5) .
C13 H13 0.9300 .
C17 C16 1.379(5) .
C17 C18 1.386(5) .
C17 H17 0.9300 .
C15 C16 1.393(4) .
C15 C20 1.424(4) .
C15 C14 1.497(4) .
C37 C36 1.381(5) .
C37 C38 1.382(5) .
C37 H37 0.9300 .
C3 C4 1.379(5) .
C3 H3 0.9300 .
C21 C26 1.394(5) .
C21 C22 1.395(5) .
C21 N2 1.404(4) .
C8 C9 1.390(4) .
C8 N1 1.406(4) .
C7 N1 1.387(4) .
C7 C6 1.405(4) .
C29 H29 0.9300 .
C34 C35 1.389(5) .
C34 C39 1.390(5) .
C34 N3 1.411(4) .
C20 N2 1.385(4) .
C20 C19 1.404(4) .
C9 C10 1.387(5) .
C9 H9 0.9300 .
C4 C5 1.393(5) .
C4 H4 0.9300 .
C18 C19 1.374(5) .
C18 H18 0.9300 .
C16 H16 0.9300 .
C5 C6 1.370(5) .
C5 H5 0.9300 .
C1 O2 1.268(4) 7_577
C25 C26 1.385(5) .
C25 C24 1.393(5) .
C25 H25 0.9300 .
C14 O4 1.267(3) 7_567
C39 C38 1.383(5) .
C39 H39 0.9300 .
C19 H19 0.9300 .
C6 H6 0.9300 .
C22 C23 1.377(5) .
C22 H22 0.9300 .
C26 H26 0.9300 .
C38 H38 0.9300 .
C33 N3 1.381(4) .
C33 C32 1.403(4) .
C31 C32 1.375(5) .
C31 H31 0.9300 .
C35 C36 1.388(5) .
C35 H35 0.9300 .
C24 C23 1.378(5) .
C24 H24 0.9300 .
C32 H32 0.9300 .
C36 H36 0.9300 .
C10 C11 1.387(5) .
C10 H10 0.9300 .
C11 C12 1.381(5) .
C11 H11 0.9300 .
C23 H23 0.9300 .
C12 H12 0.9300 .
N2 H2 0.8600 .
N1 H1 0.8600 .
N3 H3A 0.8600 .
C41 C40 1.467(5) .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
