#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:07:05 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179440 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/37/4333723.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_4333723
loop_
_publ_author_name
'Diana Visinescu'
'Luminita Marilena Toma'
'Oscar Fabelo'
'Catalina Ruiz-Pérez'
'Francesc Lloret'
'Miguel Julve'
_publ_contact_author_address
;
 Laboratorio de Rayos X y Materiales Moleculares
 Dpto. Física Fundamental II. Facultad de Física
 Universidad de La Laguna
 E-38204. La Laguna. Tenerife
 Spain
;
_publ_contact_author_name        'Professor Catalina Ruiz-Pérez'
_publ_section_title
;
 Low-Dimensional 3d-4f Complexes Assembled by Low-Spin [FeIII(phen)(CN)4]-
 Anions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1525
_journal_page_last               1537
_journal_paper_doi               10.1021/ic302278q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C76 H60 Fe4 N32 O14 Tb2'
_chemical_formula_weight         2186.80
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 95.178(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.6100(10)
_cell_length_b                   15.8000(10)
_cell_length_c                   34.9370(10)
_cell_measurement_temperature    293(2)
_cell_volume                     4183.6(6)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    CRYSTALMAKER
_computing_publication_material  'PARST97 (Nardelli, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1165
_diffrn_reflns_av_sigmaI/netI    0.0834
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            47856
_diffrn_reflns_theta_full        28.20
_diffrn_reflns_theta_max         28.20
_diffrn_reflns_theta_min         1.17
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    2.426
_exptl_absorpt_correction_T_max  0.8883
_exptl_absorpt_correction_T_min  0.8485
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_description       prism
_exptl_crystal_F_000             2172
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.895
_refine_diff_density_min         -2.183
_refine_diff_density_rms         0.354
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.286
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         9640
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.285
_refine_ls_R_factor_all          0.1069
_refine_ls_R_factor_gt           0.0879
_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)+(0.0781P)²+34.4151P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2263
_refine_ls_wR_factor_ref         0.2441
_reflns_number_gt                8024
_reflns_number_total             9640
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302278q_si_002_2.cif
_cod_data_source_block           Compound_2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4333723
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
Tb1 Tb 0.38949(6) 0.71025(3) 0.013689(13) 0.03255(17) Uani 1 1 d .
Fe1 Fe -0.16417(18) 0.72263(9) -0.09904(4) 0.0349(3) Uani 1 1 d .
Fe2 Fe 0.6813(2) 0.80875(9) 0.15313(4) 0.0386(4) Uani 1 1 d .
O1W O 0.1776(12) 0.6170(6) 0.0384(3) 0.076(3) Uani 1 1 d .
O2W O 0.1767(14) 0.8023(7) 0.0393(3) 0.088(4) Uani 1 1 d .
O3W O 0.534(4) 0.8444(10) 0.0145(4) 0.288(18) Uani 1 1 d .
O4W O 0.7181(10) 0.7321(6) 0.0244(2) 0.054(2) Uani 1 1 d .
N1 N 0.1267(12) 0.7270(6) -0.0329(3) 0.045(2) Uani 1 1 d .
N2 N -0.1996(17) 0.5327(7) -0.0791(4) 0.074(3) Uani 1 1 d .
N3 N -0.4732(13) 0.7437(6) -0.0484(3) 0.048(2) Uani 1 1 d .
N4 N 0.1473(13) 0.6823(7) -0.1472(3) 0.053(2) Uani 1 1 d .
N5 N 0.4678(12) 0.7401(6) 0.0825(3) 0.047(2) Uani 1 1 d .
N6 N 0.7481(18) 0.6253(8) 0.1807(4) 0.082(4) Uani 1 1 d .
N7 N 0.9956(18) 0.7892(9) 0.1038(4) 0.086(4) Uani 1 1 d .
N8 N 0.3363(16) 0.8193(8) 0.1941(3) 0.068(3) Uani 1 1 d .
N9 N -0.1516(12) 0.8447(7) -0.1106(2) 0.046(2) Uani 1 1 d .
N10 N -0.3191(11) 0.7231(6) -0.1483(3) 0.045(2) Uani 1 1 d .
N11 N 0.8220(12) 0.8562(6) 0.1990(2) 0.042(2) Uani 1 1 d .
N12 N 0.6630(11) 0.9323(6) 0.1374(2) 0.043(2) Uani 1 1 d .
N13 N 0.5475(13) 0.5696(5) 0.0409(3) 0.047(2) Uani 1 1 d .
N14 N 0.6048(11) 0.4228(5) 0.0324(2) 0.0390(19) Uani 1 1 d .
N16 N 0.343(3) 0.5341(14) 0.2009(6) 0.127(7) Uani 1 1 d .
C1 C 0.0089(14) 0.7265(6) -0.0563(3) 0.039(2) Uani 1 1 d .
C2 C -0.1849(15) 0.6016(9) -0.0883(4) 0.056(3) Uani 1 1 d .
C3 C -0.3618(14) 0.7391(7) -0.0677(3) 0.039(2) Uani 1 1 d .
C4 C 0.0311(13) 0.6958(6) -0.1296(3) 0.037(2) Uani 1 1 d .
C5 C 0.5416(13) 0.7655(7) 0.1096(3) 0.038(2) Uani 1 1 d .
C6 C 0.7143(17) 0.6919(9) 0.1692(4) 0.056(3) Uani 1 1 d .
C7 C 0.8853(17) 0.7969(8) 0.1231(4) 0.058(3) Uani 1 1 d .
C8 C 0.4644(17) 0.8165(7) 0.1792(3) 0.051(3) Uani 1 1 d .
C9 C -0.0785(16) 0.9080(7) -0.0888(3) 0.049(3) Uani 1 1 d .
H9 H -0.0230 0.8949 -0.0647 0.058 Uiso 1 1 calc R
C10 C -0.0823(17) 0.9918(8) -0.1007(4) 0.057(3) Uani 1 1 d .
H10 H -0.0307 1.0335 -0.0846 0.069 Uiso 1 1 calc R
C11 C -0.1593(16) 1.0126(8) -0.1349(4) 0.059(3) Uani 1 1 d .
H11 H -0.1594 1.0687 -0.1430 0.070 Uiso 1 1 calc R
C12 C -0.2413(14) 0.9494(7) -0.1590(4) 0.050(3) Uani 1 1 d .
C13 C -0.2363(13) 0.8671(7) -0.1449(3) 0.042(2) Uani 1 1 d .
C14 C -0.3213(14) 0.8022(7) -0.1657(3) 0.045(3) Uani 1 1 d .
C15 C -0.4082(16) 0.8140(9) -0.2026(3) 0.056(3) Uani 1 1 d .
C16 C -0.4921(18) 0.7485(12) -0.2213(4) 0.069(4) Uani 1 1 d .
H16 H -0.5489 0.7564 -0.2457 0.083 Uiso 1 1 calc R
C17 C -0.4933(19) 0.6699(13) -0.2040(5) 0.081(5) Uani 1 1 d .
H17 H -0.5530 0.6248 -0.2164 0.098 Uiso 1 1 calc R
C18 C -0.4002(17) 0.6586(9) -0.1663(4) 0.062(3) Uani 1 1 d .
H18 H -0.3975 0.6056 -0.1547 0.075 Uiso 1 1 calc R
C19 C -0.4082(19) 0.8976(11) -0.2181(4) 0.068(4) Uani 1 1 d .
H19 H -0.4630 0.9085 -0.2425 0.081 Uiso 1 1 calc R
C20 C -0.3303(19) 0.9590(12) -0.1977(4) 0.079(5) Uani 1 1 d .
H20 H -0.3318 1.0127 -0.2087 0.095 Uiso 1 1 calc R
C21 C 0.9034(17) 0.8192(9) 0.2289(3) 0.058(3) Uani 1 1 d .
H21 H 0.9014 0.7604 0.2299 0.069 Uiso 1 1 calc R
C22 C 0.9918(18) 0.8617(10) 0.2592(3) 0.063(3) Uani 1 1 d .
H22 H 1.0446 0.8312 0.2799 0.076 Uiso 1 1 calc R
C23 C 1.0036(18) 0.9500(11) 0.2593(4) 0.069(4) Uani 1 1 d .
H23 H 1.0655 0.9790 0.2794 0.083 Uiso 1 1 calc R
C24 C 0.9176(16) 0.9930(8) 0.2278(4) 0.054(3) Uani 1 1 d .
C25 C 0.8300(13) 0.9437(7) 0.1979(3) 0.041(2) Uani 1 1 d .
C26 C 0.7452(14) 0.9833(7) 0.1646(3) 0.043(2) Uani 1 1 d .
C27 C 0.7510(15) 1.0714(6) 0.1600(4) 0.048(3) Uani 1 1 d .
C28 C 0.6719(16) 1.1053(8) 0.1264(4) 0.056(3) Uani 1 1 d .
H28 H 0.6735 1.1635 0.1224 0.067 Uiso 1 1 calc R
C29 C 0.5912(17) 1.0535(8) 0.0990(4) 0.057(3) Uani 1 1 d .
H29 H 0.5377 1.0760 0.0762 0.068 Uiso 1 1 calc R
C30 C 0.5895(15) 0.9648(8) 0.1054(3) 0.049(3) Uani 1 1 d .
H30 H 0.5355 0.9293 0.0867 0.059 Uiso 1 1 calc R
C31 C 0.8400(17) 1.1203(8) 0.1909(4) 0.059(3) Uani 1 1 d .
H31 H 0.8447 1.1789 0.1889 0.071 Uiso 1 1 calc R
C32 C 0.9165(17) 1.0819(9) 0.2227(4) 0.063(4) Uani 1 1 d .
H32 H 0.9709 1.1154 0.2422 0.076 Uiso 1 1 calc R
C33 C 0.627(2) 0.5635(8) 0.0769(4) 0.067(4) Uani 1 1 d .
H33 H 0.6362 0.6119 0.0921 0.081 Uiso 1 1 calc R
C34 C 0.6934(18) 0.4895(7) 0.0918(4) 0.059(3) Uani 1 1 d .
H34 H 0.7474 0.4864 0.1168 0.071 Uiso 1 1 calc R
C35 C 0.6775(16) 0.4204(7) 0.0689(3) 0.047(3) Uani 1 1 d .
H35 H 0.7190 0.3688 0.0788 0.057 Uiso 1 1 calc R
C36 C 0.5446(13) 0.4968(6) 0.0203(3) 0.034(2) Uani 1 1 d .
C37 C 0.184(3) 0.6247(10) 0.1506(6) 0.100(6) Uani 1 1 d .
H37A H 0.0810 0.6476 0.1607 0.120 Uiso 1 1 calc R
H37B H 0.1498 0.5925 0.1279 0.120 Uiso 1 1 calc R
H37C H 0.2605 0.6701 0.1444 0.120 Uiso 1 1 calc R
C38 C 0.273(3) 0.5720(13) 0.1782(6) 0.086(5) Uani 1 1 d .
O1B O 0.6706(19) 0.9794(15) -0.0175(6) 0.183(9) Uani 1 1 d D
O2B O 0.958(6) 0.999(4) -0.001(4) 0.73(5) Uani 1 1 d D
O3B O 0.848(2) 0.8696(10) 0.0131(6) 0.146(7) Uani 1 1 d D
N15B N 0.821(3) 0.9466(13) -0.0016(8) 0.222(18) Uani 1 1 d 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
N N 0.0061 0.0033 '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
O3W Tb1 O1W 149.8(6) . .
O3W Tb1 O2W 77.5(8) . .
O1W Tb1 O2W 75.0(4) . .
O3W Tb1 N5 75.5(4) . .
O1W Tb1 N5 83.0(3) . .
O2W Tb1 N5 68.6(3) . .
O3W Tb1 N1 104.8(8) . .
O1W Tb1 N1 76.9(3) . .
O2W Tb1 N1 69.5(3) . .
N5 Tb1 N1 136.8(3) . .
O3W Tb1 O4W 55.0(9) . .
O1W Tb1 O4W 136.1(3) . .
O2W Tb1 O4W 123.7(3) . .
N5 Tb1 O4W 71.4(3) . .
N1 Tb1 O4W 144.6(3) . .
O3W Tb1 N3 66.5(4) . 1_655
O1W Tb1 N3 140.7(4) . 1_655
O2W Tb1 N3 122.1(4) . 1_655
N5 Tb1 N3 135.1(3) . 1_655
N1 Tb1 N3 77.7(3) . 1_655
O4W Tb1 N3 67.7(3) . 1_655
O3W Tb1 N14 132.7(5) . 3_665
O1W Tb1 N14 77.3(3) . 3_665
O2W Tb1 N14 138.9(3) . 3_665
N5 Tb1 N14 136.6(3) . 3_665
N1 Tb1 N14 75.1(3) . 3_665
O4W Tb1 N14 97.4(3) . 3_665
N3 Tb1 N14 67.5(3) 1_655 3_665
O3W Tb1 N13 123.0(9) . .
O1W Tb1 N13 69.8(3) . .
O2W Tb1 N13 132.0(4) . .
N5 Tb1 N13 75.5(3) . .
N1 Tb1 N13 129.5(3) . .
O4W Tb1 N13 69.6(3) . .
N3 Tb1 N13 105.7(3) 1_655 .
N14 Tb1 N13 61.5(3) 3_665 .
C1 Fe1 C4 86.0(4) . .
C1 Fe1 C3 94.0(4) . .
C4 Fe1 C3 175.1(4) . .
C1 Fe1 C2 86.7(5) . .
C4 Fe1 C2 88.3(5) . .
C3 Fe1 C2 86.8(5) . .
C1 Fe1 N9 95.0(4) . .
C4 Fe1 N9 92.7(4) . .
C3 Fe1 N9 92.2(4) . .
C2 Fe1 N9 178.1(5) . .
C1 Fe1 N10 172.2(4) . .
C4 Fe1 N10 87.1(4) . .
C3 Fe1 N10 93.3(4) . .
C2 Fe1 N10 96.7(5) . .
N9 Fe1 N10 81.7(4) . .
C5 Fe2 C6 86.5(5) . .
C5 Fe2 C8 87.8(5) . .
C6 Fe2 C8 91.0(5) . .
C5 Fe2 C7 87.1(5) . .
C6 Fe2 C7 88.6(5) . .
C8 Fe2 C7 174.9(5) . .
C5 Fe2 N11 178.4(4) . .
C6 Fe2 N11 94.5(5) . .
C8 Fe2 N11 90.9(4) . .
C7 Fe2 N11 94.1(5) . .
C5 Fe2 N12 96.3(4) . .
C6 Fe2 N12 176.4(5) . .
C8 Fe2 N12 91.5(4) . .
C7 Fe2 N12 89.2(5) . .
N11 Fe2 N12 82.8(4) . .
C1 N1 Tb1 172.6(8) . .
C3 N3 Tb1 151.7(9) . 1_455
C5 N5 Tb1 160.3(9) . .
C9 N9 C13 116.4(10) . .
C9 N9 Fe1 129.4(8) . .
C13 N9 Fe1 114.1(8) . .
C18 N10 C14 119.9(11) . .
C18 N10 Fe1 128.5(9) . .
C14 N10 Fe1 111.3(7) . .
C21 N11 C25 116.7(10) . .
C21 N11 Fe2 131.2(9) . .
C25 N11 Fe2 112.1(7) . .
C30 N12 C26 120.0(10) . .
C30 N12 Fe2 128.4(9) . .
C26 N12 Fe2 111.5(7) . .
C33 N13 C36 114.8(9) . .
C33 N13 Tb1 122.9(7) . .
C36 N13 Tb1 122.2(6) . .
C36 N14 C35 115.7(9) . .
C36 N14 Tb1 122.4(7) . 3_665
C35 N14 Tb1 121.7(6) . 3_665
N1 C1 Fe1 172.9(9) . .
N2 C2 Fe1 174.4(13) . .
N3 C3 Fe1 175.5(10) . .
N4 C4 Fe1 178.0(10) . .
N5 C5 Fe2 175.7(9) . .
N6 C6 Fe2 173.5(14) . .
N7 C7 Fe2 175.6(14) . .
N8 C8 Fe2 178.4(13) . .
N9 C9 C10 122.9(11) . .
N9 C9 H9 118.5 . .
C10 C9 H9 118.5 . .
C11 C10 C9 120.2(12) . .
C11 C10 H10 119.9 . .
C9 C10 H10 119.9 . .
C10 C11 C12 119.9(11) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C13 C12 C11 116.8(11) . .
C13 C12 C20 114.9(13) . .
C11 C12 C20 128.3(12) . .
N9 C13 C14 115.7(10) . .
N9 C13 C12 123.6(11) . .
C14 C13 C12 120.7(10) . .
C13 C14 N10 116.8(10) . .
C13 C14 C15 122.8(11) . .
N10 C14 C15 120.4(12) . .
C16 C15 C14 120.2(14) . .
C16 C15 C19 122.7(13) . .
C14 C15 C19 117.1(13) . .
C15 C16 C17 119.8(13) . .
C15 C16 H16 120.1 . .
C17 C16 H16 120.1 . .
C16 C17 C18 119.1(14) . .
C16 C17 H17 120.4 . .
C18 C17 H17 120.4 . .
N10 C18 C17 120.5(14) . .
N10 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C20 C19 C15 119.4(13) . .
C20 C19 H19 120.3 . .
C15 C19 H19 120.3 . .
C19 C20 C12 125.0(14) . .
C19 C20 H20 117.5 . .
C12 C20 H20 117.5 . .
N11 C21 C22 124.1(13) . .
N11 C21 H21 117.9 . .
C22 C21 H21 117.9 . .
C21 C22 C23 121.1(13) . .
C21 C22 H22 119.4 . .
C23 C22 H22 119.4 . .
C22 C23 C24 117.0(12) . .
C22 C23 H23 121.5 . .
C24 C23 H23 121.5 . .
C23 C24 C32 125.0(13) . .
C23 C24 C25 117.9(12) . .
C32 C24 C25 117.1(12) . .
N11 C25 C24 123.2(11) . .
N11 C25 C26 116.3(10) . .
C24 C25 C26 120.6(11) . .
N12 C26 C27 121.8(10) . .
N12 C26 C25 117.3(10) . .
C27 C26 C25 120.9(11) . .
C28 C27 C26 117.9(12) . .
C28 C27 C31 124.6(11) . .
C26 C27 C31 117.5(12) . .
C29 C28 C27 119.9(11) . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C28 C29 C30 119.4(12) . .
C28 C29 H29 120.3 . .
C30 C29 H29 120.3 . .
N12 C30 C29 120.9(12) . .
N12 C30 H30 119.5 . .
C29 C30 H30 119.5 . .
C32 C31 C27 120.8(11) . .
C32 C31 H31 119.6 . .
C27 C31 H31 119.6 . .
C31 C32 C24 123.0(12) . .
C31 C32 H32 118.5 . .
C24 C32 H32 118.5 . .
N13 C33 C34 122.7(11) . .
N13 C33 H33 118.6 . .
C34 C33 H33 118.6 . .
C35 C34 C33 117.0(11) . .
C35 C34 H34 121.5 . .
C33 C34 H34 121.5 . .
N14 C35 C34 123.2(10) . .
N14 C35 H35 118.4 . .
C34 C35 H35 118.4 . .
N14 C36 N13 126.6(9) . .
N14 C36 C36 118.3(10) . 3_665
N13 C36 C36 115.1(10) . 3_665
C38 C37 H37A 109.5 . .
C38 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C38 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
N16 C38 C37 177(2) . .
O2B O2B N15B 145(10) 3_775 .
O2B N15B O1B 114(4) . .
O2B N15B O3B 118(5) . .
O1B N15B O3B 128(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O3W 2.386(12) .
Tb1 O1W 2.401(8) .
Tb1 O2W 2.408(9) .
Tb1 N5 2.469(10) .
Tb1 N1 2.477(10) .
Tb1 O4W 2.519(8) .
Tb1 N3 2.548(9) 1_655
Tb1 N14 2.650(8) 3_665
Tb1 N13 2.661(8) .
Fe1 C1 1.902(11) .
Fe1 C4 1.953(10) .
Fe1 C3 1.955(11) .
Fe1 C2 1.958(14) .
Fe1 N9 1.974(10) .
Fe1 N10 1.995(9) .
Fe2 C5 1.902(11) .
Fe2 C6 1.939(13) .
Fe2 C8 1.960(13) .
Fe2 C7 1.960(14) .
Fe2 N11 1.991(9) .
Fe2 N12 2.029(9) .
N1 C1 1.156(14) .
N2 C2 1.143(16) .
N3 C3 1.133(13) .
N3 Tb1 2.548(9) 1_455
N4 C4 1.141(13) .
N5 C5 1.130(13) .
N6 C6 1.148(16) .
N7 C7 1.130(17) .
N8 C8 1.147(16) .
N9 C9 1.347(15) .
N9 C13 1.356(13) .
N10 C18 1.321(16) .
N10 C14 1.389(14) .
N11 C21 1.306(14) .
N11 C25 1.385(13) .
N12 C30 1.309(14) .
N12 C26 1.354(14) .
N13 C33 1.345(15) .
N13 C36 1.358(12) .
N14 C36 1.311(12) .
N14 C35 1.344(13) .
N14 Tb1 2.650(8) 3_665
N16 C38 1.09(2) .
C9 C10 1.387(16) .
C9 H9 0.9300 .
C10 C11 1.324(18) .
C10 H10 0.9300 .
C11 C12 1.416(18) .
C11 H11 0.9300 .
C12 C13 1.392(15) .
C12 C20 1.463(19) .
C13 C14 1.382(16) .
C14 C15 1.408(16) .
C15 C16 1.35(2) .
C15 C19 1.43(2) .
C16 C17 1.38(2) .
C16 H16 0.9300 .
C17 C18 1.45(2) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.31(2) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.376(18) .
C21 H21 0.9300 .
C22 C23 1.40(2) .
C22 H22 0.9300 .
C23 C24 1.406(18) .
C23 H23 0.9300 .
C24 C32 1.417(18) .
C24 C25 1.418(15) .
C25 C26 1.422(15) .
C26 C27 1.403(15) .
C27 C28 1.379(17) .
C27 C31 1.446(17) .
C28 C29 1.364(19) .
C28 H28 0.9300 .
C29 C30 1.419(17) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.350(19) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.362(16) .
C33 H33 0.9300 .
C34 C35 1.354(16) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C36 1.519(19) 3_665
C37 C38 1.40(3) .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
O1B N15B 1.3301(11) .
O2B O2B 0.63(9) 3_775
O2B N15B 1.3300(11) .
O3B N15B 1.3301(10) .
