#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:19:26 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179572 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/37/4503767.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_4503767
loop_
_publ_author_name
'Yang, Yu-ting'
'Luo, Feng'
'Che, Yun-xia'
'Zheng, Ji-min'
_publ_section_title
;
 Employing An Unprecedented Ferromagnetic Molecular Building Block (MBB)
 of [Co2Ln(μ3-OH)(CO2)5(N3)]2(Ln = Tb, Gd, Dy, Eu, Sm) to Construct a
 6-Connected α-Po Net
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3508
_journal_paper_doi               10.1021/cg800431b
_journal_volume                  8
_journal_year                    2008
_chemical_formula_sum            'C30 H21 Co2 N8 O11 Tb'
_chemical_formula_weight         946.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.87(3)
_cell_angle_beta                 107.33(3)
_cell_angle_gamma                102.11(3)
_cell_formula_units_Z            2
_cell_length_a                   10.925(2)
_cell_length_b                   12.028(2)
_cell_length_c                   14.663(3)
_cell_measurement_reflns_used    14919
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.04
_cell_volume                     1651.6(9)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16276
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    3.184
_exptl_absorpt_correction_T_max  0.5410
_exptl_absorpt_correction_T_min  0.3221
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.043
_refine_diff_density_min         -0.932
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       0.0005(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         7484
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0244P)²+1.4584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0591
_refine_ls_wR_factor_ref         0.0605
_reflns_number_gt                6944
_reflns_number_total             7484
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg800431b_si_004.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'refu' changed to
'refU' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1651.6(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4503767
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.5755(3) 0.7043(3) 0.45143(19) 0.0201(5) Uani 1 1 d .
C2 C 0.6650(3) 0.7506(2) 0.12735(19) 0.0194(5) Uani 1 1 d .
H2 H 0.5792 0.7292 0.0765 0.023 Uiso 1 1 calc R
C3 C 0.8058(3) 0.8255(3) 0.2996(2) 0.0298(6) Uani 1 1 d .
H3 H 0.8175 0.8533 0.3692 0.036 Uiso 1 1 calc R
C4 C 0.2642(3) 0.4977(3) -0.3481(2) 0.0306(7) Uani 1 1 d .
H4 H 0.2862 0.4889 -0.4059 0.037 Uiso 1 1 calc R
C5 C 0.9001(3) 0.7759(3) 0.1722(2) 0.0269(6) Uani 1 1 d .
H5 H 0.9739 0.7710 0.1538 0.032 Uiso 1 1 calc R
C6 C 0.7718(3) 0.7385(2) 0.09636(18) 0.0194(5) Uani 1 1 d .
C7 C 0.7125(3) 1.1749(3) 0.5258(2) 0.0224(5) Uani 1 1 d .
C8 C 0.6064(3) 0.7487(2) 0.56659(19) 0.0218(5) Uani 1 1 d .
C9 C 0.2925(3) 0.8103(2) 0.10531(19) 0.0214(5) Uani 1 1 d .
C10 C 0.9178(3) 0.8207(3) 0.2756(2) 0.0347(7) Uani 1 1 d .
H10 H 1.0036 0.8472 0.3280 0.042 Uiso 1 1 calc R
C11 C 0.3282(3) 0.5313(3) -0.17603(19) 0.0212(5) Uani 1 1 d .
H11 H 0.3956 0.5471 -0.1128 0.025 Uiso 1 1 calc R
C12 C 0.7461(3) 0.6744(2) -0.01714(19) 0.0194(5) Uani 1 1 d .
C13 C 0.1977(2) 0.5213(3) -0.18047(19) 0.0202(5) Uani 1 1 d .
C14 C 0.2452(3) 0.8527(3) 0.0189(2) 0.0255(6) Uani 1 1 d .
C15 C 0.6421(3) 1.0505(2) 0.46379(19) 0.0198(5) Uani 1 1 d .
H15 H 0.6063 1.0007 0.4935 0.024 Uiso 1 1 calc R
C16 C 0.1325(3) 0.4876(4) -0.3590(2) 0.0400(8) Uani 1 1 d .
H16 H 0.0675 0.4738 -0.4228 0.048 Uiso 1 1 calc R
C17 C 0.6710(3) 1.0711(3) 0.3208(2) 0.0330(7) Uani 1 1 d .
H17 H 0.6554 1.0366 0.2506 0.040 Uiso 1 1 calc R
C18 C 0.7656(4) 1.2485(3) 0.4810(2) 0.0408(8) Uani 1 1 d .
H18 H 0.8157 1.3319 0.5202 0.049 Uiso 1 1 calc R
C19 C 0.5563(3) 0.6649(3) 0.60452(19) 0.0224(5) Uani 1 1 d .
H19 H 0.5001 0.5855 0.5569 0.027 Uiso 1 1 calc R
C20 C 0.3366(3) 0.9195(4) -0.0086(3) 0.0481(10) Uani 1 1 d .
H20 H 0.4289 0.9393 0.0290 0.058 Uiso 1 1 calc R
C21 C 0.7175(3) 1.2256(2) 0.63501(19) 0.0212(5) Uani 1 1 d .
C22 C 0.6591(4) 0.8082(3) 0.7726(2) 0.0361(7) Uani 1 1 d .
H22 H 0.6770 0.8295 0.8430 0.043 Uiso 1 1 calc R
C23 C 0.6855(4) 0.8677(3) 0.6366(2) 0.0360(7) Uani 1 1 d .
H23 H 0.7210 0.9266 0.6141 0.043 Uiso 1 1 calc R
C24 C 0.7426(4) 1.1955(3) 0.3768(3) 0.0495(10) Uani 1 1 d .
H24 H 0.7754 1.2436 0.3447 0.059 Uiso 1 1 calc R
C25 C 0.7110(4) 0.8981(3) 0.7412(2) 0.0451(9) Uani 1 1 d .
H25 H 0.7626 0.9782 0.7898 0.054 Uiso 1 1 calc R
C26 C 0.1084(3) 0.8232(3) -0.0374(3) 0.0393(8) Uani 1 1 d .
H26 H 0.0440 0.7788 -0.0207 0.047 Uiso 1 1 calc R
C27 C 0.3002(3) 0.9568(4) -0.0857(3) 0.0548(12) Uani 1 1 d .
H27 H 0.3648 1.0016 -0.1019 0.066 Uiso 1 1 calc R
C28 C 0.1693(4) 0.9283(5) -0.1385(3) 0.0600(12) Uani 1 1 d .
H28 H 0.1433 0.9554 -0.1919 0.072 Uiso 1 1 calc R
C29 C 0.0975(3) 0.4982(3) -0.2743(2) 0.0335(7) Uani 1 1 d .
H29 H 0.0086 0.4900 -0.2803 0.040 Uiso 1 1 calc R
C30 C 0.1712(2) 0.5321(2) -0.08449(19) 0.0196(5) Uani 1 1 d .
Co3 Co 0.51679(3) 0.80229(3) 0.28079(2) 0.01778(8) Uani 1 1 d .
Co4 Co 0.43477(3) 0.46454(3) 0.24725(2) 0.01784(8) Uani 1 1 d .
H9A H 0.428(4) 0.601(4) 0.152(3) 0.037(10) Uiso 1 1 d .
N1 N 0.2314(2) 0.4465(2) 0.24748(17) 0.0255(5) Uani 1 1 d .
N2 N 0.2110(2) 0.4446(2) 0.32302(19) 0.0279(5) Uani 1 1 d .
N3 N 0.1895(3) 0.4404(4) 0.3939(2) 0.0522(9) Uani 1 1 d .
N4 N 0.6229(2) 0.9982(2) 0.36402(16) 0.0218(5) Uani 1 1 d .
N5 N 0.6807(2) 0.7919(2) 0.22742(16) 0.0215(5) Uani 1 1 d .
N6 N 0.5839(2) 0.6914(2) 0.70592(16) 0.0233(5) Uani 1 1 d .
N7 N 0.3621(2) 0.5194(2) -0.25799(17) 0.0233(5) Uani 1 1 d .
N8 N 0.0677(4) 0.8603(4) -0.1192(3) 0.0727(12) Uani 1 1 d .
O1 O 0.04954(18) 0.51101(19) -0.08875(15) 0.0260(4) Uani 1 1 d .
O2 O 0.26968(18) 0.56205(19) -0.00166(13) 0.0236(4) Uani 1 1 d .
O3 O 0.20099(19) 0.74797(19) 0.12372(15) 0.0258(4) Uani 1 1 d .
O4 O 0.41803(19) 0.83756(19) 0.15235(14) 0.0248(4) Uani 1 1 d .
O5 O 0.6224(2) 1.1669(2) 0.65001(15) 0.0343(5) Uani 1 1 d .
O6 O 0.8129(2) 1.32189(18) 0.70097(14) 0.0284(4) Uani 1 1 d .
O7 O 0.5080(2) 0.59178(18) 0.39980(13) 0.0269(4) Uani 1 1 d .
O8 O 0.6207(2) 0.78070(19) 0.41789(14) 0.0290(4) Uani 1 1 d .
O9 O 0.41471(17) 0.61021(17) 0.19923(13) 0.0183(4) Uani 1 1 d .
O10 O 0.84267(18) 0.64105(18) -0.03345(14) 0.0239(4) Uani 1 1 d .
O11 O 0.63325(19) 0.65347(19) -0.08524(13) 0.0239(4) Uani 1 1 d .
Tb1 Tb 0.179574(11) 0.559418(11) 0.135240(8) 0.01625(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'
O O 0.0106 0.0060 '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'
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'
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
O8 C1 O7 126.9(2) . .
O8 C1 C8 118.1(2) . .
O7 C1 C8 115.0(2) . .
N5 C2 C6 122.7(2) . .
N5 C2 H2 118.6 . .
C6 C2 H2 118.6 . .
N5 C3 C10 123.2(2) . .
N5 C3 H3 118.4 . .
C10 C3 H3 118.4 . .
N7 C4 C16 122.9(2) . .
N7 C4 H4 118.6 . .
C16 C4 H4 118.6 . .
C6 C5 C10 119.2(2) . .
C6 C5 H5 120.4 . .
C10 C5 H5 120.4 . .
C5 C6 C2 118.4(2) . .
C5 C6 C12 120.4(2) . .
C2 C6 C12 120.9(2) . .
C18 C7 C15 117.8(2) . .
C18 C7 C21 123.1(3) . .
C15 C7 C21 118.8(2) . .
C23 C8 C19 118.1(2) . .
C23 C8 C1 123.3(2) . .
C19 C8 C1 118.5(2) . .
O4 C9 O3 125.4(2) . .
O4 C9 C14 118.0(2) . .
O3 C9 C14 116.6(2) . .
C3 C10 C5 118.6(3) . .
C3 C10 H10 120.7 . .
C5 C10 H10 120.7 . .
N7 C11 C13 123.3(2) . .
N7 C11 H11 118.3 . .
C13 C11 H11 118.3 . .
O11 C12 O10 125.8(2) . .
O11 C12 C6 119.4(2) . .
O10 C12 C6 114.7(2) . .
C29 C13 C11 118.4(2) . .
C29 C13 C30 123.1(2) . .
C11 C13 C30 118.4(2) . .
C26 C14 C20 118.0(3) . .
C26 C14 C9 120.8(2) . .
C20 C14 C9 121.2(3) . .
N4 C15 C7 123.7(2) . .
N4 C15 H15 118.1 . .
C7 C15 H15 118.1 . .
C4 C16 C29 119.3(3) . .
C4 C16 H16 120.3 . .
C29 C16 H16 120.3 . .
N4 C17 C24 122.2(3) . .
N4 C17 H17 118.9 . .
C24 C17 H17 118.9 . .
C24 C18 C7 118.7(3) . .
C24 C18 H18 120.7 . .
C7 C18 H18 120.7 . .
N6 C19 C8 123.9(3) . .
N6 C19 H19 118.1 . .
C8 C19 H19 118.1 . .
C27 C20 C14 123.6(3) . .
C27 C20 H20 118.2 . .
C14 C20 H20 118.2 . .
O5 C21 O6 126.1(2) . .
O5 C21 C7 115.3(2) . .
O6 C21 C7 118.6(2) . .
N6 C22 C25 122.8(3) . .
N6 C22 H22 118.6 . .
C25 C22 H22 118.6 . .
C8 C23 C25 118.8(3) . .
C8 C23 H23 120.6 . .
C25 C23 H23 120.6 . .
C17 C24 C18 119.7(3) . .
C17 C24 H24 120.1 . .
C18 C24 H24 120.1 . .
C22 C25 C23 119.3(3) . .
C22 C25 H25 120.3 . .
C23 C25 H25 120.3 . .
C14 C26 N8 119.5(3) . .
C14 C26 H26 120.3 . .
N8 C26 H26 120.3 . .
C28 C27 C20 117.7(3) . .
C28 C27 H27 121.1 . .
C20 C27 H27 121.1 . .
C27 C28 N8 124.0(3) . .
C27 C28 H28 118.0 . .
N8 C28 H28 118.0 . .
C13 C29 C16 118.5(3) . .
C13 C29 H29 120.8 . .
C16 C29 H29 120.8 . .
O2 C30 O1 121.7(2) . .
O2 C30 C13 118.5(2) . .
O1 C30 C13 119.8(2) . .
O4 Co3 O5 94.43(9) . 2_676
O4 Co3 O9 91.79(8) . .
O5 Co3 O9 94.85(8) 2_676 .
O4 Co3 O8 175.73(8) . .
O5 Co3 O8 83.98(9) 2_676 .
O9 Co3 O8 92.29(8) . .
O4 Co3 N4 88.40(9) . .
O5 Co3 N4 85.68(9) 2_676 .
O9 Co3 N4 179.42(8) . .
O8 Co3 N4 87.52(9) . .
O4 Co3 N5 88.93(8) . .
O5 Co3 N5 172.28(8) 2_676 .
O9 Co3 N5 91.97(8) . .
O8 Co3 N5 92.18(8) . .
N4 Co3 N5 87.48(9) . .
O7 Co4 O9 88.04(8) . .
O7 Co4 N7 90.58(9) . 2_665
O9 Co4 N7 98.08(9) . 2_665
O7 Co4 O11 174.60(8) . 2_665
O9 Co4 O11 87.28(8) . 2_665
N7 Co4 O11 87.41(9) 2_665 2_665
O7 Co4 N6 92.29(8) . 2_666
O9 Co4 N6 169.22(8) . 2_666
N7 Co4 N6 92.69(9) 2_665 2_666
O11 Co4 N6 92.81(8) 2_665 2_666
O7 Co4 N1 86.53(9) . .
O9 Co4 N1 85.06(8) . .
N7 Co4 N1 175.66(8) 2_665 .
O11 Co4 N1 95.75(9) 2_665 .
N6 Co4 N1 84.20(9) 2_666 .
O7 Co4 Tb1 99.95(7) . .
O9 Co4 Tb1 42.42(5) . .
N7 Co4 Tb1 137.83(6) 2_665 .
O11 Co4 Tb1 78.33(6) 2_665 .
N6 Co4 Tb1 127.11(7) 2_666 .
N1 Co4 Tb1 46.09(6) . .
N2 N1 Co4 119.47(19) . .
N2 N1 Tb1 134.5(2) . .
Co4 N1 Tb1 93.91(8) . .
N3 N2 N1 178.6(4) . .
C15 N4 C17 117.8(2) . .
C15 N4 Co3 118.75(17) . .
C17 N4 Co3 123.41(18) . .
C3 N5 C2 117.7(2) . .
C3 N5 Co3 117.56(17) . .
C2 N5 Co3 124.65(18) . .
C22 N6 C19 117.0(2) . .
C22 N6 Co4 122.95(18) . 2_666
C19 N6 Co4 116.59(19) . 2_666
C11 N7 C4 117.6(2) . .
C11 N7 Co4 121.92(18) . 2_665
C4 N7 Co4 120.51(18) . 2_665
C28 N8 C26 117.2(3) . .
C30 O1 Tb1 166.34(18) . 2_565
C30 O2 Tb1 107.86(15) . .
C9 O3 Tb1 127.34(18) . .
C9 O4 Co3 127.55(17) . .
C21 O5 Co3 140.1(2) . 2_676
C21 O6 Tb1 124.82(16) . 2_676
C1 O7 Co4 138.10(17) . .
C1 O8 Co3 127.05(18) . .
Co4 O9 Co3 129.53(9) . .
Co4 O9 Tb1 99.89(8) . .
Co3 O9 Tb1 112.74(9) . .
Co4 O9 H9A 110(3) . .
Co3 O9 H9A 100(3) . .
Tb1 O9 H9A 102(3) . .
C12 O10 Tb1 124.54(17) . 2_665
C12 O11 Co4 124.52(17) . 2_665
O1 Tb1 O3 98.89(8) 2_565 .
O1 Tb1 O9 170.11(7) 2_565 .
O3 Tb1 O9 89.80(7) . .
O1 Tb1 O10 86.71(8) 2_565 2_665
O3 Tb1 O10 138.99(7) . 2_665
O9 Tb1 O10 89.82(8) . 2_665
O1 Tb1 O6 85.26(8) 2_565 2_676
O3 Tb1 O6 79.53(7) . 2_676
O9 Tb1 O6 91.73(8) . 2_676
O10 Tb1 O6 141.47(7) 2_665 2_676
O1 Tb1 N1 95.30(8) 2_565 .
O3 Tb1 N1 147.24(8) . .
O9 Tb1 N1 74.81(7) . .
O10 Tb1 N1 70.95(8) 2_665 .
O6 Tb1 N1 72.37(8) 2_676 .
O1 Tb1 O2 118.92(7) 2_565 .
O3 Tb1 O2 72.06(7) . .
O9 Tb1 O2 68.21(6) . .
O10 Tb1 O2 69.83(7) 2_665 .
O6 Tb1 O2 144.78(7) 2_676 .
N1 Tb1 O2 125.07(7) . .
O1 Tb1 Co4 132.82(6) 2_565 .
O3 Tb1 Co4 126.74(6) . .
O9 Tb1 Co4 37.68(5) . .
O10 Tb1 Co4 67.52(6) 2_665 .
O6 Tb1 Co4 91.32(6) 2_676 .
N1 Tb1 Co4 40.00(5) . .
O2 Tb1 Co4 89.36(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O8 1.249(3) .
C1 O7 1.253(3) .
C1 C8 1.511(3) .
C2 N5 1.340(3) .
C2 C6 1.391(3) .
C2 H2 0.9300 .
C3 N5 1.340(4) .
C3 C10 1.378(4) .
C3 H3 0.9300 .
C4 N7 1.336(4) .
C4 C16 1.375(4) .
C4 H4 0.9300 .
C5 C6 1.380(4) .
C5 C10 1.382(4) .
C5 H5 0.9300 .
C6 C12 1.512(3) .
C7 C18 1.386(4) .
C7 C15 1.386(4) .
C7 C21 1.508(3) .
C8 C23 1.379(4) .
C8 C19 1.385(4) .
C9 O4 1.254(3) .
C9 O3 1.267(3) .
C9 C14 1.500(4) .
C10 H10 0.9300 .
C11 N7 1.336(3) .
C11 C13 1.385(3) .
C11 H11 0.9300 .
C12 O11 1.250(3) .
C12 O10 1.265(3) .
C13 C29 1.382(4) .
C13 C30 1.493(3) .
C14 C26 1.379(4) .
C14 C20 1.382(4) .
C15 N4 1.333(3) .
C15 H15 0.9300 .
C16 C29 1.383(4) .
C16 H16 0.9300 .
C17 N4 1.340(3) .
C17 C24 1.377(4) .
C17 H17 0.9300 .
C18 C24 1.381(4) .
C18 H18 0.9300 .
C19 N6 1.343(3) .
C19 H19 0.9300 .
C20 C27 1.325(4) .
C20 H20 0.9300 .
C21 O5 1.246(3) .
C21 O6 1.253(3) .
C22 N6 1.340(4) .
C22 C25 1.381(5) .
C22 H22 0.9300 .
C23 C25 1.386(4) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 N8 1.389(5) .
C26 H26 0.9300 .
C27 C28 1.316(5) .
C27 H27 0.9300 .
C28 N8 1.389(5) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 O2 1.246(3) .
C30 O1 1.278(3) .
Co3 O4 2.089(2) .
Co3 O5 2.0983(19) 2_676
Co3 O9 2.107(2) .
Co3 O8 2.117(2) .
Co3 N4 2.152(2) .
Co3 N5 2.169(2) .
Co4 O7 2.075(2) .
Co4 O9 2.107(2) .
Co4 N7 2.140(2) 2_665
Co4 O11 2.156(2) 2_665
Co4 N6 2.179(2) 2_666
Co4 N1 2.188(2) .
Co4 Tb1 3.3955(10) .
N1 N2 1.199(3) .
N1 Tb1 2.452(2) .
N2 N3 1.145(3) .
N6 Co4 2.179(2) 2_666
N7 Co4 2.140(2) 2_665
O1 Tb1 2.2775(19) 2_565
O2 Tb1 2.4905(17) .
O3 Tb1 2.294(2) .
O5 Co3 2.0983(19) 2_676
O6 Tb1 2.354(2) 2_676
O9 Tb1 2.3251(19) .
O9 H9A 0.73(4) .
O10 Tb1 2.330(2) 2_665
O11 Co4 2.156(2) 2_665
Tb1 O1 2.2775(19) 2_565
Tb1 O10 2.330(2) 2_665
Tb1 O6 2.354(2) 2_676
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
_geom_torsion_site_symmetry_4
C10 C5 C6 C2 1.7(4) . .
C10 C5 C6 C12 -172.3(3) . .
N5 C2 C6 C5 -3.0(4) . .
N5 C2 C6 C12 171.0(2) . .
O8 C1 C8 C23 -2.2(4) . .
O7 C1 C8 C23 176.4(3) . .
O8 C1 C8 C19 179.7(3) . .
O7 C1 C8 C19 -1.7(4) . .
N5 C3 C10 C5 -2.0(5) . .
C6 C5 C10 C3 0.6(5) . .
C5 C6 C12 O11 -172.2(3) . .
C2 C6 C12 O11 14.0(4) . .
C5 C6 C12 O10 11.1(4) . .
C2 C6 C12 O10 -162.7(2) . .
N7 C11 C13 C29 -0.2(4) . .
N7 C11 C13 C30 178.0(3) . .
O4 C9 C14 C26 178.5(3) . .
O3 C9 C14 C26 -0.6(4) . .
O4 C9 C14 C20 0.2(5) . .
O3 C9 C14 C20 -178.9(3) . .
C18 C7 C15 N4 0.0(4) . .
C21 C7 C15 N4 175.0(2) . .
N7 C4 C16 C29 -1.1(6) . .
C15 C7 C18 C24 1.8(5) . .
C21 C7 C18 C24 -172.9(3) . .
C23 C8 C19 N6 -2.4(4) . .
C1 C8 C19 N6 175.8(2) . .
C26 C14 C20 C27 0.2(6) . .
C9 C14 C20 C27 178.5(4) . .
C18 C7 C21 O5 150.2(3) . .
C15 C7 C21 O5 -24.5(4) . .
C18 C7 C21 O6 -28.5(4) . .
C15 C7 C21 O6 156.8(3) . .
C19 C8 C23 C25 0.0(5) . .
C1 C8 C23 C25 -178.1(3) . .
N4 C17 C24 C18 -0.6(6) . .
C7 C18 C24 C17 -1.6(6) . .
N6 C22 C25 C23 -0.1(6) . .
C8 C23 C25 C22 1.2(6) . .
C20 C14 C26 N8 0.5(6) . .
C9 C14 C26 N8 -177.9(3) . .
C14 C20 C27 C28 0.1(7) . .
C20 C27 C28 N8 -0.9(8) . .
C11 C13 C29 C16 -0.7(5) . .
C30 C13 C29 C16 -178.8(3) . .
C4 C16 C29 C13 1.3(6) . .
C29 C13 C30 O2 -174.8(3) . .
C11 C13 C30 O2 7.2(4) . .
C29 C13 C30 O1 5.0(4) . .
C11 C13 C30 O1 -173.0(3) . .
O7 Co4 N1 N2 -40.4(2) . .
O9 Co4 N1 N2 -128.7(2) . .
N7 Co4 N1 N2 7.9(14) 2_665 .
O11 Co4 N1 N2 144.5(2) 2_665 .
N6 Co4 N1 N2 52.2(2) 2_666 .
Tb1 Co4 N1 N2 -147.8(3) . .
O7 Co4 N1 Tb1 107.37(9) . .
O9 Co4 N1 Tb1 19.04(8) . .
N7 Co4 N1 Tb1 155.7(12) 2_665 .
O11 Co4 N1 Tb1 -67.71(9) 2_665 .
N6 Co4 N1 Tb1 -159.97(9) 2_666 .
Co4 N1 N2 N3 -119(13) . .
Tb1 N1 N2 N3 109(13) . .
C7 C15 N4 C17 -2.1(4) . .
C7 C15 N4 Co3 178.0(2) . .
C24 C17 N4 C15 2.4(5) . .
C24 C17 N4 Co3 -177.7(3) . .
O4 Co3 N4 C15 139.9(2) . .
O5 Co3 N4 C15 45.3(2) 2_676 .
O9 Co3 N4 C15 -110(8) . .
O8 Co3 N4 C15 -38.8(2) . .
N5 Co3 N4 C15 -131.1(2) . .
O4 Co3 N4 C17 -40.0(3) . .
O5 Co3 N4 C17 -134.5(3) 2_676 .
O9 Co3 N4 C17 70(8) . .
O8 Co3 N4 C17 141.3(3) . .
N5 Co3 N4 C17 49.1(3) . .
C10 C3 N5 C2 0.8(5) . .
C10 C3 N5 Co3 178.7(3) . .
C6 C2 N5 C3 1.7(4) . .
C6 C2 N5 Co3 -176.0(2) . .
O4 Co3 N5 C3 150.0(2) . .
O5 Co3 N5 C3 34.0(8) 2_676 .
O9 Co3 N5 C3 -118.2(2) . .
O8 Co3 N5 C3 -25.9(2) . .
N4 Co3 N5 C3 61.6(2) . .
O4 Co3 N5 C2 -32.3(2) . .
O5 Co3 N5 C2 -148.3(6) 2_676 .
O9 Co3 N5 C2 59.5(2) . .
O8 Co3 N5 C2 151.9(2) . .
N4 Co3 N5 C2 -120.7(2) . .
C25 C22 N6 C19 -2.1(5) . .
C25 C22 N6 Co4 156.2(3) . 2_666
C8 C19 N6 C22 3.4(4) . .
C8 C19 N6 Co4 -156.3(2) . 2_666
C13 C11 N7 C4 0.5(4) . .
C13 C11 N7 Co4 -179.9(2) . 2_665
C16 C4 N7 C11 0.2(5) . .
C16 C4 N7 Co4 -179.4(3) . 2_665
C27 C28 N8 C26 1.5(8) . .
C14 C26 N8 C28 -1.2(6) . .
O2 C30 O1 Tb1 -147.6(7) . 2_565
C13 C30 O1 Tb1 32.6(9) . 2_565
O1 C30 O2 Tb1 2.8(3) . .
C13 C30 O2 Tb1 -177.40(19) . .
O4 C9 O3 Tb1 -51.0(4) . .
C14 C9 O3 Tb1 128.0(2) . .
O3 C9 O4 Co3 -4.9(4) . .
C14 C9 O4 Co3 176.03(18) . .
O5 Co3 O4 C9 -36.5(2) 2_676 .
O9 Co3 O4 C9 58.5(2) . .
O8 Co3 O4 C9 -104.4(10) . .
N4 Co3 O4 C9 -122.1(2) . .
N5 Co3 O4 C9 150.4(2) . .
O6 C21 O5 Co3 45.4(5) . 2_676
C7 C21 O5 Co3 -133.2(3) . 2_676
O5 C21 O6 Tb1 -11.4(4) . 2_676
C7 C21 O6 Tb1 167.17(18) . 2_676
O8 C1 O7 Co4 1.6(5) . .
C8 C1 O7 Co4 -176.86(19) . .
O9 Co4 O7 C1 -32.2(3) . .
N7 Co4 O7 C1 65.9(3) 2_665 .
O11 Co4 O7 C1 -2.1(10) 2_665 .
N6 Co4 O7 C1 158.6(3) 2_666 .
N1 Co4 O7 C1 -117.3(3) . .
Tb1 Co4 O7 C1 -73.0(3) . .
O7 C1 O8 Co3 44.2(4) . .
C8 C1 O8 Co3 -137.4(2) . .
O4 Co3 O8 C1 126.7(9) . .
O5 Co3 O8 C1 58.4(2) 2_676 .
O9 Co3 O8 C1 -36.3(2) . .
N4 Co3 O8 C1 144.3(2) . .
N5 Co3 O8 C1 -128.3(2) . .
O7 Co4 O9 Co3 23.68(12) . .
N7 Co4 O9 Co3 -66.63(13) 2_665 .
O11 Co4 O9 Co3 -153.62(12) 2_665 .
N6 Co4 O9 Co3 115.6(4) 2_666 .
N1 Co4 O9 Co3 110.36(13) . .
Tb1 Co4 O9 Co3 130.75(15) . .
O7 Co4 O9 Tb1 -107.08(9) . .
N7 Co4 O9 Tb1 162.62(8) 2_665 .
O11 Co4 O9 Tb1 75.63(8) 2_665 .
N6 Co4 O9 Tb1 -15.1(4) 2_666 .
N1 Co4 O9 Tb1 -20.39(8) . .
O4 Co3 O9 Co4 177.28(11) . .
O5 Co3 O9 Co4 -88.12(12) 2_676 .
O8 Co3 O9 Co4 -3.98(12) . .
N4 Co3 O9 Co4 68(8) . .
N5 Co3 O9 Co4 88.28(12) . .
O4 Co3 O9 Tb1 -56.74(9) . .
O5 Co3 O9 Tb1 37.86(10) 2_676 .
O8 Co3 O9 Tb1 122.00(9) . .
N4 Co3 O9 Tb1 -167(35) . .
N5 Co3 O9 Tb1 -145.74(9) . .
O11 C12 O10 Tb1 -50.0(3) . 2_665
C6 C12 O10 Tb1 126.44(19) . 2_665
O10 C12 O11 Co4 7.9(4) . 2_665
C6 C12 O11 Co4 -168.44(17) . 2_665
C9 O3 Tb1 O1 -153.2(2) . 2_565
C9 O3 Tb1 O9 31.5(2) . .
C9 O3 Tb1 O10 -58.0(3) . 2_665
C9 O3 Tb1 O6 123.3(2) . 2_676
C9 O3 Tb1 N1 92.2(2) . .
C9 O3 Tb1 O2 -35.6(2) . .
C9 O3 Tb1 Co4 39.5(2) . .
Co4 O9 Tb1 O1 17.8(4) . 2_565
Co3 O9 Tb1 O1 -122.9(4) . 2_565
Co4 O9 Tb1 O3 169.44(7) . .
Co3 O9 Tb1 O3 28.76(8) . .
Co4 O9 Tb1 O10 -51.57(7) . 2_665
Co3 O9 Tb1 O10 167.74(8) . 2_665
Co4 O9 Tb1 O6 89.92(8) . 2_676
Co3 O9 Tb1 O6 -50.76(9) . 2_676
Co4 O9 Tb1 N1 18.72(7) . .
Co3 O9 Tb1 N1 -121.97(10) . .
Co4 O9 Tb1 O2 -119.84(9) . .
Co3 O9 Tb1 O2 99.47(10) . .
Co3 O9 Tb1 Co4 -140.69(12) . .
N2 N1 Tb1 O1 -58.5(3) . 2_565
Co4 N1 Tb1 O1 162.08(8) . 2_565
N2 N1 Tb1 O3 57.0(3) . .
Co4 N1 Tb1 O3 -82.40(14) . .
N2 N1 Tb1 O9 121.6(3) . .
Co4 N1 Tb1 O9 -17.77(7) . .
N2 N1 Tb1 O10 -143.2(3) . 2_665
Co4 N1 Tb1 O10 77.41(9) . 2_665
N2 N1 Tb1 O6 24.8(3) . 2_676
Co4 N1 Tb1 O6 -114.61(10) . 2_676
N2 N1 Tb1 O2 170.3(3) . .
Co4 N1 Tb1 O2 30.90(12) . .
N2 N1 Tb1 Co4 139.4(3) . .
C30 O2 Tb1 O1 6.0(2) . 2_565
C30 O2 Tb1 O3 -84.39(18) . .
C30 O2 Tb1 O9 178.40(19) . .
C30 O2 Tb1 O10 80.16(18) . 2_665
C30 O2 Tb1 O6 -122.24(19) . 2_676
C30 O2 Tb1 N1 127.10(18) . .
C30 O2 Tb1 Co4 146.37(17) . .
O7 Co4 Tb1 O1 -99.97(9) . 2_565
O9 Co4 Tb1 O1 -175.89(9) . 2_565
N7 Co4 Tb1 O1 157.97(12) 2_665 2_565
O11 Co4 Tb1 O1 85.24(9) 2_665 2_565
N6 Co4 Tb1 O1 0.60(10) 2_666 2_565
N1 Co4 Tb1 O1 -24.69(11) . 2_565
O7 Co4 Tb1 O3 62.70(9) . .
O9 Co4 Tb1 O3 -13.22(9) . .
N7 Co4 Tb1 O3 -39.36(11) 2_665 .
O11 Co4 Tb1 O3 -112.09(9) 2_665 .
N6 Co4 Tb1 O3 163.27(9) 2_666 .
N1 Co4 Tb1 O3 137.98(11) . .
O7 Co4 Tb1 O9 75.92(10) . .
N7 Co4 Tb1 O9 -26.14(12) 2_665 .
O11 Co4 Tb1 O9 -98.87(10) 2_665 .
N6 Co4 Tb1 O9 176.49(10) 2_666 .
N1 Co4 Tb1 O9 151.20(12) . .
O7 Co4 Tb1 O10 -162.06(7) . 2_665
O9 Co4 Tb1 O10 122.03(9) . 2_665
N7 Co4 Tb1 O10 95.89(11) 2_665 2_665
O11 Co4 Tb1 O10 23.16(7) 2_665 2_665
N6 Co4 Tb1 O10 -61.48(9) 2_666 2_665
N1 Co4 Tb1 O10 -86.78(10) . 2_665
O7 Co4 Tb1 O6 -15.20(7) . 2_676
O9 Co4 Tb1 O6 -91.12(9) . 2_676
N7 Co4 Tb1 O6 -117.26(11) 2_665 2_676
O11 Co4 Tb1 O6 170.01(7) 2_665 2_676
N6 Co4 Tb1 O6 85.37(9) 2_666 2_676
N1 Co4 Tb1 O6 60.08(11) . 2_676
O7 Co4 Tb1 N1 -75.28(11) . .
O9 Co4 Tb1 N1 -151.20(12) . .
N7 Co4 Tb1 N1 -177.34(13) 2_665 .
O11 Co4 Tb1 N1 109.93(11) 2_665 .
N6 Co4 Tb1 N1 25.30(12) 2_666 .
O7 Co4 Tb1 O2 129.57(7) . .
O9 Co4 Tb1 O2 53.66(9) . .
N7 Co4 Tb1 O2 27.52(11) 2_665 .
O11 Co4 Tb1 O2 -45.21(7) 2_665 .
N6 Co4 Tb1 O2 -129.85(9) 2_666 .
N1 Co4 Tb1 O2 -155.15(10) . .
