#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:33:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179383 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/80/4328069.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_4328069
loop_
_publ_author_name
'George J. Sopasis'
'Maria Orfanoudaki'
'Pavlos Zarmpas'
'Aggelos Philippidis'
'Milosz Siczek'
'Tadeusz Lis'
'James R. O'Brien'
'Constantinos J. Milios'
_publ_section_title
;
 2-Aminoisobutyric Acid in Co(II) and Co(II)/Ln(III) Chemistry:
 Homometallic and Heterometallic Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1170
_journal_page_last               1179
_journal_paper_doi               10.1021/ic2024007
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety
;
'C36 H69 Co6 N15 O24 Tb, N5 O15 Tb, 0.034378 (Tb (N O3)3 (Cl O4)0.5/(H2 O)0.5 
(H2 O)1 ), 0.65622 (Co (N O3)3 (H2 O)),0.17189 (Cl O4)'
;
_chemical_formula_sum
'C36 H71.35 Cl0.35 Co6.656 N23 O50.54 Tb2.344'
_chemical_formula_weight         2412.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   15.021(3)
_cell_length_b                   15.021(3)
_cell_length_c                   22.362(6)
_cell_measurement_reflns_used    11953
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      28.09
_cell_measurement_theta_min      2.86
_cell_volume                     4369.6(17)
_computing_cell_refinement       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KM4CCD
_diffrn_measurement_method       ω
_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  0.0509
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            38819
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         28.09
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    3.217
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_correction_T_min  0.551
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5
Analytical numeric absorption correction using a 
multifaceted crystal model based on expressions
 derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            'pale red'
_exptl_crystal_density_diffrn    1.833
_exptl_crystal_description       block
_exptl_crystal_F_000             2381
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.721
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         3644
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0312
_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)+(0.0450P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0802
_reflns_number_gt                2453
_reflns_number_total             3644
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2024007_si_002_08.cif
_cod_data_source_block           complex_9
_cod_original_cell_volume        4370(2)
_cod_database_code               4328069
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -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_group
Tb1 Tb 0.3333 0.6667 0.7500 0.03786(11) Uani 1 6 d S .
Co Co 0.56931(3) 0.81561(3) 0.82521(3) 0.05589(15) Uani 1 1 d . .
O1 O 0.4988(2) 0.8228(2) 0.7500 0.0455(7) Uani 1 2 d S .
H1 H 0.4909 0.8844 0.7500 0.055 Uiso 1 2 calc SR .
O12 O 0.44726(16) 0.66326(15) 0.82652(11) 0.0494(5) Uani 1 1 d . .
O22 O 0.37404(19) 0.51724(18) 0.87872(13) 0.0646(7) Uani 1 1 d . .
N12 N 0.6182(3) 0.7516(3) 0.89040(19) 0.0918(13) Uani 1 1 d . .
H12A H 0.6723 0.7469 0.8758 0.110 Uiso 1 1 calc R .
H12B H 0.6413 0.7948 0.9224 0.110 Uiso 1 1 calc R .
C12 C 0.4457(3) 0.6059(3) 0.86891(18) 0.0537(9) Uani 1 1 d . .
C22 C 0.5381(3) 0.6482(3) 0.9112(2) 0.0649(11) Uani 1 1 d . .
C32 C 0.5033(4) 0.6604(5) 0.9718(3) 0.112(2) Uani 1 1 d . .
H32A H 0.4883 0.7162 0.9709 0.169 Uiso 1 1 calc R .
H32B H 0.5573 0.6759 1.0007 0.169 Uiso 1 1 calc R .
H32C H 0.4419 0.5971 0.9830 0.169 Uiso 1 1 calc R .
C42 C 0.5801(4) 0.5750(4) 0.9115(3) 0.1033(17) Uani 1 1 d . .
H42A H 0.6355 0.5984 0.9404 0.155 Uiso 1 1 calc R .
H42B H 0.6061 0.5733 0.8720 0.155 Uiso 1 1 calc R .
H42C H 0.5258 0.5067 0.9222 0.155 Uiso 1 1 calc R .
N1 N 0.6891(2) 0.9671(2) 0.83117(18) 0.0775(10) Uani 1 1 d . .
C1 C 0.7402(3) 1.0495(3) 0.8418(2) 0.0691(11) Uani 1 1 d . .
C2 C 0.8040(4) 1.1571(3) 0.8575(3) 0.1054(18) Uani 1 1 d . .
H2A H 0.8241 1.1985 0.8214 0.158 Uiso 1 1 calc R .
H2B H 0.8649 1.1670 0.8783 0.158 Uiso 1 1 calc R .
H2C H 0.7655 1.1779 0.8832 0.158 Uiso 1 1 calc R .
N13 N 0.7382(4) 0.7951(5) 0.7500 0.0980(19) Uani 1 2 d S .
O13 O 0.6468(2) 0.7812(3) 0.7500 0.0674(10) Uani 1 2 d S .
O23 O 0.7796(3) 0.8006(4) 0.7021(2) 0.1460(19) Uani 1 1 d . .
Tb2 Tb 0.6667 0.3333 0.7500 0.04992(13) Uani 1 6 d S .
N11 N 0.5709(3) 0.4602(3) 0.7500 0.0665(13) Uani 1 2 d S .
O11 O 0.6656(3) 0.4949(3) 0.7500 0.1075(19) Uani 1 2 d S .
O21 O 0.5328(3) 0.5147(3) 0.7500 0.0876(14) Uani 1 2 d S .
O31 O 0.5197(3) 0.3644(3) 0.7500 0.1000(17) Uani 1 2 d S .
N14 N 0.6667 0.3333 0.6220(4) 0.089(2) Uani 1 3 d S .
O14 O 0.728(2) 0.329(4) 0.6499(8) 0.158(13) Uani 0.33 1 d P .
O24 O 0.6667 0.3333 0.5678(4) 0.151(3) Uani 1 3 d S .
O34 O 0.601(3) 0.337(5) 0.6549(10) 0.202(14) Uani 0.33 1 d P .
Tb3 Tb 0.0000 1.0000 1.0000 0.0596(3) Uani 0.344(3) 6 d SP .
Co5 Co 0.0000 1.0000 1.0000 0.0596(3) Uani 0.656(3) 6 d SP .
N15 N 0.0392(12) 0.8388(10) 0.9963(5) 0.143(6) Uani 0.1719(17) 1 d PD 1
O15 O 0.049(3) 0.758(3) 0.984(3) 0.153(15) Uiso 0.1719(17) 1 d PD 1
O25 O 0.008(2) 0.862(2) 0.9482(10) 0.115(8) Uiso 0.1719(17) 1 d PD 1
O35 O 0.062(3) 0.894(2) 1.0464(9) 0.127(12) Uani 0.1719(17) 1 d PD 1
N16 N 0.0392(12) 0.8388(10) 0.9963(5) 0.143(6) Uani 0.3281(17) 1 d PD 2
O16 O 0.086(3) 0.784(3) 0.9980(13) 0.31(2) Uani 0.3281(17) 1 d PD 2
O26 O 0.108(2) 0.9275(19) 0.9721(13) 0.183(15) Uani 0.3281(17) 1 d PD 2
O36 O -0.055(2) 0.819(2) 1.0075(18) 0.23(2) Uani 0.3281(17) 1 d PD 2
Cl1 Cl 0.0000 1.0000 0.8387(12) 0.098(8) Uani 0.0859(9) 3 d SP .
Cl2 Cl 0.0000 1.0000 0.7699(14) 0.093(14) Uani 0.0859(9) 3 d SP .
O1W O -0.0114(18) 0.9610(12) 0.8889(8) 0.091(6) Uiso 0.20 1 d P .
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'
Co Co 0.3494 0.9721 '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'
Cl Cl 0.1484 0.1585 '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
O1 Tb1 O1 120.001(1) 2_665 .
O1 Tb1 O1 120.000(1) 2_665 3_565
O1 Tb1 O1 119.999(1) . 3_565
O1 Tb1 O12 135.42(6) 2_665 .
O1 Tb1 O12 68.21(6) . .
O1 Tb1 O12 70.06(6) 3_565 .
O1 Tb1 O12 135.42(6) 2_665 10_557
O1 Tb1 O12 68.21(6) . 10_557
O1 Tb1 O12 70.06(6) 3_565 10_557
O12 Tb1 O12 89.13(11) . 10_557
O1 Tb1 O12 70.06(7) 2_665 12_567
O1 Tb1 O12 135.42(6) . 12_567
O1 Tb1 O12 68.21(6) 3_565 12_567
O12 Tb1 O12 138.26(4) . 12_567
O12 Tb1 O12 76.20(9) 10_557 12_567
O1 Tb1 O12 70.06(7) 2_665 3_565
O1 Tb1 O12 135.42(6) . 3_565
O1 Tb1 O12 68.21(6) 3_565 3_565
O12 Tb1 O12 76.20(9) . 3_565
O12 Tb1 O12 138.26(4) 10_557 3_565
O12 Tb1 O12 89.13(11) 12_567 3_565
O1 Tb1 O12 68.21(6) 2_665 2_665
O1 Tb1 O12 70.06(7) . 2_665
O1 Tb1 O12 135.42(6) 3_565 2_665
O12 Tb1 O12 76.20(9) . 2_665
O12 Tb1 O12 138.26(4) 10_557 2_665
O12 Tb1 O12 138.26(4) 12_567 2_665
O12 Tb1 O12 76.19(9) 3_565 2_665
O1 Tb1 O12 68.21(6) 2_665 11_667
O1 Tb1 O12 70.06(7) . 11_667
O1 Tb1 O12 135.42(6) 3_565 11_667
O12 Tb1 O12 138.26(4) . 11_667
O12 Tb1 O12 76.19(9) 10_557 11_667
O12 Tb1 O12 76.19(9) 12_567 11_667
O12 Tb1 O12 138.26(4) 3_565 11_667
O12 Tb1 O12 89.13(11) 2_665 11_667
O1 Co N12 158.11(14) . .
O1 Co O22 92.32(10) . 2_665
N12 Co O22 98.80(15) . 2_665
O1 Co N1 100.64(13) . .
N12 Co N1 98.55(14) . .
O22 Co N1 88.01(13) 2_665 .
O1 Co O12 82.78(10) . .
N12 Co O12 78.66(11) . .
O22 Co O12 88.92(10) 2_665 .
N1 Co O12 175.49(14) . .
O1 Co O13 74.66(9) . .
N12 Co O13 94.29(15) . .
O22 Co O13 166.76(10) 2_665 .
N1 Co O13 92.03(15) . .
O12 Co O13 91.72(11) . .
Co O1 Co 112.78(13) . 10_557
Co O1 Tb1 105.09(9) . .
Co O1 Tb1 105.09(9) 10_557 .
Co O1 H1 111.2 . .
Co O1 H1 111.2 10_557 .
Tb1 O1 H1 111.2 . .
C12 O12 Co 117.3(2) . .
C12 O12 Tb1 139.6(2) . .
Co O12 Tb1 101.94(9) . .
C12 O22 Co 127.1(2) . 3_565
C22 N12 Co 114.5(2) . .
C22 N12 H12A 108.6 . .
Co N12 H12A 108.6 . .
C22 N12 H12B 108.6 . .
Co N12 H12B 108.6 . .
H12A N12 H12B 107.6 . .
O22 C12 O12 124.7(3) . .
O22 C12 C22 117.1(3) . .
O12 C12 C22 118.3(3) . .
N12 C22 C32 107.7(4) . .
N12 C22 C42 110.2(4) . .
C32 C22 C42 112.4(4) . .
N12 C22 C12 109.5(3) . .
C32 C22 C12 108.1(3) . .
C42 C22 C12 108.8(4) . .
C22 C32 H32A 109.5 . .
C22 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C22 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C22 C42 H42A 109.5 . .
C22 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C22 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C1 N1 Co 166.3(4) . .
N1 C1 C2 177.7(5) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
O23 N13 O23 122.7(6) . 10_557
O23 N13 O13 118.7(3) . .
O23 N13 O13 118.7(3) 10_557 .
N13 O13 Co 126.75(14) . .
N13 O13 Co 126.75(14) . 10_557
Co O13 Co 96.84(12) . 10_557
O34 Tb2 O34 43.6(9) . 2_655
O34 Tb2 O34 155.2(5) . 11_657
O34 Tb2 O34 129.2(11) 2_655 11_657
O34 Tb2 O34 155.2(5) . 12_667
O34 Tb2 O34 155.3(5) 2_655 12_667
O34 Tb2 O34 43.6(9) 11_657 12_667
O34 Tb2 O34 43.6(9) . 3_665
O34 Tb2 O34 43.6(9) 2_655 3_665
O34 Tb2 O34 155.3(5) 11_657 3_665
O34 Tb2 O34 129.2(11) 12_667 3_665
O34 Tb2 O34 129.2(11) . 10_557
O34 Tb2 O34 155.3(5) 2_655 10_557
O34 Tb2 O34 43.6(9) 11_657 10_557
O34 Tb2 O34 43.6(9) 12_667 10_557
O34 Tb2 O34 155.2(5) 3_665 10_557
O34 Tb2 O14 177.7(8) . 10_557
O34 Tb2 O14 138.1(7) 2_655 10_557
O34 Tb2 O14 23.4(6) 11_657 10_557
O34 Tb2 O14 24.1(8) 12_667 10_557
O34 Tb2 O14 138.6(5) 3_665 10_557
O34 Tb2 O14 48.5(5) 10_557 10_557
O34 Tb2 O14 23.4(6) . 3_665
O34 Tb2 O14 24.1(8) 2_655 3_665
O34 Tb2 O14 138.6(5) 11_657 3_665
O34 Tb2 O14 177.7(8) 12_667 3_665
O34 Tb2 O14 48.5(5) 3_665 3_665
O34 Tb2 O14 138.1(7) 10_557 3_665
O14 Tb2 O14 157.4(4) 10_557 3_665
O34 Tb2 O14 138.1(7) . 12_667
O34 Tb2 O14 138.6(5) 2_655 12_667
O34 Tb2 O14 24.1(8) 11_657 12_667
O34 Tb2 O14 48.5(5) 12_667 12_667
O34 Tb2 O14 177.7(8) 3_665 12_667
O34 Tb2 O14 23.4(6) 10_557 12_667
O14 Tb2 O14 39.7(6) 10_557 12_667
O14 Tb2 O14 133.8(8) 3_665 12_667
O34 Tb2 O14 138.5(5) . 11_657
O34 Tb2 O14 177.7(8) 2_655 11_657
O34 Tb2 O14 48.5(5) 11_657 11_657
O34 Tb2 O14 23.4(6) 12_667 11_657
O34 Tb2 O14 138.1(7) 3_665 11_657
O34 Tb2 O14 24.1(8) 10_557 11_657
O14 Tb2 O14 39.7(6) 10_557 11_657
O14 Tb2 O14 157.4(4) 3_665 11_657
O14 Tb2 O14 39.7(6) 12_667 11_657
O34 Tb2 O14 24.1(8) . 2_655
O34 Tb2 O14 48.5(5) 2_655 2_655
O34 Tb2 O14 177.7(8) 11_657 2_655
O34 Tb2 O14 138.1(7) 12_667 2_655
O34 Tb2 O14 23.4(6) 3_665 2_655
O34 Tb2 O14 138.5(5) 10_557 2_655
O14 Tb2 O14 157.4(4) 10_557 2_655
O14 Tb2 O14 39.7(6) 3_665 2_655
O14 Tb2 O14 157.4(4) 12_667 2_655
O14 Tb2 O14 133.8(7) 11_657 2_655
O34 Tb2 O14 48.5(5) . .
O34 Tb2 O14 23.4(6) 2_655 .
O34 Tb2 O14 138.1(7) 11_657 .
O34 Tb2 O14 138.6(5) 12_667 .
O34 Tb2 O14 24.1(8) 3_665 .
O34 Tb2 O14 177.7(8) 10_557 .
O14 Tb2 O14 133.8(7) 10_557 .
O14 Tb2 O14 39.7(6) 3_665 .
O14 Tb2 O14 157.4(4) 12_667 .
O14 Tb2 O14 157.4(4) 11_657 .
O14 Tb2 O14 39.7(6) 2_655 .
O21 N11 O11 122.9(5) . .
O21 N11 O31 123.6(5) . .
O11 N11 O31 113.5(4) . .
O21 N11 Tb2 178.7(4) . .
O11 N11 Tb2 55.9(2) . .
O31 N11 Tb2 57.7(2) . .
N11 O11 Tb2 99.1(3) . .
N11 O31 Tb2 97.1(3) . .
O14 N14 O14 93.0(12) . 3_665
O14 N14 O14 93.0(12) . 2_655
O14 N14 O14 93.0(12) 3_665 2_655
O14 N14 O24 123.1(9) . .
O14 N14 O24 123.1(9) 3_665 .
O14 N14 O24 123.1(9) 2_655 .
O14 N14 O34 47.9(13) . 2_655
O14 N14 O34 49.4(14) 3_665 2_655
O14 N14 O34 110.7(11) 2_655 2_655
O24 N14 O34 126.2(11) . 2_655
O14 N14 O34 49.4(14) . 3_665
O14 N14 O34 110.7(11) 3_665 3_665
O14 N14 O34 47.9(13) 2_655 3_665
O24 N14 O34 126.2(11) . 3_665
O34 N14 O34 88.7(16) 2_655 3_665
O14 N14 O34 110.7(11) . .
O14 N14 O34 47.8(13) 3_665 .
O14 N14 O34 49.4(14) 2_655 .
O24 N14 O34 126.2(11) . .
O34 N14 O34 88.7(16) 2_655 .
O34 N14 O34 88.7(16) 3_665 .
O14 N14 Tb2 56.9(9) . .
O14 N14 Tb2 56.9(9) 3_665 .
O14 N14 Tb2 56.9(9) 2_655 .
O24 N14 Tb2 180.000(2) . .
O34 N14 Tb2 53.8(11) 2_655 .
O34 N14 Tb2 53.8(11) 3_665 .
O34 N14 Tb2 53.8(11) . .
O34 O14 O34 124(3) 2_655 3_665
O34 O14 N14 72(2) 2_655 .
O34 O14 N14 70.9(18) 3_665 .
O34 O14 Tb2 74(2) 2_655 .
O34 O14 Tb2 73(2) 3_665 .
N14 O14 Tb2 100.0(9) . .
O14 O14 Tb2 70.1(3) 3_665 .
O14 O14 Tb2 70.1(3) 2_655 .
O14 O34 O14 113(3) 3_665 2_655
O14 O34 N14 60.2(18) 3_665 .
O14 O34 N14 59.7(19) 2_655 .
O14 O34 Tb2 83(2) 3_665 .
O14 O34 Tb2 82(2) 2_655 .
N14 O34 Tb2 100.8(13) . .
O34 O34 Tb2 68.2(5) 2_655 .
O34 O34 Tb2 68.2(5) 3_665 .
O36 Tb3 O36 119.5(2) 9_667 8_457
O36 Tb3 O36 60.5(2) 9_667 .
O36 Tb3 O36 60.5(2) 8_457 .
O36 Tb3 O36 60.5(2) 9_667 2_675
O36 Tb3 O36 180.0(12) 8_457 2_675
O36 Tb3 O36 119.5(2) . 2_675
O36 Tb3 O36 119.5(2) 9_667 7_577
O36 Tb3 O36 119.5(2) 8_457 7_577
O36 Tb3 O36 179.999(8) . 7_577
O36 Tb3 O36 60.5(2) 2_675 7_577
O36 Tb3 O36 179.999(13) 9_667 3_465
O36 Tb3 O36 60.5(2) 8_457 3_465
O36 Tb3 O36 119.5(3) . 3_465
O36 Tb3 O36 119.5(2) 2_675 3_465
O36 Tb3 O36 60.5(2) 7_577 3_465
O36 Tb3 O25 45.2(7) 9_667 .
O36 Tb3 O25 79.3(12) 8_457 .
O36 Tb3 O25 100.7(12) 2_675 .
O36 Tb3 O25 142.3(8) 7_577 .
O36 Tb3 O25 134.8(7) 3_465 .
O36 Tb3 O25 79.3(12) 9_667 2_675
O36 Tb3 O25 142.3(8) 8_457 2_675
O36 Tb3 O25 134.8(7) . 2_675
O36 Tb3 O25 45.2(7) 7_577 2_675
O36 Tb3 O25 100.7(12) 3_465 2_675
O25 Tb3 O25 99.1(6) . 2_675
O36 Tb3 O25 142.3(8) 9_667 3_465
O36 Tb3 O25 100.7(12) . 3_465
O36 Tb3 O25 134.8(7) 2_675 3_465
O36 Tb3 O25 79.3(12) 7_577 3_465
O25 Tb3 O25 99.1(6) . 3_465
O25 Tb3 O25 99.1(6) 2_675 3_465
O36 Tb3 O25 134.8(7) 8_457 9_667
O36 Tb3 O25 79.3(12) . 9_667
O36 Tb3 O25 100.7(12) 7_577 9_667
O36 Tb3 O25 142.3(8) 3_465 9_667
O25 Tb3 O25 80.9(6) . 9_667
O25 Tb3 O25 80.9(6) 2_675 9_667
O25 Tb3 O25 180.000(10) 3_465 9_667
O36 Tb3 O25 100.7(12) 9_667 8_457
O36 Tb3 O25 142.3(8) 2_675 8_457
O36 Tb3 O25 134.8(7) 7_577 8_457
O36 Tb3 O25 79.3(12) 3_465 8_457
O25 Tb3 O25 80.9(6) . 8_457
O25 Tb3 O25 179.998(4) 2_675 8_457
O25 Tb3 O25 80.9(6) 3_465 8_457
O25 Tb3 O25 99.1(6) 9_667 8_457
O36 Tb3 O25 134.8(7) 9_667 7_577
O36 Tb3 O25 100.7(12) 8_457 7_577
O36 Tb3 O25 142.3(8) . 7_577
O25 Tb3 O25 179.999(13) . 7_577
O25 N15 O15 108(3) . .
O25 N15 O35 122.9(16) . .
O15 N15 O35 129(3) . .
O25 N15 Tb3 61.4(13) . .
O15 N15 Tb3 169(3) . .
O35 N15 Tb3 61.8(8) . .
N15 O25 O35 111(2) . 8_457
N15 O25 Tb3 90.8(14) . .
O35 O25 Tb3 71.8(14) 8_457 .
N15 O35 O25 125(2) . 9_667
N15 O35 Tb3 89.4(9) . .
O25 O35 Tb3 71.3(12) 9_667 .
O36 O26 Tb3 81(5) 9_667 .
N16 O26 Tb3 81.4(8) 9_667 .
O26 O36 N16 64(3) 8_457 8_457
O26 O36 Tb3 87(5) 8_457 .
N16 O36 Tb3 87.0(13) 8_457 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.418(3) .
Tb1 O12 2.439(2) .
Co O1 2.0194(16) .
Co N12 2.073(3) .
Co N1 2.083(3) .
Co O12 2.098(2) .
Co O13 2.248(2) .
O1 Co 2.0195(16) 10_557
O1 H1 0.9900 .
O12 C12 1.273(4) .
O22 C12 1.244(4) .
O22 Co 2.076(3) 3_565
N12 C22 1.486(5) .
N12 H12A 0.9100 .
N12 H12B 0.9100 .
C12 C22 1.529(5) .
C22 C32 1.496(7) .
C22 C42 1.517(5) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 H32C 0.9700 .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C42 H42C 0.9700 .
N1 C1 1.107(5) .
C1 C2 1.452(6) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C2 H2C 0.9700 .
N13 O23 1.221(5) .
N13 O23 1.221(5) 10_557
N13 O13 1.280(6) .
O13 Co 2.248(2) 10_557
Tb2 O34 2.35(2) .
Tb2 O14 2.435(17) .
N11 O21 1.212(5) .
N11 O11 1.246(6) .
N11 O31 1.247(6) .
N14 O14 1.141(17) .
N14 O14 1.141(17) 3_665
N14 O24 1.211(10) .
Tb3 O36 2.42(3) .
Tb3 O25 2.43(3) .
Tb3 O25 2.43(3) 2_675
N15 O25 1.289(17) .
N15 O15 1.315(19) .
N15 O35 1.334(17) .
O25 O35 1.54(5) 8_457
O35 O25 1.54(5) 9_667
O26 N16 1.71(3) 9_667
O36 N16 1.47(2) 8_457
