#------------------------------------------------------------------------------
#$Date: 2017-05-06 00:33:01 +0300 (Sat, 06 May 2017) $
#$Revision: 196276 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/98/7119878.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_7119878
loop_
_publ_author_name
'Alexandropoulos, Dimitris I.'
'Poole, Katye M.'
'Cunha-Silva, Luis'
'Ahmad Sheikh, Javeed'
'Wernsdorfer, Wolfgang'
'Christou, George'
'Stamatatos, Theocharis C.'
_publ_section_title
;
 A family of 'windmill'-like {Cu6Ln12} complexes exhibiting
 single-molecule magnetism behavior and large magnetic entropy changes.
;
_journal_issue                   30
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4266
_journal_page_last               4269
_journal_paper_doi               10.1039/c7cc01382e
_journal_volume                  53
_journal_year                    2017
_chemical_formula_moiety         'C54 H110 Cu6 N44 O74 Tb12, 2(OH)'
_chemical_formula_sum            'C54 H112 Cu6 N44 O76 Tb12'
_chemical_formula_weight         4882.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             '09 February 2017'
_audit_creation_method           'SHELXL-2014/7 and enCIFer'
_audit_update_record
;
2017-02-09 deposited with the CCDC.
2017-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.363(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.4892(17)
_cell_length_b                   23.007(2)
_cell_length_c                   28.190(3)
_cell_measurement_reflns_used    7461
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.78
_cell_measurement_theta_min      3.82
_cell_volume                     11563.0(19)
_computing_cell_refinement       'SAINT (Bruker AXS Inc., 2012)'
_computing_data_collection       'APEX2 (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT (Bruker AXS Inc., 2012)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0619
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            164413
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.028
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.676
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.219
_exptl_absorpt_correction_T_max  0.629
_exptl_absorpt_correction_T_min  0.360
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
'SADABS V2012/1 (Bruker AXS Inc.)' 
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_description       block
_exptl_crystal_F_000             4612
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_refine_diff_density_max         3.306
_refine_diff_density_min         -2.001
_refine_diff_density_rms         0.277
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.777
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     871
_refine_ls_number_reflns         20204
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.777
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0736
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0725P)²+1073.5249P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1714
_refine_ls_wR_factor_ref         0.1913
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16215
_reflns_number_total             20204
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc01382e2.cif
_cod_data_source_block           da2360a_sq
_cod_depositor_comments
'Adding full bibliography for 7119878--7119880.cif.'
_cod_database_code               7119878
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.431
_shelx_estimated_absorpt_t_max   0.654
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Tb1 Tb 0.09344(3) 0.50815(3) 0.09312(2) 0.02090(14) Uani 1 1 d . .
Tb2 Tb 0.11122(3) 0.44607(3) -0.03202(2) 0.01996(14) Uani 1 1 d . .
Tb3 Tb -0.04994(3) 0.39390(3) 0.02316(2) 0.02165(14) Uani 1 1 d . .
Tb5 Tb 0.29783(3) 0.55660(3) 0.14130(2) 0.02811(16) Uani 1 1 d . .
Tb4 Tb 0.24422(4) 0.32117(3) 0.01852(2) 0.02826(16) Uani 1 1 d . .
Tb6 Tb -0.08676(4) 0.24720(3) -0.04376(3) 0.03343(17) Uani 1 1 d . .
Cu2 Cu 0.30601(8) 0.47276(7) -0.00110(6) 0.0267(3) Uani 1 1 d . .
Cu3 Cu 0.13626(9) 0.62924(7) 0.17125(6) 0.0280(4) Uani 1 1 d . .
Cu1 Cu 0.05526(10) 0.27226(7) 0.07741(6) 0.0300(4) Uani 1 1 d . .
O22 O 0.5249(6) 0.6000(7) 0.1925(5) 0.071(4) Uani 1 1 d . U
O27 O 0.2740(6) 0.2322(5) 0.0744(4) 0.045(3) Uani 1 1 d . .
O3 O -0.0337(4) 0.4777(3) 0.0761(3) 0.0123(15) Uani 1 1 d . .
O2 O 0.0145(4) 0.5853(4) 0.0518(3) 0.0221(18) Uani 1 1 d . .
O37 O 0.0985(5) 0.4287(4) 0.1510(3) 0.033(2) Uani 1 1 d . .
O16 O -0.2231(7) 0.2300(7) -0.0394(6) 0.081(5) Uani 1 1 d . .
O35 O 0.1298(5) 0.3458(4) -0.0306(3) 0.027(2) Uani 1 1 d . .
O28 O 0.1654(6) 0.2328(4) 0.0252(4) 0.039(2) Uani 1 1 d . .
O15 O -0.1918(8) 0.2157(6) -0.1938(4) 0.071(4) Uani 1 1 d . .
O20 O 0.4185(5) 0.5775(5) 0.2052(3) 0.042(3) Uani 1 1 d . .
O9 O 0.2696(5) 0.5732(4) 0.0574(3) 0.033(2) Uani 1 1 d . .
O36 O 0.0867(5) 0.4164(4) -0.1180(3) 0.034(2) Uani 1 1 d . .
O30 O 0.2636(12) 0.2448(5) -0.0338(7) 0.105(7) Uani 1 1 d . .
O5 O 0.0131(5) 0.3040(4) 0.0118(3) 0.0263(19) Uani 1 1 d . .
O1 O 0.1290(4) 0.5304(3) 0.0186(3) 0.0154(16) Uani 1 1 d . .
O4 O 0.0770(4) 0.4244(4) 0.0435(3) 0.0206(18) Uani 1 1 d . .
O34 O -0.2363(5) 0.5730(4) -0.0244(3) 0.027(2) Uani 1 1 d . .
O10 O 0.1712(4) 0.5954(4) 0.1183(3) 0.0229(18) Uani 1 1 d . .
O7 O 0.1940(5) 0.3455(4) 0.0834(3) 0.033(2) Uani 1 1 d . .
O19 O 0.2172(5) 0.4793(4) 0.1162(3) 0.028(2) Uani 1 1 d . .
O8 O 0.3008(5) 0.3539(4) -0.0417(4) 0.039(2) Uani 1 1 d . .
O32 O -0.1350(5) 0.3362(4) -0.0329(3) 0.030(2) Uani 1 1 d . .
O11 O 0.2682(5) 0.5555(4) 0.2172(3) 0.034(2) Uani 1 1 d . .
O12 O 0.0247(5) 0.6940(5) 0.0907(3) 0.035(2) Uani 1 1 d . .
O33 O -0.1600(6) 0.3887(5) 0.0558(4) 0.040(2) Uani 1 1 d . .
O26 O 0.3070(6) 0.6623(5) 0.1489(4) 0.047(3) Uani 1 1 d . .
O13 O -0.1837(6) 0.2609(5) -0.1248(4) 0.047(3) Uani 1 1 d . .
O17 O -0.1282(12) 0.1420(7) -0.0462(6) 0.107(7) Uani 1 1 d . .
O14 O -0.1039(6) 0.1942(5) -0.1274(4) 0.043(3) Uani 1 1 d . .
O31 O 0.3694(6) 0.3361(5) 0.0695(4) 0.047(3) Uani 1 1 d . .
O18 O 0.0246(7) 0.1873(5) -0.0299(4) 0.048(3) Uani 1 1 d . .
O23 O 0.3754(5) 0.4760(5) 0.1162(4) 0.048(3) Uani 1 1 d . .
O21 O 0.4280(6) 0.5898(6) 0.1313(4) 0.050(3) Uani 1 1 d . .
O6 O -0.0951(6) 0.2203(5) 0.0346(4) 0.049(3) Uani 1 1 d . .
O29 O 0.1978(7) 0.1616(5) 0.0763(5) 0.052(3) Uani 1 1 d . .
O24 O 0.3581(7) 0.4641(6) 0.1884(4) 0.054(3) Uani 1 1 d . .
O25 O 0.4131(7) 0.3954(6) 0.1576(4) 0.059(3) Uani 1 1 d . .
N10 N 0.0684(7) 0.5315(6) 0.2092(5) 0.044(3) Uani 1 1 d . .
N3 N -0.0726(9) 0.3062(7) 0.1606(5) 0.056(4) Uani 1 1 d . .
N15 N -0.1606(7) 0.2222(6) -0.1498(5) 0.042(3) Uani 1 1 d . .
N22 N 0.2433(9) 0.4836(8) -0.1403(5) 0.065(5) Uani 1 1 d . .
N7 N 0.3370(6) 0.4048(5) -0.0366(4) 0.031(3) Uani 1 1 d . .
N17 N 0.3831(7) 0.4442(6) 0.1545(5) 0.044(3) Uani 1 1 d . .
N16 N 0.4566(8) 0.5898(6) 0.1753(5) 0.047(3) Uani 1 1 d . .
N14 N 0.0544(6) 0.6838(5) 0.1415(4) 0.033(3) Uani 1 1 d . .
N6 N 0.1581(7) 0.3065(5) 0.1066(4) 0.031(3) Uani 1 1 d . .
N9 N 0.0595(6) 0.5494(5) 0.1683(4) 0.030(3) Uani 1 1 d . .
N11 N 0.0739(10) 0.5125(7) 0.2476(5) 0.061(4) Uani 1 1 d . .
N12 N 0.2191(6) 0.5940(5) 0.2250(4) 0.031(3) Uani 1 1 d . .
N18 N 0.3818(6) 0.5084(5) -0.0276(4) 0.027(2) Uani 1 1 d . .
N13 N 0.1166(6) 0.6629(5) 0.2295(4) 0.029(2) Uani 1 1 d . .
N5 N 0.0862(6) 0.2326(5) 0.1391(4) 0.033(3) Uani 1 1 d . .
N2 N -0.0411(8) 0.3256(6) 0.1345(4) 0.043(3) Uani 1 1 d . .
N19 N 0.2117(7) 0.2074(5) 0.0593(5) 0.036(3) Uani 1 1 d . .
N8 N 0.3132(5) 0.5528(5) 0.0285(4) 0.027(2) Uani 1 1 d . .
N21 N 0.2260(6) 0.4893(6) -0.1046(5) 0.038(3) Uani 1 1 d . .
N20 N 0.2077(6) 0.4964(5) -0.0666(4) 0.031(3) Uani 1 1 d . .
N1 N -0.0074(7) 0.3449(5) 0.1063(4) 0.034(3) Uani 1 1 d . .
N4 N -0.0321(8) 0.2193(5) 0.0720(5) 0.042(3) Uani 1 1 d . .
C27 C -0.0948(11) 0.1515(8) 0.1163(7) 0.063(6) Uani 1 1 d . .
H27A H -0.1302 0.1756 0.1280 0.095 Uiso 1 1 calc R U
H27B H -0.0763 0.1201 0.1398 0.095 Uiso 1 1 calc R U
H27C H -0.1202 0.1348 0.0842 0.095 Uiso 1 1 calc R U
C22 C 0.3622(9) 0.6541(7) 0.0275(6) 0.040(4) Uani 1 1 d . U
H22A H 0.3116 0.6703 0.0218 0.059 Uiso 1 1 calc R U
H22B H 0.3892 0.6745 0.0069 0.059 Uiso 1 1 calc R U
H22C H 0.3891 0.6589 0.0623 0.059 Uiso 1 1 calc R U
C17 C 0.3842(8) 0.4146(6) -0.0621(5) 0.032(3) Uani 1 1 d . .
C23 C 0.2685(8) 0.3118(7) 0.1780(5) 0.036(3) Uani 1 1 d . U
H23A H 0.3052 0.3011 0.1601 0.054 Uiso 1 1 calc R U
H23B H 0.2824 0.2937 0.2107 0.054 Uiso 1 1 calc R U
H23C H 0.2677 0.3541 0.1815 0.054 Uiso 1 1 calc R U
C3 C 0.1504(8) 0.2472(7) 0.1710(5) 0.039(4) Uani 1 1 d . .
C24 C 0.1742(8) 0.2225(7) 0.2185(5) 0.039(4) Uani 1 1 d . .
H24 H 0.2211 0.2319 0.2408 0.047 Uiso 1 1 calc R U
C21 C 0.4509(8) 0.5914(6) -0.0378(6) 0.039(4) Uani 1 1 d . .
H21 H 0.4627 0.6312 -0.0312 0.047 Uiso 1 1 calc R U
C4 C 0.1938(8) 0.2914(6) 0.1507(5) 0.032(3) Uani 1 1 d . .
C19 C 0.4658(8) 0.4992(8) -0.0770(6) 0.045(4) Uani 1 1 d . .
H19 H 0.4894 0.4760 -0.0965 0.054 Uiso 1 1 calc R U
C2 C 0.0385(8) 0.1946(6) 0.1517(5) 0.036(3) Uani 1 1 d . .
C9 C -0.0437(9) 0.7510(7) 0.1537(7) 0.047(4) Uani 1 1 d . .
H9A H -0.0583 0.7548 0.1178 0.070 Uiso 1 1 calc R U
H9B H -0.0309 0.7894 0.1687 0.070 Uiso 1 1 calc R U
H9C H -0.0856 0.7347 0.1646 0.070 Uiso 1 1 calc R U
C14 C 0.3569(7) 0.5903(6) 0.0147(5) 0.033(3) Uani 1 1 d . .
C16 C 0.4128(7) 0.4759(7) -0.0559(5) 0.034(3) Uani 1 1 d . .
C20 C 0.4837(8) 0.5597(8) -0.0685(6) 0.047(4) Uani 1 1 d . .
H20 H 0.5178 0.5779 -0.0838 0.056 Uiso 1 1 calc R U
C1 C -0.0315(10) 0.1873(7) 0.1115(7) 0.047(4) Uani 1 1 d . .
C5 C 0.2182(7) 0.6041(6) 0.2701(5) 0.030(3) Uani 1 1 d . .
C8 C 0.0211(7) 0.7127(5) 0.1688(5) 0.023(3) Uani 1 1 d . .
C26 C 0.0551(10) 0.1675(8) 0.1952(6) 0.050(4) Uani 1 1 d . U
H26 H 0.0228 0.1389 0.2028 0.060 Uiso 1 1 calc R U
C25 C 0.1251(9) 0.1839(8) 0.2304(5) 0.046(4) Uani 1 1 d . .
H25 H 0.1371 0.1674 0.2625 0.055 Uiso 1 1 calc R U
C18 C 0.4070(9) 0.3724(9) -0.0948(7) 0.057(5) Uani 1 1 d . .
H18A H 0.3885 0.3337 -0.0895 0.086 Uiso 1 1 calc R U
H18B H 0.4618 0.3716 -0.0876 0.086 Uiso 1 1 calc R U
H18C H 0.3857 0.3840 -0.1292 0.086 Uiso 1 1 calc R U
C13 C 0.2694(10) 0.5777(8) 0.3149(6) 0.047(4) Uani 1 1 d . .
H13A H 0.3083 0.5550 0.3055 0.071 Uiso 1 1 calc R U
H13B H 0.2405 0.5521 0.3309 0.071 Uiso 1 1 calc R U
H13C H 0.2929 0.6085 0.3378 0.071 Uiso 1 1 calc R U
C11 C 0.0854(8) 0.7072(7) 0.3106(5) 0.037(3) Uani 1 1 d . .
H11 H 0.0756 0.7240 0.3391 0.044 Uiso 1 1 calc R U
C15 C 0.4005(7) 0.5632(6) -0.0171(5) 0.032(3) Uani 1 1 d . .
C7 C 0.0594(8) 0.7015(6) 0.2240(5) 0.032(3) Uani 1 1 d . .
C6 C 0.1588(7) 0.6472(6) 0.2728(5) 0.030(3) Uani 1 1 d . .
C10 C 0.0404(8) 0.7232(7) 0.2632(5) 0.039(4) Uani 1 1 d . .
H10 H -0.0015 0.7484 0.2595 0.046 Uiso 1 1 calc R U
C12 C 0.1433(9) 0.6676(7) 0.3158(6) 0.043(4) Uani 1 1 d . .
H12 H 0.1714 0.6547 0.3473 0.052 Uiso 1 1 calc R U
O38 O 0.2229(10) 0.4429(8) 0.2351(6) 0.094(5) Uani 1 1 d . .
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'
Cu Cu 0.3201 1.2651 '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
O19 Tb1 O4 83.9(3) . .
O19 Tb1 O3 145.8(3) . .
O4 Tb1 O3 70.9(3) . .
O19 Tb1 O2 141.4(3) . .
O4 Tb1 O2 110.6(3) . .
O3 Tb1 O2 71.2(3) . .
O19 Tb1 O1 80.1(3) . .
O4 Tb1 O1 71.3(3) . .
O3 Tb1 O1 111.7(3) . .
O2 Tb1 O1 72.0(3) . .
O19 Tb1 O37 74.7(3) . .
O4 Tb1 O37 76.1(3) . .
O3 Tb1 O37 77.0(3) . .
O2 Tb1 O37 142.5(3) . .
O1 Tb1 O37 140.4(3) . .
O19 Tb1 O10 72.1(3) . .
O4 Tb1 O10 144.3(3) . .
O3 Tb1 O10 140.3(3) . .
O2 Tb1 O10 76.7(3) . .
O1 Tb1 O10 78.7(3) . .
O37 Tb1 O10 120.2(3) . .
O19 Tb1 N9 108.5(3) . .
O4 Tb1 N9 141.1(3) . .
O3 Tb1 N9 80.2(3) . .
O2 Tb1 N9 82.9(3) . .
O1 Tb1 N9 145.9(3) . .
O37 Tb1 N9 72.3(4) . .
O10 Tb1 N9 73.2(3) . .
O19 Tb1 Cu3 90.6(2) . .
O4 Tb1 Cu3 174.5(2) . .
O3 Tb1 Cu3 114.03(17) . .
O2 Tb1 Cu3 74.0(2) . .
O1 Tb1 Cu3 108.02(18) . .
O37 Tb1 Cu3 102.3(2) . .
O10 Tb1 Cu3 32.28(19) . .
N9 Tb1 Cu3 41.1(3) . .
O19 Tb1 Tb5 33.9(2) . .
O4 Tb1 Tb5 114.17(19) . .
O3 Tb1 Tb5 171.18(18) . .
O2 Tb1 Tb5 111.9(2) . .
O1 Tb1 Tb5 77.08(19) . .
O37 Tb1 Tb5 97.0(2) . .
O10 Tb1 Tb5 38.14(19) . .
N9 Tb1 Tb5 91.9(2) . .
Cu3 Tb1 Tb5 60.57(3) . .
O19 Tb1 Tb2 170.3(2) . 3_565
O4 Tb1 Tb2 90.07(19) . 3_565
O3 Tb1 Tb2 36.04(17) . 3_565
O2 Tb1 Tb2 35.2(2) . 3_565
O1 Tb1 Tb2 90.84(18) . 3_565
O37 Tb1 Tb2 111.3(2) . 3_565
O10 Tb1 Tb2 109.6(2) . 3_565
N9 Tb1 Tb2 80.9(2) . 3_565
Cu3 Tb1 Tb2 95.44(3) . 3_565
Tb5 Tb1 Tb2 146.80(2) . 3_565
O19 Tb1 Tb3 116.2(2) . .
O4 Tb1 Tb3 34.89(19) . .
O3 Tb1 Tb3 36.08(17) . .
O2 Tb1 Tb3 90.5(2) . .
O1 Tb1 Tb3 90.47(19) . .
O37 Tb1 Tb3 74.5(2) . .
O10 Tb1 Tb3 165.3(2) . .
N9 Tb1 Tb3 112.9(3) . .
Cu3 Tb1 Tb3 150.10(3) . .
Tb5 Tb1 Tb3 148.77(2) . .
Tb2 Tb1 Tb3 60.118(16) 3_565 .
O35 Tb2 O2 80.4(3) . 3_565
O35 Tb2 O1 143.2(3) . .
O2 Tb2 O1 111.2(3) 3_565 .
O35 Tb2 O3 143.0(3) . 3_565
O2 Tb2 O3 71.6(3) 3_565 3_565
O1 Tb2 O3 71.5(2) . 3_565
O35 Tb2 O4 81.6(3) . .
O2 Tb2 O4 71.0(3) 3_565 .
O1 Tb2 O4 70.6(3) . .
O3 Tb2 O4 110.3(3) 3_565 .
O35 Tb2 O36 74.2(3) . .
O2 Tb2 O36 76.6(3) 3_565 .
O1 Tb2 O36 141.5(3) . .
O3 Tb2 O36 76.2(3) 3_565 .
O4 Tb2 O36 142.2(3) . .
O35 Tb2 O34 72.9(3) . 3_565
O2 Tb2 O34 142.5(3) 3_565 3_565
O1 Tb2 O34 78.5(3) . 3_565
O3 Tb2 O34 142.4(3) 3_565 3_565
O4 Tb2 O34 79.4(3) . 3_565
O36 Tb2 O34 119.0(3) . 3_565
O35 Tb2 N20 110.1(4) . .
O2 Tb2 N20 143.4(3) 3_565 .
O1 Tb2 N20 81.9(3) . .
O3 Tb2 N20 81.4(3) 3_565 .
O4 Tb2 N20 143.7(3) . .
O36 Tb2 N20 73.1(3) . .
O34 Tb2 N20 72.2(3) 3_565 .
O35 Tb2 Cu2 91.8(2) . .
O2 Tb2 Cu2 172.2(2) 3_565 .
O1 Tb2 Cu2 74.95(19) . .
O3 Tb2 Cu2 115.60(17) 3_565 .
O4 Tb2 Cu2 107.77(19) . .
O36 Tb2 Cu2 101.7(2) . .
O34 Tb2 Cu2 32.1(2) 3_565 .
N20 Tb2 Cu2 40.3(3) . .
O35 Tb2 Tb4 33.7(2) . .
O2 Tb2 Tb4 110.9(2) 3_565 .
O1 Tb2 Tb4 114.72(18) . .
O3 Tb2 Tb4 170.50(18) 3_565 .
O4 Tb2 Tb4 79.01(19) . .
O36 Tb2 Tb4 95.3(2) . .
O34 Tb2 Tb4 39.1(2) 3_565 .
N20 Tb2 Tb4 92.2(3) . .
Cu2 Tb2 Tb4 61.49(3) . .
O35 Tb2 Tb1 113.6(2) . 3_565
O2 Tb2 Tb1 35.9(2) 3_565 3_565
O1 Tb2 Tb1 90.48(19) . 3_565
O3 Tb2 Tb1 35.75(17) 3_565 3_565
O4 Tb2 Tb1 89.70(19) . 3_565
O36 Tb2 Tb1 74.4(2) . 3_565
O34 Tb2 Tb1 166.6(2) 3_565 3_565
N20 Tb2 Tb1 114.3(3) . 3_565
Cu2 Tb2 Tb1 151.34(3) . 3_565
Tb4 Tb2 Tb1 146.29(2) . 3_565
O35 Tb2 Tb3 169.2(2) . 3_565
O2 Tb2 Tb3 91.1(2) 3_565 3_565
O1 Tb2 Tb3 35.30(17) . 3_565
O3 Tb2 Tb3 36.23(17) 3_565 3_565
O4 Tb2 Tb3 89.4(2) . 3_565
O36 Tb2 Tb3 110.4(2) . 3_565
O34 Tb2 Tb3 111.4(2) 3_565 3_565
N20 Tb2 Tb3 80.7(3) . 3_565
Cu2 Tb2 Tb3 96.62(3) . 3_565
Tb4 Tb2 Tb3 149.70(2) . 3_565
Tb1 Tb2 Tb3 60.131(15) 3_565 3_565
O32 Tb3 O4 141.4(3) . .
O32 Tb3 O1 82.3(3) . 3_565
O4 Tb3 O1 110.0(3) . 3_565
O32 Tb3 O3 145.9(3) . .
O4 Tb3 O3 70.1(3) . .
O1 Tb3 O3 71.3(2) 3_565 .
O32 Tb3 O2 79.1(3) . 3_565
O4 Tb3 O2 70.9(3) . 3_565
O1 Tb3 O2 72.3(3) 3_565 3_565
O3 Tb3 O2 111.4(3) . 3_565
O32 Tb3 O5 71.8(3) . .
O4 Tb3 O5 78.8(3) . .
O1 Tb3 O5 144.1(3) 3_565 .
O3 Tb3 O5 140.9(3) . .
O2 Tb3 O5 78.6(3) 3_565 .
O32 Tb3 O33 75.4(3) . .
O4 Tb3 O33 142.4(3) . .
O1 Tb3 O33 76.0(3) 3_565 .
O3 Tb3 O33 77.6(3) . .
O2 Tb3 O33 141.4(3) 3_565 .
O5 Tb3 O33 118.9(3) . .
O32 Tb3 N1 111.2(4) . .
O4 Tb3 N1 82.1(3) . .
O1 Tb3 N1 141.7(3) 3_565 .
O3 Tb3 N1 80.0(3) . .
O2 Tb3 N1 143.8(3) 3_565 .
O5 Tb3 N1 72.7(3) . .
O33 Tb3 N1 73.5(4) . .
O32 Tb3 Cu1 92.1(2) . .
O4 Tb3 Cu1 74.5(2) . .
O1 Tb3 Cu1 174.42(19) 3_565 .
O3 Tb3 Cu1 113.81(17) . .
O2 Tb3 Cu1 106.9(2) 3_565 .
O5 Tb3 Cu1 32.2(2) . .
O33 Tb3 Cu1 102.5(2) . .
N1 Tb3 Cu1 40.8(3) . .
O32 Tb3 Tb6 33.4(2) . .
O4 Tb3 Tb6 114.5(2) . .
O1 Tb3 Tb6 113.28(18) 3_565 .
O3 Tb3 Tb6 170.22(18) . .
O2 Tb3 Tb6 78.4(2) 3_565 .
O5 Tb3 Tb6 38.5(2) . .
O33 Tb3 Tb6 94.9(3) . .
N1 Tb3 Tb6 92.0(3) . .
Cu1 Tb3 Tb6 61.30(3) . .
O32 Tb3 Tb2 115.4(2) . 3_565
O4 Tb3 Tb2 89.5(2) . 3_565
O1 Tb3 Tb2 35.36(18) 3_565 3_565
O3 Tb3 Tb2 35.98(17) . 3_565
O2 Tb3 Tb2 91.1(2) 3_565 3_565
O5 Tb3 Tb2 166.4(2) . 3_565
O33 Tb3 Tb2 74.7(3) . 3_565
N1 Tb3 Tb2 112.8(3) . 3_565
Cu1 Tb3 Tb2 149.79(3) . 3_565
Tb6 Tb3 Tb2 148.14(2) . 3_565
O32 Tb3 Tb1 168.4(2) . .
O4 Tb3 Tb1 34.60(19) . .
O1 Tb3 Tb1 90.17(19) 3_565 .
O3 Tb3 Tb1 35.55(17) . .
O2 Tb3 Tb1 90.2(2) 3_565 .
O5 Tb3 Tb1 110.8(2) . .
O33 Tb3 Tb1 111.5(3) . .
N1 Tb3 Tb1 80.1(3) . .
Cu1 Tb3 Tb1 95.36(3) . .
Tb6 Tb3 Tb1 148.62(2) . .
Tb2 Tb3 Tb1 59.751(16) 3_565 .
O19 Tb5 O9 82.0(3) . .
O19 Tb5 O11 89.1(3) . .
O9 Tb5 O11 152.9(3) . .
O19 Tb5 O10 72.7(3) . .
O9 Tb5 O10 74.1(3) . .
O11 Tb5 O10 78.8(3) . .
O19 Tb5 O26 144.9(3) . .
O9 Tb5 O26 85.2(4) . .
O11 Tb5 O26 87.6(4) . .
O10 Tb5 O26 72.4(3) . .
O19 Tb5 O20 138.2(3) . .
O9 Tb5 O20 128.1(3) . .
O11 Tb5 O20 74.1(3) . .
O10 Tb5 O20 137.0(3) . .
O26 Tb5 O20 73.7(4) . .
O19 Tb5 O23 73.7(3) . .
O9 Tb5 O23 80.1(3) . .
O11 Tb5 O23 121.9(4) . .
O10 Tb5 O23 139.9(3) . .
O26 Tb5 O23 135.7(4) . .
O20 Tb5 O23 83.1(4) . .
O19 Tb5 O24 71.4(3) . .
O9 Tb5 O24 127.4(3) . .
O11 Tb5 O24 72.4(4) . .
O10 Tb5 O24 133.7(4) . .
O26 Tb5 O24 139.5(4) . .
O20 Tb5 O24 67.1(4) . .
O23 Tb5 O24 49.5(4) . .
O19 Tb5 O21 137.0(3) . .
O9 Tb5 O21 78.8(3) . .
O11 Tb5 O21 123.1(3) . .
O10 Tb5 O21 135.6(4) . .
O26 Tb5 O21 70.9(4) . .
O20 Tb5 O21 49.7(3) . .
O23 Tb5 O21 65.3(4) . .
O24 Tb5 O21 90.7(4) . .
O19 Tb5 N16 144.0(4) . .
O9 Tb5 N16 103.1(4) . .
O11 Tb5 N16 99.2(4) . .
O10 Tb5 N16 143.2(3) . .
O26 Tb5 N16 70.8(4) . .
O20 Tb5 N16 25.4(3) . .
O23 Tb5 N16 72.2(4) . .
O24 Tb5 N16 77.9(4) . .
O21 Tb5 N16 24.4(3) . .
O19 Tb5 Tb1 33.9(2) . .
O9 Tb5 Tb1 75.6(2) . .
O11 Tb5 Tb1 82.7(2) . .
O10 Tb5 Tb1 38.78(19) . .
O26 Tb5 Tb1 111.1(3) . .
O20 Tb5 Tb1 156.2(2) . .
O23 Tb5 Tb1 105.3(3) . .
O24 Tb5 Tb1 101.1(3) . .
O21 Tb5 Tb1 154.0(2) . .
N16 Tb5 Tb1 177.4(3) . .
O35 Tb4 O7 85.3(3) . .
O35 Tb4 O8 90.0(3) . .
O7 Tb4 O8 147.2(3) . .
O35 Tb4 O30 94.3(6) . .
O7 Tb4 O30 145.1(4) . .
O8 Tb4 O30 67.6(4) . .
O35 Tb4 O31 157.3(4) . .
O7 Tb4 O31 91.0(3) . .
O8 Tb4 O31 81.0(4) . .
O30 Tb4 O31 101.3(6) . .
O35 Tb4 O34 74.4(3) . 3_565
O7 Tb4 O34 70.4(3) . 3_565
O8 Tb4 O34 77.1(3) . 3_565
O30 Tb4 O34 142.9(4) . 3_565
O31 Tb4 O34 83.2(4) . 3_565
O35 Tb4 O28 77.6(3) . .
O7 Tb4 O28 77.2(3) . .
O8 Tb4 O28 133.4(3) . .
O30 Tb4 O28 68.8(4) . .
O31 Tb4 O28 123.4(4) . .
O34 Tb4 O28 138.3(3) 3_565 .
O35 Tb4 O27 126.1(3) . .
O7 Tb4 O27 76.9(3) . .
O8 Tb4 O27 129.8(4) . .
O30 Tb4 O27 75.4(5) . .
O31 Tb4 O27 74.3(4) . .
O34 Tb4 O27 139.7(3) 3_565 .
O28 Tb4 O27 49.1(3) . .
O35 Tb4 Tb2 34.8(2) . .
O7 Tb4 Tb2 76.1(2) . .
O8 Tb4 Tb2 81.6(3) . .
O30 Tb4 Tb2 120.9(5) . .
O31 Tb4 Tb2 122.7(3) . .
O34 Tb4 Tb2 39.64(19) 3_565 .
O28 Tb4 Tb2 107.8(2) . .
O27 Tb4 Tb2 148.1(2) . .
O32 Tb6 O6 89.1(4) . .
O32 Tb6 O12 80.1(3) . 3_565
O6 Tb6 O12 146.6(3) . 3_565
O32 Tb6 O18 146.4(3) . .
O6 Tb6 O18 87.9(4) . .
O12 Tb6 O18 84.2(4) 3_565 .
O32 Tb6 O5 72.1(3) . .
O6 Tb6 O5 76.4(3) . .
O12 Tb6 O5 70.2(3) 3_565 .
O18 Tb6 O5 74.7(3) . .
O32 Tb6 O13 78.5(3) . .
O6 Tb6 O13 132.8(4) . .
O12 Tb6 O13 76.0(3) 3_565 .
O18 Tb6 O13 125.9(4) . .
O5 Tb6 O13 138.1(3) . .
O32 Tb6 O17 137.1(6) . .
O6 Tb6 O17 71.2(5) . .
O12 Tb6 O17 135.4(5) 3_565 .
O18 Tb6 O17 72.5(6) . .
O5 Tb6 O17 134.1(5) . .
O13 Tb6 O17 87.6(5) . .
O32 Tb6 O16 73.2(5) . .
O6 Tb6 O16 66.8(4) . .
O12 Tb6 O16 136.9(4) 3_565 .
O18 Tb6 O16 134.7(5) . .
O5 Tb6 O16 128.9(4) . .
O13 Tb6 O16 66.1(4) . .
O17 Tb6 O16 64.1(7) . .
O32 Tb6 O14 125.7(3) . .
O6 Tb6 O14 135.3(4) . .
O12 Tb6 O14 74.0(3) 3_565 .
O18 Tb6 O14 76.9(3) . .
O5 Tb6 O14 135.9(3) . .
O13 Tb6 O14 49.5(3) . .
O17 Tb6 O14 64.2(5) . .
O16 Tb6 O14 94.9(4) . .
O32 Tb6 Tb3 34.0(2) . .
O6 Tb6 Tb3 79.4(3) . .
O12 Tb6 Tb3 74.1(2) 3_565 .
O18 Tb6 Tb3 112.9(3) . .
O5 Tb6 Tb3 38.1(2) . .
O13 Tb6 Tb3 109.0(3) . .
O17 Tb6 Tb3 150.0(4) . .
O16 Tb6 Tb3 99.2(4) . .
O14 Tb6 Tb3 145.3(2) . .
N18 Cu2 O34 172.3(4) . 3_565
N18 Cu2 N8 78.3(4) . .
O34 Cu2 N8 108.6(4) 3_565 .
N18 Cu2 N7 78.9(5) . .
O34 Cu2 N7 93.9(4) 3_565 .
N8 Cu2 N7 156.6(4) . .
N18 Cu2 N20 95.1(4) . .
O34 Cu2 N20 88.0(4) 3_565 .
N8 Cu2 N20 93.9(4) . .
N7 Cu2 N20 93.1(4) . .
N18 Cu2 Tb2 140.8(3) . .
O34 Cu2 Tb2 42.6(2) 3_565 .
N8 Cu2 Tb2 102.3(3) . .
N7 Cu2 Tb2 98.5(3) . .
N20 Cu2 Tb2 45.7(3) . .
N13 Cu3 O10 171.6(4) . .
N13 Cu3 N14 79.1(4) . .
O10 Cu3 N14 107.6(4) . .
N13 Cu3 N12 78.4(4) . .
O10 Cu3 N12 94.3(4) . .
N14 Cu3 N12 156.7(4) . .
N13 Cu3 N9 95.6(4) . .
O10 Cu3 N9 88.8(4) . .
N14 Cu3 N9 95.5(4) . .
N12 Cu3 N9 92.6(5) . .
N13 Cu3 Tb1 142.1(3) . .
O10 Cu3 Tb1 42.6(2) . .
N14 Cu3 Tb1 102.6(3) . .
N12 Cu3 Tb1 98.8(3) . .
N9 Cu3 Tb1 46.5(3) . .
N5 Cu1 O5 171.9(5) . .
N5 Cu1 N4 79.6(5) . .
O5 Cu1 N4 92.5(4) . .
N5 Cu1 N6 78.1(5) . .
O5 Cu1 N6 109.7(4) . .
N4 Cu1 N6 157.5(4) . .
N5 Cu1 N1 94.7(5) . .
O5 Cu1 N1 87.2(4) . .
N4 Cu1 N1 89.8(5) . .
N6 Cu1 N1 94.6(5) . .
N5 Cu1 Tb3 140.6(4) . .
O5 Cu1 Tb3 41.7(3) . .
N4 Cu1 Tb3 96.3(3) . .
N6 Cu1 Tb3 102.6(3) . .
N1 Cu1 Tb3 45.9(3) . .
N19 O27 Tb4 97.2(8) . .
Tb1 O3 Tb2 108.2(3) . 3_565
Tb1 O3 Tb3 108.4(3) . .
Tb2 O3 Tb3 107.8(3) 3_565 .
Tb2 O2 Tb1 108.9(3) 3_565 .
Tb2 O2 Tb3 109.4(3) 3_565 3_565
Tb1 O2 Tb3 107.5(3) . 3_565
Tb4 O35 Tb2 111.5(4) . .
N19 O28 Tb4 98.1(8) . .
N16 O20 Tb5 96.3(8) . .
N8 O9 Tb5 122.7(7) . .
Cu1 O5 Tb3 106.1(4) . .
Cu1 O5 Tb6 116.7(4) . .
Tb3 O5 Tb6 103.3(3) . .
Tb3 O1 Tb2 109.3(3) 3_565 .
Tb3 O1 Tb1 108.2(3) 3_565 .
Tb2 O1 Tb1 108.9(3) . .
Tb1 O4 Tb3 110.5(3) . .
Tb1 O4 Tb2 109.3(3) . .
Tb3 O4 Tb2 108.7(3) . .
Cu2 O34 Tb4 117.1(4) 3_565 3_565
Cu2 O34 Tb2 105.3(4) 3_565 3_565
Tb4 O34 Tb2 101.2(3) 3_565 3_565
Cu3 O10 Tb5 115.8(4) . .
Cu3 O10 Tb1 105.1(4) . .
Tb5 O10 Tb1 103.1(3) . .
N6 O7 Tb4 124.0(8) . .
Tb1 O19 Tb5 112.1(4) . .
N7 O8 Tb4 120.6(8) . .
Tb6 O32 Tb3 112.6(4) . .
N12 O11 Tb5 118.7(8) . .
N14 O12 Tb6 122.8(7) . 3_565
N15 O13 Tb6 98.7(8) . .
N15 O14 Tb6 95.8(9) . .
N17 O23 Tb5 97.3(8) . .
N16 O21 Tb5 93.1(9) . .
N4 O6 Tb6 118.9(8) . .
N17 O24 Tb5 96.1(9) . .
N11 N10 N9 176.5(17) . .
O15 N15 O14 123.5(15) . .
O15 N15 O13 120.4(13) . .
O14 N15 O13 116.0(12) . .
C17 N7 O8 119.0(11) . .
C17 N7 Cu2 117.6(10) . .
O8 N7 Cu2 122.2(8) . .
O25 N17 O24 121.7(14) . .
O25 N17 O23 121.4(13) . .
O24 N17 O23 116.8(13) . .
O21 N16 O22 121.2(14) . .
O21 N16 O20 120.9(13) . .
O22 N16 O20 117.9(14) . .
O21 N16 Tb5 62.6(8) . .
O22 N16 Tb5 174.6(12) . .
O20 N16 Tb5 58.3(7) . .
C8 N14 O12 113.5(12) . .
C8 N14 Cu3 120.6(10) . .
O12 N14 Cu3 125.8(8) . .
C4 N6 O7 116.4(12) . .
C4 N6 Cu1 118.1(10) . .
O7 N6 Cu1 125.4(8) . .
N10 N9 Cu3 108.2(9) . .
N10 N9 Tb1 132.4(11) . .
Cu3 N9 Tb1 92.4(4) . .
C5 N12 O11 118.0(12) . .
C5 N12 Cu3 117.3(10) . .
O11 N12 Cu3 124.0(7) . .
C15 N18 C16 122.8(12) . .
C15 N18 Cu2 119.6(9) . .
C16 N18 Cu2 117.7(10) . .
C6 N13 C7 122.5(11) . .
C6 N13 Cu3 118.7(9) . .
C7 N13 Cu3 118.8(9) . .
C3 N5 C2 120.9(12) . .
C3 N5 Cu1 119.5(10) . .
C2 N5 Cu1 119.1(9) . .
N3 N2 N1 178.4(17) . .
O29 N19 O28 122.4(13) . .
O29 N19 O27 122.1(12) . .
O28 N19 O27 115.5(12) . .
C14 N8 O9 117.1(12) . .
C14 N8 Cu2 117.3(9) . .
O9 N8 Cu2 125.1(8) . .
N22 N21 N20 178.7(18) . .
N21 N20 Cu2 109.4(8) . .
N21 N20 Tb2 131.7(10) . .
Cu2 N20 Tb2 94.1(4) . .
N2 N1 Cu1 111.1(10) . .
N2 N1 Tb3 132.9(10) . .
Cu1 N1 Tb3 93.3(4) . .
C1 N4 O6 118.5(13) . .
C1 N4 Cu1 116.5(12) . .
O6 N4 Cu1 124.3(8) . .
C1 C27 H27A 109.5 . .
C1 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C1 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C14 C22 H22A 109.5 . .
C14 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C14 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N7 C17 C18 125.6(14) . .
N7 C17 C16 111.6(12) . .
C18 C17 C16 122.8(13) . .
C4 C23 H23A 109.5 . .
C4 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C4 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N5 C3 C24 122.5(15) . .
N5 C3 C4 112.7(12) . .
C24 C3 C4 124.8(14) . .
C25 C24 C3 115.6(14) . .
C25 C24 H24 122.2 . .
C3 C24 H24 122.2 . .
C15 C21 C20 118.2(14) . .
C15 C21 H21 120.9 . .
C20 C21 H21 120.9 . .
N6 C4 C23 126.0(14) . .
N6 C4 C3 111.3(13) . .
C23 C4 C3 122.7(12) . .
C16 C19 C20 117.5(14) . .
C16 C19 H19 121.2 . .
C20 C19 H19 121.2 . .
C26 C2 N5 122.2(14) . .
C26 C2 C1 126.1(15) . .
N5 C2 C1 111.7(12) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N8 C14 C15 112.1(13) . .
N8 C14 C22 125.1(13) . .
C15 C14 C22 122.7(12) . .
N18 C16 C19 120.5(15) . .
N18 C16 C17 113.9(12) . .
C19 C16 C17 125.6(14) . .
C21 C20 C19 119.5(13) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
N4 C1 C27 123.8(17) . .
N4 C1 C2 112.8(14) . .
C27 C1 C2 123.3(15) . .
N12 C5 C13 125.9(13) . .
N12 C5 C6 111.6(12) . .
C13 C5 C6 122.5(12) . .
N14 C8 C9 128.7(13) . .
N14 C8 C7 110.5(11) . .
C9 C8 C7 120.8(12) . .
C2 C26 C25 116.9(15) . .
C2 C26 H26 121.6 . .
C25 C26 H26 121.6 . .
C24 C25 C26 121.7(13) . .
C24 C25 H25 119.1 . .
C26 C25 H25 119.1 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C5 C13 H13A 109.5 . .
C5 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C5 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C11 C10 121.0(13) . .
C12 C11 H11 119.5 . .
C10 C11 H11 119.5 . .
N18 C15 C21 121.3(13) . .
N18 C15 C14 112.4(12) . .
C21 C15 C14 126.1(14) . .
C10 C7 N13 121.1(13) . .
C10 C7 C8 128.0(13) . .
N13 C7 C8 110.8(11) . .
N13 C6 C12 120.5(13) . .
N13 C6 C5 113.5(11) . .
C12 C6 C5 125.9(13) . .
C7 C10 C11 117.4(14) . .
C7 C10 H10 121.3 . .
C11 C10 H10 121.3 . .
C11 C12 C6 117.2(14) . .
C11 C12 H12 121.4 . .
C6 C12 H12 121.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O19 2.305(8) .
Tb1 O4 2.352(8) .
Tb1 O3 2.377(7) .
Tb1 O2 2.396(8) .
Tb1 O1 2.415(7) .
Tb1 O37 2.436(9) .
Tb1 O10 2.461(8) .
Tb1 N9 2.547(10) .
Tb1 Cu3 3.5094(17) .
Tb1 Tb5 3.8275(9) .
Tb1 Tb2 3.8654(9) 3_565
Tb1 Tb3 3.8802(9) .
Tb2 O35 2.332(8) .
Tb2 O2 2.356(8) 3_565
Tb2 O1 2.379(7) .
Tb2 O3 2.394(7) 3_565
Tb2 O4 2.429(8) .
Tb2 O36 2.442(9) .
Tb2 O34 2.475(8) 3_565
Tb2 N20 2.529(11) .
Tb2 Cu2 3.5277(16) .
Tb2 Tb4 3.8049(9) .
Tb2 Tb1 3.8653(9) 3_565
Tb2 Tb3 3.8797(9) 3_565
Tb3 O32 2.327(9) .
Tb3 O4 2.370(8) .
Tb3 O1 2.376(7) 3_565
Tb3 O3 2.408(7) .
Tb3 O2 2.419(8) 3_565
Tb3 O5 2.437(9) .
Tb3 O33 2.448(9) .
Tb3 N1 2.532(11) .
Tb3 Cu1 3.5181(17) .
Tb3 Tb6 3.8385(10) .
Tb3 Tb2 3.8797(9) 3_565
Tb5 O19 2.308(9) .
Tb5 O9 2.315(9) .
Tb5 O11 2.344(9) .
Tb5 O10 2.427(8) .
Tb5 O26 2.443(11) .
Tb5 O20 2.515(9) .
Tb5 O23 2.555(11) .
Tb5 O24 2.597(12) .
Tb5 O21 2.611(11) .
Tb5 N16 2.937(14) .
Tb4 O35 2.271(8) .
Tb4 O7 2.328(9) .
Tb4 O8 2.343(10) .
Tb4 O30 2.381(12) .
Tb4 O31 2.404(11) .
Tb4 O34 2.449(9) 3_565
Tb4 O28 2.537(10) .
Tb4 O27 2.553(11) .
Tb6 O32 2.286(10) .
Tb6 O6 2.339(10) .
Tb6 O12 2.389(10) 3_565
Tb6 O18 2.421(11) .
Tb6 O5 2.456(9) .
Tb6 O13 2.521(11) .
Tb6 O17 2.534(13) .
Tb6 O16 2.588(13) .
Tb6 O14 2.597(11) .
Cu2 N18 1.935(11) .
Cu2 O34 1.944(9) 3_565
Cu2 N8 2.011(12) .
Cu2 N7 2.019(11) .
Cu2 N20 2.286(12) .
Cu3 N13 1.935(11) .
Cu3 O10 1.941(8) .
Cu3 N14 1.973(13) .
Cu3 N12 2.018(11) .
Cu3 N9 2.309(12) .
Cu1 N5 1.913(10) .
Cu1 O5 1.950(8) .
Cu1 N4 1.997(13) .
Cu1 N6 2.021(13) .
Cu1 N1 2.302(12) .
O22 N16 1.249(17) .
O27 N19 1.253(16) .
O3 Tb2 2.394(7) 3_565
O2 Tb2 2.356(8) 3_565
O2 Tb3 2.419(8) 3_565
O28 N19 1.250(15) .
O15 N15 1.233(17) .
O20 N16 1.265(16) .
O9 N8 1.373(13) .
O1 Tb3 2.376(7) 3_565
O34 Cu2 1.943(9) 3_565
O34 Tb4 2.448(9) 3_565
O34 Tb2 2.475(8) 3_565
O7 N6 1.377(14) .
O8 N7 1.337(15) .
O11 N12 1.327(14) .
O12 N14 1.412(15) .
O12 Tb6 2.389(10) 3_565
O13 N15 1.277(17) .
O14 N15 1.251(15) .
O23 N17 1.282(17) .
O21 N16 1.214(17) .
O6 N4 1.347(16) .
O29 N19 1.214(16) .
O24 N17 1.252(17) .
O25 N17 1.244(17) .
N10 N11 1.145(18) .
N10 N9 1.196(16) .
N3 N2 1.143(18) .
N22 N21 1.142(17) .
N7 C17 1.290(17) .
N14 C8 1.289(16) .
N6 C4 1.292(17) .
N12 C5 1.297(16) .
N18 C15 1.321(18) .
N18 C16 1.330(18) .
N13 C6 1.312(17) .
N13 C7 1.359(17) .
N5 C3 1.329(19) .
N5 C2 1.354(19) .
N2 N1 1.215(17) .
N8 C14 1.311(18) .
N21 N20 1.218(16) .
N4 C1 1.33(2) .
C27 C1 1.47(2) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C22 C14 1.51(2) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C17 C18 1.47(2) .
C17 C16 1.50(2) .
C23 C4 1.47(2) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C3 C24 1.41(2) .
C3 C4 1.50(2) .
C24 C25 1.37(2) .
C24 H24 0.9500 .
C21 C15 1.38(2) .
C21 C20 1.39(2) .
C21 H21 0.9500 .
C19 C16 1.38(2) .
C19 C20 1.44(2) .
C19 H19 0.9500 .
C2 C26 1.34(2) .
C2 C1 1.49(2) .
C9 C8 1.458(18) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C14 C15 1.492(19) .
C20 H20 0.9500 .
C5 C13 1.49(2) .
C5 C6 1.497(19) .
C8 C7 1.553(18) .
C26 C25 1.46(2) .
C26 H26 0.9500 .
C25 H25 0.9500 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C11 C12 1.38(2) .
C11 C10 1.423(19) .
C11 H11 0.9500 .
C7 C10 1.34(2) .
C6 C12 1.399(19) .
C10 H10 0.9500 .
C12 H12 0.9500 .
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
Tb6 O14 N15 O15 177.0(14) .
Tb6 O14 N15 O13 0.1(13) .
Tb6 O13 N15 O15 -177.1(13) .
Tb6 O13 N15 O14 -0.1(13) .
Tb4 O8 N7 C17 161.1(10) .
Tb4 O8 N7 Cu2 -31.5(13) .
Tb5 O24 N17 O25 -173.9(13) .
Tb5 O24 N17 O23 5.1(13) .
Tb5 O23 N17 O25 173.8(12) .
Tb5 O23 N17 O24 -5.2(14) .
Tb5 O21 N16 O22 175.6(15) .
Tb5 O21 N16 O20 -1.9(15) .
Tb5 O20 N16 O21 2.0(16) .
Tb5 O20 N16 O22 -175.6(13) .
Tb6 O12 N14 C8 104.8(11) 3_565
Tb6 O12 N14 Cu3 -77.4(11) 3_565
Tb4 O7 N6 C4 108.4(11) .
Tb4 O7 N6 Cu1 -72.0(11) .
Tb5 O11 N12 C5 -161.4(10) .
Tb5 O11 N12 Cu3 27.7(13) .
Tb4 O28 N19 O29 178.8(12) .
Tb4 O28 N19 O27 -2.0(13) .
Tb4 O27 N19 O29 -178.8(12) .
Tb4 O27 N19 O28 2.0(13) .
Tb5 O9 N8 C14 -103.7(12) .
Tb5 O9 N8 Cu2 84.5(10) .
Tb6 O6 N4 C1 -158.8(12) .
Tb6 O6 N4 Cu1 31.6(16) .
O8 N7 C17 C18 -5(2) .
Cu2 N7 C17 C18 -172.8(13) .
O8 N7 C17 C16 173.7(11) .
Cu2 N7 C17 C16 5.7(16) .
C2 N5 C3 C24 3(2) .
Cu1 N5 C3 C24 175.6(11) .
C2 N5 C3 C4 -177.9(13) .
Cu1 N5 C3 C4 -5.2(16) .
N5 C3 C24 C25 -3(2) .
C4 C3 C24 C25 178.4(14) .
O7 N6 C4 C23 0(2) .
Cu1 N6 C4 C23 -179.7(11) .
O7 N6 C4 C3 -177.7(11) .
Cu1 N6 C4 C3 2.7(15) .
N5 C3 C4 N6 1.4(17) .
C24 C3 C4 N6 -179.5(14) .
N5 C3 C4 C23 -176.4(13) .
C24 C3 C4 C23 3(2) .
C3 N5 C2 C26 -4(2) .
Cu1 N5 C2 C26 -176.7(13) .
C3 N5 C2 C1 176.6(13) .
Cu1 N5 C2 C1 3.8(17) .
O9 N8 C14 C15 -179.1(10) .
Cu2 N8 C14 C15 -6.6(15) .
O9 N8 C14 C22 -1(2) .
Cu2 N8 C14 C22 171.8(11) .
C15 N18 C16 C19 -2(2) .
Cu2 N18 C16 C19 178.2(11) .
C15 N18 C16 C17 179.0(12) .
Cu2 N18 C16 C17 -1.1(15) .
C20 C19 C16 N18 -2(2) .
C20 C19 C16 C17 177.3(14) .
N7 C17 C16 N18 -3.0(18) .
C18 C17 C16 N18 175.5(14) .
N7 C17 C16 C19 177.7(14) .
C18 C17 C16 C19 -4(2) .
C15 C21 C20 C19 -1(2) .
C16 C19 C20 C21 3(2) .
O6 N4 C1 C27 2(3) .
Cu1 N4 C1 C27 172.4(15) .
O6 N4 C1 C2 -174.5(13) .
Cu1 N4 C1 C2 -4.1(18) .
C26 C2 C1 N4 -179.1(17) .
N5 C2 C1 N4 0(2) .
C26 C2 C1 C27 4(3) .
N5 C2 C1 C27 -176.1(17) .
O11 N12 C5 C13 2(2) .
Cu3 N12 C5 C13 173.7(12) .
O11 N12 C5 C6 -178.7(11) .
Cu3 N12 C5 C6 -7.1(15) .
O12 N14 C8 C9 3(2) .
Cu3 N14 C8 C9 -174.6(12) .
O12 N14 C8 C7 -177.2(10) .
Cu3 N14 C8 C7 4.9(14) .
N5 C2 C26 C25 4(3) .
C1 C2 C26 C25 -176.3(16) .
C3 C24 C25 C26 3(2) .
C2 C26 C25 C24 -4(3) .
C16 N18 C15 C21 4(2) .
Cu2 N18 C15 C21 -175.8(11) .
C16 N18 C15 C14 179.2(12) .
Cu2 N18 C15 C14 -0.8(15) .
C20 C21 C15 N18 -2(2) .
C20 C21 C15 C14 -176.8(14) .
N8 C14 C15 N18 4.8(17) .
C22 C14 C15 N18 -173.7(13) .
N8 C14 C15 C21 179.5(14) .
C22 C14 C15 C21 1(2) .
C6 N13 C7 C10 -4(2) .
Cu3 N13 C7 C10 175.6(12) .
C6 N13 C7 C8 178.6(12) .
Cu3 N13 C7 C8 -2.0(15) .
N14 C8 C7 C10 -179.2(15) .
C9 C8 C7 C10 0(2) .
N14 C8 C7 N13 -1.8(16) .
C9 C8 C7 N13 177.7(13) .
C7 N13 C6 C12 4(2) .
Cu3 N13 C6 C12 -175.7(11) .
C7 N13 C6 C5 179.7(12) .
Cu3 N13 C6 C5 0.2(16) .
N12 C5 C6 N13 4.5(18) .
C13 C5 C6 N13 -176.2(14) .
N12 C5 C6 C12 -179.8(15) .
C13 C5 C6 C12 -1(2) .
N13 C7 C10 C11 4(2) .
C8 C7 C10 C11 -178.9(14) .
C12 C11 C10 C7 -4(2) .
C10 C11 C12 C6 4(2) .
N13 C6 C12 C11 -4(2) .
C5 C6 C12 C11 -179.4(14) .
