#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019995.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_7019995
loop_
_publ_author_name
'Tan, Bin'
'Xie, Zai-Lai'
'Feng, Mei-Ling'
'Hu, Bing'
'Wu, Zhao-Feng'
'Huang, Xiao-Ying'
_publ_section_title
;
 Ionothermal syntheses, crystal structures and properties of
 three-dimensional rare earth metal-organic frameworks with
 1,4-naphthalenedicarboxylic acid.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10576
_journal_page_last               10584
_journal_paper_doi               10.1039/c2dt30944k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C36 H18 Cl O12 Tb2, C10 H19 N2'
_chemical_formula_sum            'C46 H37 Cl N2 O12 Tb2'
_chemical_formula_weight         1163.07
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 94.582(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6908(5)
_cell_length_b                   14.8181(5)
_cell_length_c                   15.8924(5)
_cell_measurement_reflns_used    11376
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4205
_cell_measurement_theta_min      2.3052
_cell_volume                     4152.8(2)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66
;
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω 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  0.0185
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17571
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         2.69
_exptl_absorpt_coefficient_mu    3.512
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68295
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
(compiled Apr 28 2010,14:27:37)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.448
_refine_diff_density_min         -1.300
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         8185
_refine_ls_number_restraints     945
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0316
_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)+(0.0364P)²+10.2027P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0799
_reflns_number_gt                6540
_reflns_number_total             8185
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30944k.txt
_cod_data_source_block           compound-8
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7019995
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.378340(11) 0.024710(14) -0.004440(12) 0.01434(7) Uani 1 1 d . . .
Tb2 Tb 0.117106(11) 0.011779(14) -0.001262(12) 0.01502(7) Uani 1 1 d . . .
Cl1 Cl 0.25211(7) -0.08281(8) 0.02495(8) 0.0309(3) Uani 1 1 d . . .
O1 O 0.4500(2) 0.1229(3) -0.0777(2) 0.0376(9) Uani 1 1 d . . .
O2 O 0.5753(2) 0.1053(2) -0.0652(2) 0.0372(9) Uani 1 1 d . . .
O3 O 0.3153(2) 0.1289(3) 0.0736(2) 0.0399(10) Uani 1 1 d . . .
O5 O 0.4701(2) 0.4287(3) -0.4026(2) 0.0411(10) Uani 1 1 d . . .
O4 O 0.19270(19) 0.1337(2) 0.0315(2) 0.0298(8) Uani 1 1 d . . .
O6 O 0.5951(2) 0.4313(3) -0.3846(2) 0.0399(10) Uani 1 1 d . . .
O7 O 0.29041(19) 0.4298(2) 0.3902(2) 0.0311(8) Uani 1 1 d . . .
O8 O 0.16653(18) 0.4547(2) 0.36966(19) 0.0265(8) Uani 1 1 d . . .
O9 O 0.06161(19) 0.0866(2) 0.1104(2) 0.0320(8) Uani 1 1 d . . .
O10 O -0.06361(19) 0.1003(2) 0.0871(2) 0.0326(9) Uani 1 1 d . . .
O11 O 0.0187(2) 0.4098(3) 0.4353(2) 0.0348(9) Uani 1 1 d . . .
O12 O -0.1025(2) 0.4030(3) 0.3933(2) 0.0367(9) Uani 1 1 d . . .
C1 C 0.5153(3) 0.1425(3) -0.0949(3) 0.0254(11) Uani 1 1 d . . .
C2 C 0.5225(3) 0.2165(3) -0.1592(3) 0.0240(11) Uani 1 1 d . . .
C3 C 0.4719(3) 0.2144(4) -0.2287(3) 0.0304(12) Uani 1 1 d . . .
H3A H 0.4347 0.1699 -0.2333 0.036 Uiso 1 1 calc R . .
C4 C 0.4752(3) 0.2786(4) -0.2935(3) 0.0298(12) Uani 1 1 d . . .
H4A H 0.4405 0.2757 -0.3405 0.036 Uiso 1 1 calc R . .
C5 C 0.5290(3) 0.3454(3) -0.2885(3) 0.0230(10) Uani 1 1 d . . .
C6 C 0.5805(3) 0.3534(3) -0.2147(3) 0.0224(10) Uani 1 1 d . . .
C7 C 0.5779(3) 0.2866(3) -0.1504(3) 0.0221(10) Uani 1 1 d . . .
C8 C 0.6295(3) 0.2938(4) -0.0778(3) 0.0321(12) Uani 1 1 d . . .
H8A H 0.6298 0.2500 -0.0359 0.039 Uiso 1 1 calc R . .
C9 C 0.6786(3) 0.3647(4) -0.0690(3) 0.0386(14) Uani 1 1 d . . .
H9A H 0.7117 0.3688 -0.0207 0.046 Uiso 1 1 calc R . .
C10 C 0.6801(3) 0.4309(4) -0.1308(3) 0.0384(14) Uani 1 1 d . . .
H10A H 0.7137 0.4790 -0.1230 0.046 Uiso 1 1 calc R . .
C11 C 0.6327(3) 0.4259(4) -0.2029(3) 0.0306(12) Uani 1 1 d . . .
H11A H 0.6346 0.4700 -0.2443 0.037 Uiso 1 1 calc R . .
C12 C 0.5314(3) 0.4072(3) -0.3633(3) 0.0267(11) Uani 1 1 d . . .
C13 C 0.2497(3) 0.1611(3) 0.0771(3) 0.0269(11) Uani 1 1 d . . .
C14 C 0.2400(3) 0.2329(3) 0.1416(3) 0.0246(11) Uani 1 1 d . . .
C15 C 0.2832(3) 0.2255(4) 0.2164(3) 0.0361(13) Uani 1 1 d . . .
H15A H 0.3178 0.1782 0.2236 0.043 Uiso 1 1 calc R . .
C16 C 0.2773(3) 0.2862(4) 0.2823(3) 0.0337(13) Uani 1 1 d . . .
H16A H 0.3080 0.2788 0.3321 0.040 Uiso 1 1 calc R . .
C17 C 0.2267(2) 0.3574(3) 0.2752(3) 0.0209(10) Uani 1 1 d . . .
C18 C 0.1794(2) 0.3680(3) 0.1981(3) 0.0177(9) Uani 1 1 d . . .
C19 C 0.1875(3) 0.3066(3) 0.1302(3) 0.0223(10) Uani 1 1 d . . .
C20 C 0.1437(3) 0.3217(4) 0.0528(3) 0.0341(13) Uani 1 1 d . . .
H20A H 0.1483 0.2824 0.0079 0.041 Uiso 1 1 calc R . .
C21 C 0.0947(3) 0.3930(4) 0.0432(3) 0.0357(13) Uani 1 1 d . . .
H21A H 0.0671 0.4025 -0.0083 0.043 Uiso 1 1 calc R . .
C22 C 0.0861(3) 0.4516(4) 0.1105(3) 0.0355(13) Uani 1 1 d . . .
H22A H 0.0522 0.4995 0.1036 0.043 Uiso 1 1 calc R . .
C23 C 0.1262(3) 0.4396(3) 0.1854(3) 0.0272(11) Uani 1 1 d . . .
H23A H 0.1190 0.4790 0.2297 0.033 Uiso 1 1 calc R . .
C24 C 0.2277(3) 0.4195(3) 0.3508(3) 0.0214(10) Uani 1 1 d . . .
C25 C 0.0000(3) 0.1246(3) 0.1207(3) 0.0254(11) Uani 1 1 d . . .
C26 C -0.0008(3) 0.2028(3) 0.1807(3) 0.0233(10) Uani 1 1 d . . .
C27 C 0.0397(3) 0.1949(4) 0.2577(3) 0.0326(12) Uani 1 1 d . . .
H27A H 0.0730 0.1468 0.2673 0.039 Uiso 1 1 calc R . .
C28 C 0.0316(3) 0.2581(4) 0.3223(3) 0.0326(13) Uani 1 1 d . . .
H28A H 0.0599 0.2517 0.3738 0.039 Uiso 1 1 calc R . .
C29 C -0.0176(3) 0.3293(3) 0.3098(3) 0.0253(11) Uani 1 1 d . . .
C30 C -0.0547(3) 0.3456(3) 0.2279(3) 0.0258(11) Uani 1 1 d . . .
C31 C -0.0462(3) 0.2810(3) 0.1628(3) 0.0239(10) Uani 1 1 d . . .
C32 C -0.0811(3) 0.2988(4) 0.0805(3) 0.0369(13) Uani 1 1 d . . .
H32A H -0.0771 0.2569 0.0375 0.044 Uiso 1 1 calc R . .
C33 C -0.1204(4) 0.3771(4) 0.0647(4) 0.0501(17) Uani 1 1 d . . .
H33A H -0.1424 0.3884 0.0106 0.060 Uiso 1 1 calc R . .
C34 C -0.1280(3) 0.4405(4) 0.1287(4) 0.0465(15) Uani 1 1 d . . .
H34A H -0.1546 0.4938 0.1165 0.056 Uiso 1 1 calc R . .
C35 C -0.0971(3) 0.4251(4) 0.2083(4) 0.0387(14) Uani 1 1 d . . .
H35A H -0.1039 0.4671 0.2505 0.046 Uiso 1 1 calc R . .
C36 C -0.0347(3) 0.3854(3) 0.3842(3) 0.0250(11) Uani 1 1 d . . .
N1A N 0.2341(5) -0.2679(6) 0.2708(6) 0.0658(13) Uani 0.614(4) 1 d PDU A 1
N2A N 0.3010(5) -0.1480(6) 0.2706(6) 0.0705(13) Uani 0.614(4) 1 d PDU A 1
C37A C 0.2826(6) -0.2699(10) 0.3402(7) 0.0690(14) Uani 0.614(4) 1 d PDU A 1
H37A H 0.2863 -0.3152 0.3808 0.083 Uiso 0.614(4) 1 calc PR A 1
C38A C 0.3233(7) -0.1973(8) 0.3402(6) 0.0716(13) Uani 0.614(4) 1 d PDU A 1
H38A H 0.3615 -0.1814 0.3811 0.086 Uiso 0.614(4) 1 calc PR A 1
C39A C 0.2459(6) -0.1930(6) 0.2284(6) 0.0675(13) Uani 0.614(4) 1 d PDU A 1
H39A H 0.2200 -0.1753 0.1779 0.081 Uiso 0.614(4) 1 calc PR A 1
C40A C 0.1781(6) -0.3378(8) 0.2471(8) 0.072(2) Uani 0.614(4) 1 d PDU A 1
H40A H 0.1508 -0.3219 0.1946 0.109 Uiso 0.614(4) 1 calc PR A 1
H40B H 0.1433 -0.3429 0.2902 0.109 Uiso 0.614(4) 1 calc PR A 1
H40C H 0.2034 -0.3945 0.2411 0.109 Uiso 0.614(4) 1 calc PR A 1
C41A C 0.3290(6) -0.0590(8) 0.2409(7) 0.0780(13) Uani 0.614(4) 1 d PDU A 1
H41A H 0.2853 -0.0200 0.2308 0.094 Uiso 0.614(4) 1 calc PR A 1
H41B H 0.3492 -0.0692 0.1867 0.094 Uiso 0.614(4) 1 calc PR A 1
C43A C 0.3496(7) 0.0406(10) 0.3713(8) 0.0889(15) Uani 0.614(4) 1 d PDU A 1
H43A H 0.3257 -0.0025 0.4067 0.107 Uiso 0.614(4) 1 calc PR A 1
H43B H 0.3135 0.0869 0.3520 0.107 Uiso 0.614(4) 1 calc PR A 1
C42A C 0.3886(7) -0.0067(9) 0.2954(7) 0.0807(14) Uani 0.614(4) 1 d PDU A 1
H42A H 0.4114 0.0388 0.2616 0.097 Uiso 0.614(4) 1 calc PR A 1
H42B H 0.4282 -0.0473 0.3178 0.097 Uiso 0.614(4) 1 calc PR A 1
C44A C 0.4264(7) 0.0817(10) 0.4161(7) 0.0946(16) Uani 0.614(4) 1 d PDU A 1
H44A H 0.4672 0.0396 0.4079 0.114 Uiso 0.614(4) 1 calc PR A 1
H44B H 0.4377 0.1370 0.3871 0.114 Uiso 0.614(4) 1 calc PR A 1
C45A C 0.4278(8) 0.1029(11) 0.5126(7) 0.101(2) Uani 0.614(4) 1 d PDU A 1
H45A H 0.4315 0.0471 0.5447 0.122 Uiso 0.614(4) 1 calc PR A 1
H45B H 0.4717 0.1397 0.5298 0.122 Uiso 0.614(4) 1 calc PR A 1
C46A C 0.3540(9) 0.1539(12) 0.5308(10) 0.124(3) Uani 0.614(4) 1 d PDU A 1
H46A H 0.3568 0.1719 0.5890 0.187 Uiso 0.614(4) 1 calc PR A 1
H46B H 0.3111 0.1150 0.5191 0.187 Uiso 0.614(4) 1 calc PR A 1
H46C H 0.3485 0.2065 0.4956 0.187 Uiso 0.614(4) 1 calc PR A 1
N1B N 0.2071(7) -0.2818(7) 0.2287(9) 0.0658(13) Uani 0.386(4) 1 d PDU A 2
N2B N 0.2909(7) -0.2072(9) 0.2968(9) 0.0705(13) Uani 0.386(4) 1 d PDU A 2
C37B C 0.2163(9) -0.3218(11) 0.3052(9) 0.0690(14) Uani 0.386(4) 1 d PDU A 2
H37B H 0.1910 -0.3719 0.3242 0.083 Uiso 0.386(4) 1 calc PR A 2
C38B C 0.2686(10) -0.2739(11) 0.3459(12) 0.0716(13) Uani 0.386(4) 1 d PDU A 2
H38B H 0.2879 -0.2844 0.4012 0.086 Uiso 0.386(4) 1 calc PR A 2
C39B C 0.2533(7) -0.2106(9) 0.2234(9) 0.0675(13) Uani 0.386(4) 1 d PDU A 2
H39B H 0.2573 -0.1724 0.1776 0.081 Uiso 0.386(4) 1 calc PR A 2
C40B C 0.1522(9) -0.3150(12) 0.1612(10) 0.072(2) Uani 0.386(4) 1 d PDU A 2
H40D H 0.1540 -0.2774 0.1122 0.109 Uiso 0.386(4) 1 calc PR A 2
H40E H 0.1020 -0.3134 0.1803 0.109 Uiso 0.386(4) 1 calc PR A 2
H40F H 0.1646 -0.3759 0.1471 0.109 Uiso 0.386(4) 1 calc PR A 2
C41B C 0.3500(9) -0.1418(11) 0.3262(10) 0.0780(13) Uani 0.386(4) 1 d PDU A 2
H41C H 0.3971 -0.1723 0.3440 0.094 Uiso 0.386(4) 1 calc PR A 2
H41D H 0.3340 -0.1064 0.3730 0.094 Uiso 0.386(4) 1 calc PR A 2
C42B C 0.3591(13) -0.0822(11) 0.2489(10) 0.0807(14) Uani 0.386(4) 1 d PDU A 2
H42C H 0.4108 -0.0776 0.2331 0.097 Uiso 0.386(4) 1 calc PR A 2
H42D H 0.3242 -0.0964 0.2005 0.097 Uiso 0.386(4) 1 calc PR A 2
C43B C 0.3341(12) -0.0029(14) 0.3020(12) 0.0889(15) Uani 0.386(4) 1 d PDU A 2
H43C H 0.2835 -0.0161 0.3182 0.107 Uiso 0.386(4) 1 calc PR A 2
H43D H 0.3301 0.0500 0.2659 0.107 Uiso 0.386(4) 1 calc PR A 2
C44B C 0.3849(13) 0.0232(14) 0.3847(13) 0.0946(16) Uani 0.386(4) 1 d PDU A 2
H44C H 0.3877 -0.0282 0.4227 0.114 Uiso 0.386(4) 1 calc PR A 2
H44D H 0.4360 0.0359 0.3698 0.114 Uiso 0.386(4) 1 calc PR A 2
C45B C 0.3551(11) 0.1060(14) 0.4319(13) 0.101(2) Uani 0.386(4) 1 d PDU A 2
H45C H 0.3351 0.1496 0.3904 0.122 Uiso 0.386(4) 1 calc PR A 2
H45D H 0.3134 0.0866 0.4636 0.122 Uiso 0.386(4) 1 calc PR A 2
C46B C 0.4141(15) 0.1530(16) 0.4924(16) 0.124(3) Uani 0.386(4) 1 d PDU A 2
H46D H 0.4532 0.1780 0.4609 0.187 Uiso 0.386(4) 1 calc PR A 2
H46E H 0.4360 0.1099 0.5324 0.187 Uiso 0.386(4) 1 calc PR A 2
H46F H 0.3902 0.2004 0.5217 0.187 Uiso 0.386(4) 1 calc PR A 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'
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
O7 Tb1 O1 79.29(12) 4_565 .
O7 Tb1 O5 145.42(14) 4_565 4_566
O1 Tb1 O5 77.33(14) . 4_566
O7 Tb1 O6 77.68(13) 4_565 2_644
O1 Tb1 O6 80.79(15) . 2_644
O5 Tb1 O6 122.60(13) 4_566 2_644
O7 Tb1 O3 82.42(13) 4_565 .
O1 Tb1 O3 99.01(15) . .
O5 Tb1 O3 76.53(13) 4_566 .
O6 Tb1 O3 159.79(13) 2_644 .
O7 Tb1 O2 141.21(13) 4_565 3_655
O1 Tb1 O2 124.95(13) . 3_655
O5 Tb1 O2 73.35(14) 4_566 3_655
O6 Tb1 O2 77.48(14) 2_644 3_655
O3 Tb1 O2 117.45(14) . 3_655
O7 Tb1 Cl1 77.67(9) 4_565 .
O1 Tb1 Cl1 156.53(9) . .
O5 Tb1 Cl1 125.25(11) 4_566 .
O6 Tb1 Cl1 89.98(11) 2_644 .
O3 Tb1 Cl1 82.33(10) . .
O2 Tb1 Cl1 73.01(9) 3_655 .
O11 Tb2 O4 96.36(13) 4_565 .
O11 Tb2 O10 80.88(14) 4_565 3
O4 Tb2 O10 155.60(13) . 3
O11 Tb2 O8 80.15(12) 4_565 4_565
O4 Tb2 O8 77.24(12) . 4_565
O10 Tb2 O8 78.40(12) 3 4_565
O11 Tb2 O9 75.11(12) 4_565 .
O4 Tb2 O9 74.29(12) . .
O10 Tb2 O9 127.26(12) 3 .
O8 Tb2 O9 139.52(13) 4_565 .
O11 Tb2 O12 122.98(13) 4_565 2_545
O4 Tb2 O12 117.82(13) . 2_545
O10 Tb2 O12 82.86(13) 3 2_545
O8 Tb2 O12 147.35(13) 4_565 2_545
O9 Tb2 O12 72.69(13) . 2_545
O11 Tb2 Cl1 161.79(9) 4_565 .
O4 Tb2 Cl1 83.34(9) . .
O10 Tb2 Cl1 91.87(9) 3 .
O8 Tb2 Cl1 82.05(9) 4_565 .
O9 Tb2 Cl1 121.84(9) . .
O12 Tb2 Cl1 72.04(9) 2_545 .
Tb2 Cl1 Tb1 112.00(4) . .
C1 O1 Tb1 144.8(3) . .
C1 O2 Tb1 142.7(3) . 3_655
C13 O3 Tb1 139.4(3) . .
C12 O5 Tb1 164.3(4) . 4_565
C13 O4 Tb2 144.3(3) . .
C12 O6 Tb1 128.0(3) . 2_654
C24 O7 Tb1 158.9(3) . 4_566
C24 O8 Tb2 133.1(3) . 4_566
C25 O9 Tb2 136.6(3) . .
C25 O10 Tb2 140.1(3) . 3
C36 O11 Tb2 162.5(4) . 4_566
C36 O12 Tb2 112.7(3) . 2
O1 C1 O2 126.0(5) . .
O1 C1 C2 116.7(4) . .
O2 C1 C2 117.4(4) . .
C3 C2 C7 119.8(4) . .
C3 C2 C1 116.5(4) . .
C7 C2 C1 123.8(4) . .
C2 C3 C4 120.9(5) . .
C2 C3 H3A 119.5 . .
C4 C3 H3A 119.5 . .
C5 C4 C3 121.0(4) . .
C5 C4 H4A 119.5 . .
C3 C4 H4A 119.5 . .
C4 C5 C6 120.1(4) . .
C4 C5 C12 117.2(4) . .
C6 C5 C12 122.8(4) . .
C11 C6 C7 119.2(4) . .
C11 C6 C5 122.4(4) . .
C7 C6 C5 118.4(4) . .
C8 C7 C6 118.4(4) . .
C8 C7 C2 121.9(4) . .
C6 C7 C2 119.7(4) . .
C9 C8 C7 120.4(5) . .
C9 C8 H8A 119.8 . .
C7 C8 H8A 119.8 . .
C8 C9 C10 121.4(5) . .
C8 C9 H9A 119.3 . .
C10 C9 H9A 119.3 . .
C11 C10 C9 120.5(5) . .
C11 C10 H10A 119.7 . .
C9 C10 H10A 119.7 . .
C10 C11 C6 120.1(5) . .
C10 C11 H11A 120.0 . .
C6 C11 H11A 120.0 . .
O5 C12 O6 123.7(5) . .
O5 C12 C5 118.3(4) . .
O6 C12 C5 118.0(4) . .
O3 C13 O4 123.3(5) . .
O3 C13 C14 117.1(4) . .
O4 C13 C14 119.5(4) . .
C15 C14 C19 118.9(4) . .
C15 C14 C13 116.8(5) . .
C19 C14 C13 124.3(4) . .
C14 C15 C16 122.2(5) . .
C14 C15 H15A 118.9 . .
C16 C15 H15A 118.9 . .
C15 C16 C17 121.4(5) . .
C15 C16 H16A 119.3 . .
C17 C16 H16A 119.3 . .
C16 C17 C18 118.8(4) . .
C16 C17 C24 115.7(4) . .
C18 C17 C24 125.5(4) . .
C19 C18 C23 118.3(4) . .
C19 C18 C17 119.3(4) . .
C23 C18 C17 122.4(4) . .
C20 C19 C18 118.4(4) . .
C20 C19 C14 122.2(4) . .
C18 C19 C14 119.5(4) . .
C21 C20 C19 121.1(5) . .
C21 C20 H20A 119.5 . .
C19 C20 H20A 119.5 . .
C20 C21 C22 120.2(5) . .
C20 C21 H21A 119.9 . .
C22 C21 H21A 119.9 . .
C23 C22 C21 120.8(5) . .
C23 C22 H22A 119.6 . .
C21 C22 H22A 119.6 . .
C22 C23 C18 121.3(5) . .
C22 C23 H23A 119.4 . .
C18 C23 H23A 119.4 . .
O7 C24 O8 125.5(4) . .
O7 C24 C17 115.5(4) . .
O8 C24 C17 119.1(4) . .
O9 C25 O10 125.2(5) . .
O9 C25 C26 118.9(4) . .
O10 C25 C26 115.8(5) . .
C27 C26 C31 119.6(4) . .
C27 C26 C25 118.0(5) . .
C31 C26 C25 122.3(4) . .
C26 C27 C28 121.2(5) . .
C26 C27 H27A 119.4 . .
C28 C27 H27A 119.4 . .
C29 C28 C27 120.5(5) . .
C29 C28 H28A 119.7 . .
C27 C28 H28A 119.8 . .
C28 C29 C30 120.0(4) . .
C28 C29 C36 118.7(5) . .
C30 C29 C36 121.2(5) . .
C35 C30 C31 118.9(5) . .
C35 C30 C29 122.4(5) . .
C31 C30 C29 118.6(5) . .
C32 C31 C30 118.5(5) . .
C32 C31 C26 122.0(5) . .
C30 C31 C26 119.4(4) . .
C33 C32 C31 120.2(5) . .
C33 C32 H32A 119.9 . .
C31 C32 H32A 119.9 . .
C32 C33 C34 120.9(6) . .
C32 C33 H33A 119.5 . .
C34 C33 H33A 119.5 . .
C35 C34 C33 120.6(6) . .
C35 C34 H34A 119.7 . .
C33 C34 H34A 119.7 . .
C34 C35 C30 120.8(5) . .
C34 C35 H35A 119.6 . .
C30 C35 H35A 119.6 . .
O11 C36 O12 123.3(4) . .
O11 C36 C29 118.9(5) . .
O12 C36 C29 117.7(4) . .
C39A N1A C37A 108.8(12) . .
C39A N1A C40A 126.5(11) . .
C37A N1A C40A 124.8(9) . .
C39A N2A C38A 107.3(10) . .
C39A N2A C41A 122.3(8) . .
C38A N2A C41A 130.3(11) . .
C38A C37A N1A 107.4(13) . .
C38A C37A H37A 126.3 . .
N1A C37A H37A 126.3 . .
C37A C38A N2A 108.8(13) . .
C37A C38A H38A 125.6 . .
N2A C38A H38A 125.6 . .
N2A C39A N1A 107.7(10) . .
N2A C39A H39A 126.1 . .
N1A C39A H39A 126.1 . .
N1A C40A H40A 109.5 . .
N1A C40A H40B 109.5 . .
H40A C40A H40B 109.5 . .
N1A C40A H40C 109.5 . .
H40A C40A H40C 109.5 . .
H40B C40A H40C 109.5 . .
N2A C41A C42A 120.1(11) . .
N2A C41A H41A 107.3 . .
C42A C41A H41A 107.3 . .
N2A C41A H41B 107.3 . .
C42A C41A H41B 107.3 . .
H41A C41A H41B 106.9 . .
C42A C43A C44A 95.7(8) . .
C42A C43A H43A 112.6 . .
C44A C43A H43A 112.6 . .
C42A C43A H43B 112.6 . .
C44A C43A H43B 112.6 . .
H43A C43A H43B 110.1 . .
C41A C42A C43A 109.4(10) . .
C41A C42A H42A 109.8 . .
C43A C42A H42A 109.8 . .
C41A C42A H42B 109.8 . .
C43A C42A H42B 109.8 . .
H42A C42A H42B 108.2 . .
C45A C44A C43A 117.3(9) . .
C45A C44A H44A 108.0 . .
C43A C44A H44A 108.0 . .
C45A C44A H44B 108.0 . .
C43A C44A H44B 108.0 . .
H44A C44A H44B 107.2 . .
C46A C45A C44A 109.4(9) . .
C46A C45A H45A 109.8 . .
C44A C45A H45A 109.8 . .
C46A C45A H45B 109.8 . .
C44A C45A H45B 109.8 . .
H45A C45A H45B 108.2 . .
C45A C46A H46A 109.5 . .
C45A C46A H46B 109.5 . .
H46A C46A H46B 109.5 . .
C45A C46A H46C 109.5 . .
H46A C46A H46C 109.5 . .
H46B C46A H46C 109.5 . .
C39B N1B C37B 111.8(16) . .
C39B N1B C40B 125.9(14) . .
C37B N1B C40B 122.3(11) . .
C39B N2B C38B 110.0(12) . .
C39B N2B C41B 127.7(12) . .
C38B N2B C41B 122.3(13) . .
C38B C37B N1B 103.9(16) . .
C38B C37B H37B 128.1 . .
N1B C37B H37B 128.1 . .
C37B C38B N2B 110.1(16) . .
C37B C38B H38B 124.9 . .
N2B C38B H38B 124.9 . .
N2B C39B N1B 104.2(12) . .
N2B C39B H39B 127.9 . .
N1B C39B H39B 127.9 . .
N1B C40B H40D 109.5 . .
N1B C40B H40E 109.5 . .
H40D C40B H40E 109.5 . .
N1B C40B H40F 109.5 . .
H40D C40B H40F 109.5 . .
H40E C40B H40F 109.5 . .
N2B C41B C42B 104.0(13) . .
N2B C41B H41C 111.0 . .
C42B C41B H41C 111.0 . .
N2B C41B H41D 111.0 . .
C42B C41B H41D 111.0 . .
H41C C41B H41D 109.0 . .
C43B C42B C41B 86.9(13) . .
C43B C42B H42C 114.2 . .
C41B C42B H42C 114.2 . .
C43B C42B H42D 114.2 . .
C41B C42B H42D 114.2 . .
H42C C42B H42D 111.3 . .
C42B C43B C44B 118.4(13) . .
C42B C43B H43C 107.7 . .
C44B C43B H43C 107.7 . .
C42B C43B H43D 107.7 . .
C44B C43B H43D 107.7 . .
H43C C43B H43D 107.1 . .
C45B C44B C43B 113.7(12) . .
C45B C44B H44C 108.8 . .
C43B C44B H44C 108.8 . .
C45B C44B H44D 108.8 . .
C43B C44B H44D 108.8 . .
H44C C44B H44D 107.7 . .
C46B C45B C44B 114.9(11) . .
C46B C45B H45C 108.5 . .
C44B C45B H45C 108.5 . .
C46B C45B H45D 108.5 . .
C44B C45B H45D 108.5 . .
H45C C45B H45D 107.5 . .
C45B C46B H46D 109.5 . .
C45B C46B H46E 109.5 . .
H46D C46B H46E 109.5 . .
C45B C46B H46F 109.5 . .
H46D C46B H46F 109.5 . .
H46E C46B H46F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O7 2.294(3) 4_565
Tb1 O1 2.305(3) .
Tb1 O5 2.305(3) 4_566
Tb1 O6 2.320(3) 2_644
Tb1 O3 2.320(3) .
Tb1 O2 2.338(3) 3_655
Tb1 Cl1 2.8125(12) .
Tb2 O11 2.263(3) 4_565
Tb2 O4 2.283(3) .
Tb2 O10 2.305(3) 3
Tb2 O8 2.346(3) 4_565
Tb2 O9 2.371(3) .
Tb2 O12 2.384(3) 2_545
Tb2 Cl1 2.7718(12) .
O1 C1 1.244(6) .
O2 C1 1.254(6) .
O2 Tb1 2.338(3) 3_655
O3 C13 1.261(6) .
O5 C12 1.248(6) .
O5 Tb1 2.305(3) 4_565
O4 C13 1.261(6) .
O6 C12 1.255(6) .
O6 Tb1 2.320(3) 2_654
O7 C24 1.239(5) .
O7 Tb1 2.294(3) 4_566
O8 C24 1.259(5) .
O8 Tb2 2.346(3) 4_566
O9 C25 1.248(6) .
O10 C25 1.259(6) .
O10 Tb2 2.305(3) 3
O11 C36 1.249(6) .
O11 Tb2 2.263(3) 4_566
O12 C36 1.246(6) .
O12 Tb2 2.384(3) 2
C1 C2 1.510(6) .
C2 C3 1.366(7) .
C2 C7 1.428(7) .
C3 C4 1.407(7) .
C3 H3A 0.9300 .
C4 C5 1.370(7) .
C4 H4A 0.9300 .
C5 C6 1.431(6) .
C5 C12 1.503(6) .
C6 C11 1.419(7) .
C6 C7 1.427(6) .
C7 C8 1.416(6) .
C8 C9 1.362(7) .
C8 H8A 0.9300 .
C9 C10 1.389(8) .
C9 H9A 0.9300 .
C10 C11 1.368(7) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C13 C14 1.496(6) .
C14 C15 1.367(7) .
C14 C19 1.436(7) .
C15 C16 1.391(7) .
C15 H15A 0.9300 .
C16 C17 1.382(7) .
C16 H16A 0.9300 .
C17 C18 1.436(6) .
C17 C24 1.512(6) .
C18 C19 1.427(6) .
C18 C23 1.422(6) .
C19 C20 1.417(7) .
C20 C21 1.367(7) .
C20 H20A 0.9300 .
C21 C22 1.395(7) .
C21 H21A 0.9300 .
C22 C23 1.349(7) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C25 C26 1.503(6) .
C26 C27 1.372(7) .
C26 C31 1.425(7) .
C27 C28 1.406(7) .
C27 H27A 0.9300 .
C28 C29 1.372(7) .
C28 H28A 0.9300 .
C29 C30 1.432(7) .
C29 C36 1.495(6) .
C30 C35 1.418(7) .
C30 C31 1.426(7) .
C31 C32 1.426(7) .
C32 C33 1.365(8) .
C32 H32A 0.9300 .
C33 C34 1.400(9) .
C33 H33A 0.9300 .
C34 C35 1.358(8) .
C34 H34A 0.9300 .
C35 H35A 0.9300 .
N1A C39A 1.323(9) .
N1A C37A 1.343(9) .
N1A C40A 1.462(13) .
N2A C39A 1.318(12) .
N2A C38A 1.357(9) .
N2A C41A 1.499(13) .
C37A C38A 1.295(18) .
C37A H37A 0.9300 .
C38A H38A 0.9300 .
C39A H39A 0.9300 .
C40A H40A 0.9600 .
C40A H40B 0.9600 .
C40A H40C 0.9600 .
C41A C42A 1.521(9) .
C41A H41A 0.9700 .
C41A H41B 0.9700 .
C43A C42A 1.598(9) .
C43A C44A 1.604(9) .
C43A H43A 0.9700 .
C43A H43B 0.9700 .
C42A H42A 0.9700 .
C42A H42B 0.9700 .
C44A C45A 1.564(9) .
C44A H44A 0.9700 .
C44A H44B 0.9700 .
C45A C46A 1.557(9) .
C45A H45A 0.9700 .
C45A H45B 0.9700 .
C46A H46A 0.9600 .
C46A H46B 0.9600 .
C46A H46C 0.9600 .
N1B C39B 1.341(10) .
N1B C37B 1.350(10) .
N1B C40B 1.473(15) .
N2B C39B 1.297(13) .
N2B C38B 1.339(10) .
N2B C41B 1.473(14) .
C37B C38B 1.30(2) .
C37B H37B 0.9300 .
C38B H38B 0.9300 .
C39B H39B 0.9300 .
C40B H40D 0.9600 .
C40B H40E 0.9600 .
C40B H40F 0.9600 .
C41B C42B 1.533(10) .
C41B H41C 0.9700 .
C41B H41D 0.9700 .
C42B C43B 1.533(10) .
C42B H42C 0.9700 .
C42B H42D 0.9700 .
C43B C44B 1.580(10) .
C43B H43C 0.9700 .
C43B H43D 0.9700 .
C44B C45B 1.553(10) .
C44B H44C 0.9700 .
C44B H44D 0.9700 .
C45B C46B 1.529(10) .
C45B H45C 0.9700 .
C45B H45D 0.9700 .
C46B H46D 0.9600 .
C46B H46E 0.9600 .
C46B H46F 0.9600 .
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
O11 Tb2 Cl1 Tb1 63.8(3) 4_565
O4 Tb2 Cl1 Tb1 -26.32(10) .
O10 Tb2 Cl1 Tb1 129.68(10) 3
O8 Tb2 Cl1 Tb1 51.67(9) 4_565
O9 Tb2 Cl1 Tb1 -93.15(11) .
O12 Tb2 Cl1 Tb1 -148.44(11) 2_545
O7 Tb1 Cl1 Tb2 -38.98(10) 4_565
O1 Tb1 Cl1 Tb2 -50.1(3) .
O5 Tb1 Cl1 Tb2 112.37(12) 4_566
O6 Tb1 Cl1 Tb2 -116.37(10) 2_644
O3 Tb1 Cl1 Tb2 44.88(11) .
O2 Tb1 Cl1 Tb2 166.72(12) 3_655
O7 Tb1 O1 C1 -154.3(6) 4_565
O5 Tb1 O1 C1 51.4(6) 4_566
O6 Tb1 O1 C1 -75.2(6) 2_644
O3 Tb1 O1 C1 125.3(6) .
O2 Tb1 O1 C1 -7.6(7) 3_655
Cl1 Tb1 O1 C1 -143.2(5) .
O7 Tb1 O3 C13 31.3(6) 4_565
O1 Tb1 O3 C13 109.1(6) .
O5 Tb1 O3 C13 -176.3(6) 4_566
O6 Tb1 O3 C13 21.3(9) 2_644
O2 Tb1 O3 C13 -113.5(6) 3_655
Cl1 Tb1 O3 C13 -47.2(6) .
O11 Tb2 O4 C13 162.4(6) 4_565
O10 Tb2 O4 C13 -115.7(6) 3
O8 Tb2 O4 C13 -119.2(6) 4_565
O9 Tb2 O4 C13 89.8(6) .
O12 Tb2 O4 C13 29.7(6) 2_545
Cl1 Tb2 O4 C13 -35.9(6) .
O11 Tb2 O9 C25 17.0(5) 4_565
O4 Tb2 O9 C25 118.2(5) .
O10 Tb2 O9 C25 -48.9(5) 3
O8 Tb2 O9 C25 71.2(5) 4_565
O12 Tb2 O9 C25 -115.3(5) 2_545
Cl1 Tb2 O9 C25 -170.3(4) .
Tb1 O1 C1 O2 -4.6(10) .
Tb1 O1 C1 C2 173.9(4) .
Tb1 O2 C1 O1 18.0(10) 3_655
Tb1 O2 C1 C2 -160.4(4) 3_655
O1 C1 C2 C3 -42.8(7) .
O2 C1 C2 C3 135.8(5) .
O1 C1 C2 C7 137.0(5) .
O2 C1 C2 C7 -44.4(7) .
C7 C2 C3 C4 2.2(8) .
C1 C2 C3 C4 -178.0(5) .
C2 C3 C4 C5 -0.5(9) .
C3 C4 C5 C6 -3.0(8) .
C3 C4 C5 C12 176.1(5) .
C4 C5 C6 C11 -174.3(5) .
C12 C5 C6 C11 6.7(8) .
C4 C5 C6 C7 4.6(7) .
C12 C5 C6 C7 -174.5(5) .
C11 C6 C7 C8 -1.8(7) .
C5 C6 C7 C8 179.3(5) .
C11 C6 C7 C2 176.1(5) .
C5 C6 C7 C2 -2.8(7) .
C3 C2 C7 C8 177.3(5) .
C1 C2 C7 C8 -2.5(8) .
C3 C2 C7 C6 -0.5(8) .
C1 C2 C7 C6 179.7(5) .
C6 C7 C8 C9 2.0(8) .
C2 C7 C8 C9 -175.9(5) .
C7 C8 C9 C10 -0.7(9) .
C8 C9 C10 C11 -0.8(9) .
C9 C10 C11 C6 0.9(9) .
C7 C6 C11 C10 0.4(8) .
C5 C6 C11 C10 179.3(5) .
Tb1 O5 C12 O6 20.4(18) 4_565
Tb1 O5 C12 C5 -156.8(11) 4_565
Tb1 O6 C12 O5 2.7(8) 2_654
Tb1 O6 C12 C5 179.8(3) 2_654
C4 C5 C12 O5 36.4(7) .
C6 C5 C12 O5 -144.5(5) .
C4 C5 C12 O6 -140.9(5) .
C6 C5 C12 O6 38.2(7) .
Tb1 O3 C13 O4 4.2(9) .
Tb1 O3 C13 C14 -178.0(4) .
Tb2 O4 C13 O3 61.8(8) .
Tb2 O4 C13 C14 -115.9(5) .
O3 C13 C14 C15 -35.0(7) .
O4 C13 C14 C15 142.9(5) .
O3 C13 C14 C19 146.6(5) .
O4 C13 C14 C19 -35.6(8) .
C19 C14 C15 C16 0.9(9) .
C13 C14 C15 C16 -177.6(5) .
C14 C15 C16 C17 0.3(9) .
C15 C16 C17 C18 0.2(8) .
C15 C16 C17 C24 -178.5(5) .
C16 C17 C18 C19 -1.9(7) .
C24 C17 C18 C19 176.7(4) .
C16 C17 C18 C23 -179.6(5) .
C24 C17 C18 C23 -1.1(7) .
C23 C18 C19 C20 1.7(7) .
C17 C18 C19 C20 -176.1(4) .
C23 C18 C19 C14 -179.2(4) .
C17 C18 C19 C14 3.0(7) .
C15 C14 C19 C20 176.5(5) .
C13 C14 C19 C20 -5.1(8) .
C15 C14 C19 C18 -2.5(7) .
C13 C14 C19 C18 175.9(4) .
C18 C19 C20 C21 -0.1(8) .
C14 C19 C20 C21 -179.2(5) .
C19 C20 C21 C22 -1.2(9) .
C20 C21 C22 C23 0.8(9) .
C21 C22 C23 C18 0.9(8) .
C19 C18 C23 C22 -2.2(7) .
C17 C18 C23 C22 175.6(5) .
Tb1 O7 C24 O8 7.0(13) 4_566
Tb1 O7 C24 C17 -171.6(7) 4_566
Tb2 O8 C24 O7 -35.6(7) 4_566
Tb2 O8 C24 C17 143.0(3) 4_566
C16 C17 C24 O7 33.2(7) .
C18 C17 C24 O7 -145.4(5) .
C16 C17 C24 O8 -145.5(5) .
C18 C17 C24 O8 35.9(7) .
Tb2 O9 C25 O10 35.1(8) .
Tb2 O9 C25 C26 -148.1(4) .
Tb2 O10 C25 O9 3.0(9) 3
Tb2 O10 C25 C26 -173.9(3) 3
O9 C25 C26 C27 -44.9(7) .
O10 C25 C26 C27 132.2(5) .
O9 C25 C26 C31 139.8(5) .
O10 C25 C26 C31 -43.1(7) .
C31 C26 C27 C28 6.3(8) .
C25 C26 C27 C28 -169.2(5) .
C26 C27 C28 C29 0.4(9) .
C27 C28 C29 C30 -7.2(8) .
C27 C28 C29 C36 169.3(5) .
C28 C29 C30 C35 -170.5(5) .
C36 C29 C30 C35 13.1(7) .
C28 C29 C30 C31 7.0(7) .
C36 C29 C30 C31 -169.4(4) .
C35 C30 C31 C32 -0.4(7) .
C29 C30 C31 C32 -178.0(4) .
C35 C30 C31 C26 177.2(5) .
C29 C30 C31 C26 -0.4(7) .
C27 C26 C31 C32 171.3(5) .
C25 C26 C31 C32 -13.4(7) .
C27 C26 C31 C30 -6.1(7) .
C25 C26 C31 C30 169.1(4) .
C30 C31 C32 C33 1.4(8) .
C26 C31 C32 C33 -176.1(5) .
C31 C32 C33 C34 -0.9(9) .
C32 C33 C34 C35 -0.7(10) .
C33 C34 C35 C30 1.7(9) .
C31 C30 C35 C34 -1.2(8) .
C29 C30 C35 C34 176.3(5) .
Tb2 O11 C36 O12 -97.0(12) 4_566
Tb2 O11 C36 C29 85.4(12) 4_566
Tb2 O12 C36 O11 11.7(6) 2
Tb2 O12 C36 C29 -170.7(3) 2
C28 C29 C36 O11 45.1(7) .
C30 C29 C36 O11 -138.5(5) .
C28 C29 C36 O12 -132.6(5) .
C30 C29 C36 O12 43.8(7) .
C39A N1A C37A C38A 0.1(2) .
C40A N1A C37A C38A 180.0(2) .
N1A C37A C38A N2A 0.1(3) .
C39A N2A C38A C37A -0.2(3) .
C41A N2A C38A C37A 179.7(2) .
C38A N2A C39A N1A 0.2(3) .
C41A N2A C39A N1A -179.6(2) .
C37A N1A C39A N2A -0.2(3) .
C40A N1A C39A N2A 179.9(2) .
C39A N2A C41A C42A 175.3(8) .
C38A N2A C41A C42A -4.5(9) .
N2A C41A C42A C43A -76.4(13) .
C44A C43A C42A C41A 176.6(11) .
C42A C43A C44A C45A -156.1(12) .
C43A C44A C45A C46A -46.3(19) .
C39B N1B C37B C38B -0.1(2) .
C40B N1B C37B C38B 179.9(2) .
N1B C37B C38B N2B 0.0(3) .
C39B N2B C38B C37B 0.1(3) .
C41B N2B C38B C37B -179.9(2) .
C38B N2B C39B N1B -0.2(3) .
C41B N2B C39B N1B 179.9(2) .
C37B N1B C39B N2B 0.2(3) .
C40B N1B C39B N2B -179.8(2) .
C39B N2B C41B C42B -2.7(12) .
C38B N2B C41B C42B 177.4(12) .
N2B C41B C42B C43B 118.6(11) .
C41B C42B C43B C44B 62(2) .
C42B C43B C44B C45B 178(2) .
C43B C44B C45B C46B -160(2) .
