#------------------------------------------------------------------------------
#$Date: 2017-04-05 11:41:00 +0200 (Wed 05 de Apr de 2017) $
#$Revision: 195056 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/22/7042245.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_7042245
loop_
_publ_author_name
'Funes, Alejandro V.'
'Carrella, Luca'
'Rechkemmer, Yvonne'
'van Slageren, Joris'
'Rentschler, Eva'
'Alborés, Pablo'
_publ_section_title
;
 Synthesis, structural characterization and magnetic behaviour of a family
 of [CoLn] butterfly compounds.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3400
_journal_page_last               3409
_journal_paper_doi               10.1039/c6dt04713k
_journal_volume                  46
_journal_year                    2017
_chemical_formula_sum            'C44 H86 Co2 N2 O20 Tb2'
_chemical_formula_weight         1398.84
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2017-02-01 deposited with the CCDC.
2017-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                104.544(11)
_cell_angle_beta                 90.934(11)
_cell_angle_gamma                94.486(11)
_cell_formula_units_Z            1
_cell_length_a                   10.9445(15)
_cell_length_b                   11.2284(15)
_cell_length_c                   12.2089(16)
_cell_measurement_reflns_used    5573
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.0571
_cell_measurement_theta_min      3.7139
_cell_volume                     1446.8(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SIR97 (Altomare et al.,1999)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 16.1158
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0480
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15511
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.993
_diffrn_reflns_theta_min         3.721
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.046
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74310
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_description       block
_exptl_crystal_F_000             708
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.715
_refine_diff_density_min         -0.850
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         6223
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0333P)²+1.0819P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0701
_refine_ls_wR_factor_ref         0.0746
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5471
_reflns_number_total             6223
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04713k2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7042243--7042247.cif.'
_cod_database_code               7042245
_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.
;
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.36437(2) 0.58624(2) 0.44037(2) 0.02481(6) Uani 1 1 d . . . . .
Co2 Co 0.53784(4) 0.37867(4) 0.29520(4) 0.02208(11) Uani 1 1 d . . . . .
O22 O 0.3939(2) 0.3163(2) 0.2010(2) 0.0315(6) Uani 1 1 d . . . . .
O12 O 0.2542(2) 0.4325(2) 0.2976(2) 0.0364(6) Uani 1 1 d . . . . .
C12 C 0.2855(3) 0.3466(4) 0.2205(3) 0.0328(8) Uani 1 1 d . . . . .
C22 C 0.1850(4) 0.2668(5) 0.1396(4) 0.0520(12) Uani 1 1 d D . . . .
C32 C 0.066(3) 0.264(5) 0.195(5) 0.133(14) Uani 0.475(6) 1 d D . P A 1
H32A H 0.0779 0.2413 0.2655 0.199 Uiso 0.475(6) 1 calc R U P A 1
H32B H 0.0356 0.3435 0.2100 0.199 Uiso 0.475(6) 1 calc R U P A 1
H32C H 0.0089 0.2037 0.1468 0.199 Uiso 0.475(6) 1 calc R U P A 1
C42 C 0.2208(12) 0.1270(11) 0.1084(12) 0.083(3) Uani 0.475(6) 1 d D . P A 1
H42A H 0.2977 0.1224 0.0715 0.125 Uiso 0.475(6) 1 calc R U P A 1
H42B H 0.2279 0.0993 0.1763 0.125 Uiso 0.475(6) 1 calc R U P A 1
H42C H 0.1583 0.0753 0.0585 0.125 Uiso 0.475(6) 1 calc R U P A 1
C52 C 0.1961(14) 0.2991(15) 0.0275(10) 0.092(3) Uani 0.475(6) 1 d D . P A 1
H52A H 0.2797 0.2963 0.0052 0.138 Uiso 0.475(6) 1 calc R U P A 1
H52B H 0.1444 0.2409 -0.0287 0.138 Uiso 0.475(6) 1 calc R U P A 1
H52C H 0.1711 0.3807 0.0345 0.138 Uiso 0.475(6) 1 calc R U P A 1
C32' C 0.098(2) 0.210(5) 0.208(4) 0.133(14) Uani 0.525(6) 1 d D . P A 2
H32D H 0.0810 0.2713 0.2753 0.199 Uiso 0.525(6) 1 calc R U P A 2
H32E H 0.0235 0.1797 0.1644 0.199 Uiso 0.525(6) 1 calc R U P A 2
H32F H 0.1342 0.1433 0.2286 0.199 Uiso 0.525(6) 1 calc R U P A 2
C42' C 0.2356(10) 0.2027(12) 0.0276(10) 0.083(3) Uani 0.525(6) 1 d D . P A 2
H42D H 0.2897 0.2604 0.0014 0.125 Uiso 0.525(6) 1 calc R U P A 2
H42E H 0.2799 0.1353 0.0372 0.125 Uiso 0.525(6) 1 calc R U P A 2
H42F H 0.1692 0.1717 -0.0270 0.125 Uiso 0.525(6) 1 calc R U P A 2
C52' C 0.1038(12) 0.3618(11) 0.1014(11) 0.092(3) Uani 0.525(6) 1 d D . P A 2
H52D H 0.1512 0.4049 0.0556 0.138 Uiso 0.525(6) 1 calc R U P A 2
H52E H 0.0327 0.3178 0.0583 0.138 Uiso 0.525(6) 1 calc R U P A 2
H52F H 0.0785 0.4201 0.1672 0.138 Uiso 0.525(6) 1 calc R U P A 2
O13 O 0.2742(2) 0.7008(3) 0.3162(2) 0.0366(6) Uani 1 1 d . . . . .
O23 O 0.1607(2) 0.6529(3) 0.4479(2) 0.0395(7) Uani 1 1 d . . . . .
O11 O 0.5693(2) 0.2100(2) 0.2754(2) 0.0308(6) Uani 1 1 d . . . . .
O21 O 0.3875(3) 0.7963(2) 0.5465(2) 0.0359(6) Uani 1 1 d . . . . .
C11 C 0.6020(3) 0.1565(3) 0.3503(3) 0.0312(8) Uani 1 1 d . . . . .
C21 C 0.6295(5) 0.0227(4) 0.3022(4) 0.0475(11) Uani 1 1 d D . . . .
C13 C 0.1753(3) 0.7054(4) 0.3688(3) 0.0332(8) Uani 1 1 d . . . . .
C23 C 0.0731(4) 0.7743(4) 0.3365(4) 0.0431(10) Uani 1 1 d . . . . .
C33 C 0.1237(5) 0.8940(5) 0.3135(6) 0.0792(18) Uani 1 1 d . . . . .
H33A H 0.1643 0.9459 0.3810 0.119 Uiso 1 1 calc R U . . .
H33B H 0.1812 0.8773 0.2542 0.119 Uiso 1 1 calc R U . . .
H33C H 0.0578 0.9352 0.2907 0.119 Uiso 1 1 calc R U . . .
C43 C 0.0103(5) 0.6944(6) 0.2315(5) 0.0787(18) Uani 1 1 d . . . . .
H43A H -0.0221 0.6180 0.2458 0.118 Uiso 1 1 calc R U . . .
H43B H -0.0555 0.7358 0.2088 0.118 Uiso 1 1 calc R U . . .
H43C H 0.0679 0.6779 0.1723 0.118 Uiso 1 1 calc R U . . .
C53 C -0.0194(5) 0.8002(7) 0.4319(5) 0.086(2) Uani 1 1 d . . . . .
H53A H 0.0211 0.8517 0.4996 0.130 Uiso 1 1 calc R U . . .
H53B H -0.0854 0.8414 0.4095 0.130 Uiso 1 1 calc R U . . .
H53C H -0.0513 0.7236 0.4461 0.130 Uiso 1 1 calc R U . . .
N14 N 0.6388(3) 0.3879(3) 0.1629(2) 0.0299(7) Uani 1 1 d . . . . .
O14 O 0.5072(2) 0.5442(2) 0.30603(19) 0.0275(5) Uani 1 1 d D . . . .
O24 O 0.3167(2) 0.5678(2) 0.6159(2) 0.0282(5) Uani 1 1 d . . . . .
C54 C 0.6098(5) 0.2822(5) 0.0623(4) 0.0543(12) Uani 1 1 d . . . . .
H54A H 0.5275 0.2880 0.0345 0.065 Uiso 1 1 calc R U . . .
H54B H 0.6084 0.2068 0.0874 0.065 Uiso 1 1 calc R U . . .
C64 C 0.6937(5) 0.2694(5) -0.0360(4) 0.0562(13) Uani 1 1 d D . . . .
H64A H 0.7735 0.2514 -0.0118 0.067 Uiso 0.67(2) 1 calc R U P B 1
H64B H 0.6615 0.1992 -0.0961 0.067 Uiso 0.67(2) 1 calc R U P B 1
H64C H 0.7777 0.2978 -0.0101 0.067 Uiso 0.33(2) 1 calc R U P B 2
H64D H 0.6908 0.1844 -0.0804 0.067 Uiso 0.33(2) 1 calc R U P B 2
O34 O 0.7092(16) 0.3721(9) -0.0800(9) 0.087(4) Uani 0.67(2) 1 d D . P B 1
H34 H 0.6907 0.3518 -0.1479 0.131 Uiso 0.67(2) 1 calc R U P B 1
O34' O 0.647(2) 0.343(2) -0.0973(17) 0.087(4) Uani 0.33(2) 1 d D . P B 2
H34' H 0.6894 0.3427 -0.1524 0.131 Uiso 0.33(2) 1 calc R U P B 2
C14 C 0.6115(6) 0.5047(5) 0.1360(4) 0.0688(17) Uani 1 1 d D . . . .
H14A H 0.6822 0.5367 0.1022 0.083 Uiso 0.665(13) 1 calc R U P C 1
H14B H 0.5434 0.4882 0.0810 0.083 Uiso 0.665(13) 1 calc R U P C 1
H14C H 0.6863 0.5594 0.1478 0.083 Uiso 0.335(13) 1 calc R U P C 2
H14D H 0.5876 0.4866 0.0563 0.083 Uiso 0.335(13) 1 calc R U P C 2
C24 C 0.5810(10) 0.5969(6) 0.2357(7) 0.047(2) Uani 0.665(13) 1 d D . P C 1
H24A H 0.6559 0.6364 0.2771 0.056 Uiso 0.665(13) 1 calc R U P C 1
H24B H 0.5384 0.6597 0.2127 0.056 Uiso 0.665(13) 1 calc R U P C 1
C24' C 0.5182(17) 0.5685(16) 0.1996(13) 0.047(2) Uani 0.335(13) 1 d D . P C 2
H24C H 0.5364 0.6565 0.2094 0.056 Uiso 0.335(13) 1 calc R U P C 2
H24D H 0.4405 0.5445 0.1574 0.056 Uiso 0.335(13) 1 calc R U P C 2
C34 C 0.7666(4) 0.3883(6) 0.2032(4) 0.0628(15) Uani 1 1 d . . . . .
H34A H 0.7909 0.3046 0.1805 0.075 Uiso 1 1 calc R U . . .
H34B H 0.8191 0.4384 0.1659 0.075 Uiso 1 1 calc R U . . .
C44 C 0.2127(4) 0.5665(7) 0.6776(4) 0.0747(19) Uani 1 1 d . . . . .
H44A H 0.1754 0.4824 0.6616 0.090 Uiso 1 1 calc R U . . .
H44B H 0.1547 0.6160 0.6523 0.090 Uiso 1 1 calc R U . . .
O15 O 0.4525(2) 0.3908(2) 0.43483(19) 0.0235(5) Uani 1 1 d . . . . .
C31 C 0.5524(11) -0.0401(7) 0.2011(9) 0.122(5) Uani 0.796(8) 1 d D . P D 1
H31A H 0.5548 0.0102 0.1480 0.183 Uiso 0.796(8) 1 calc R U P D 1
H31B H 0.5828 -0.1182 0.1667 0.183 Uiso 0.796(8) 1 calc R U P D 1
H31C H 0.4695 -0.0531 0.2227 0.183 Uiso 0.796(8) 1 calc R U P D 1
C41 C 0.6362(10) -0.0443(7) 0.3951(7) 0.091(3) Uani 0.796(8) 1 d D . P D 1
H41A H 0.6886 0.0046 0.4565 0.136 Uiso 0.796(8) 1 calc R U P D 1
H41B H 0.5555 -0.0574 0.4218 0.136 Uiso 0.796(8) 1 calc R U P D 1
H41C H 0.6688 -0.1225 0.3659 0.136 Uiso 0.796(8) 1 calc R U P D 1
C51 C 0.7622(8) 0.0293(7) 0.2583(8) 0.095(3) Uani 0.796(8) 1 d D . P D 1
H51A H 0.8183 0.0696 0.3202 0.143 Uiso 0.796(8) 1 calc R U P D 1
H51B H 0.7847 -0.0527 0.2259 0.143 Uiso 0.796(8) 1 calc R U P D 1
H51C H 0.7653 0.0753 0.2017 0.143 Uiso 0.796(8) 1 calc R U P D 1
C31' C 0.657(4) -0.011(3) 0.1834(18) 0.122(5) Uani 0.204(8) 1 d D . P D 2
H31D H 0.6028 0.0256 0.1417 0.183 Uiso 0.204(8) 1 calc R U P D 2
H31E H 0.7405 0.0174 0.1743 0.183 Uiso 0.204(8) 1 calc R U P D 2
H31F H 0.6468 -0.0995 0.1555 0.183 Uiso 0.204(8) 1 calc R U P D 2
C41' C 0.500(2) -0.042(2) 0.318(3) 0.091(3) Uani 0.204(8) 1 d D . P D 2
H41D H 0.4808 -0.0199 0.3965 0.136 Uiso 0.204(8) 1 calc R U P D 2
H41E H 0.4388 -0.0152 0.2744 0.136 Uiso 0.204(8) 1 calc R U P D 2
H41F H 0.5017 -0.1299 0.2924 0.136 Uiso 0.204(8) 1 calc R U P D 2
C51' C 0.702(3) -0.023(4) 0.389(3) 0.095(3) Uani 0.204(8) 1 d D . P D 2
H51D H 0.6707 0.0086 0.4625 0.143 Uiso 0.204(8) 1 calc R U P D 2
H51E H 0.6929 -0.1115 0.3696 0.143 Uiso 0.204(8) 1 calc R U P D 2
H51F H 0.7866 0.0054 0.3884 0.143 Uiso 0.204(8) 1 calc R U P D 2
C15 C 0.3637(3) 0.2938(3) 0.4475(3) 0.0335(8) Uani 1 1 d . . . . .
H15A H 0.3311 0.3157 0.5218 0.050 Uiso 1 1 calc R U . . .
H15B H 0.2984 0.2829 0.3916 0.050 Uiso 1 1 calc R U . . .
H15C H 0.4025 0.2183 0.4377 0.050 Uiso 1 1 calc R U . . .
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'
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
O24 Tb1 O14 143.12(8) . .
O24 Tb1 O12 111.66(9) . .
O14 Tb1 O12 78.68(9) . .
O24 Tb1 O21 78.70(9) . .
O14 Tb1 O21 111.97(9) . .
O12 Tb1 O21 147.78(9) . .
O24 Tb1 O23 80.71(9) . .
O14 Tb1 O23 135.67(9) . .
O12 Tb1 O23 76.64(9) . .
O21 Tb1 O23 75.15(10) . .
O24 Tb1 O15 80.95(8) . .
O14 Tb1 O15 68.14(8) . .
O12 Tb1 O15 72.88(8) . .
O21 Tb1 O15 139.24(8) . .
O23 Tb1 O15 135.19(9) . .
O24 Tb1 O15 67.93(8) . 2_666
O14 Tb1 O15 81.17(8) . 2_666
O12 Tb1 O15 138.86(8) . 2_666
O21 Tb1 O15 73.29(8) . 2_666
O23 Tb1 O15 138.93(8) . 2_666
O15 Tb1 O15 66.39(9) . 2_666
O24 Tb1 O13 131.67(8) . .
O14 Tb1 O13 84.83(8) . .
O12 Tb1 O13 75.55(10) . .
O21 Tb1 O13 75.33(9) . .
O23 Tb1 O13 53.61(9) . .
O15 Tb1 O13 141.63(8) . .
O15 Tb1 O13 137.54(9) 2_666 .
O24 Tb1 C13 106.04(10) . .
O14 Tb1 C13 110.85(10) . .
O12 Tb1 C13 75.16(10) . .
O21 Tb1 C13 72.64(11) . .
O23 Tb1 C13 26.70(10) . .
O15 Tb1 C13 147.54(10) . .
O15 Tb1 C13 145.91(10) 2_666 .
O13 Tb1 C13 26.93(10) . .
O24 Tb1 Co2 116.04(6) . .
O14 Tb1 Co2 33.54(6) . .
O12 Tb1 Co2 66.62(6) . .
O21 Tb1 Co2 138.00(7) . .
O23 Tb1 Co2 143.03(7) . .
O15 Tb1 Co2 35.62(5) . .
O15 Tb1 Co2 76.82(5) 2_666 .
O13 Tb1 Co2 110.56(6) . .
C13 Tb1 Co2 130.78(8) . .
O24 Tb1 Co2 33.37(6) . 2_666
O14 Tb1 Co2 116.30(6) . 2_666
O12 Tb1 Co2 137.58(7) . 2_666
O21 Tb1 Co2 66.76(6) . 2_666
O23 Tb1 Co2 106.75(7) . 2_666
O15 Tb1 Co2 76.87(5) . 2_666
O15 Tb1 Co2 35.63(5) 2_666 2_666
O13 Tb1 Co2 141.21(6) . 2_666
C13 Tb1 Co2 126.09(8) . 2_666
Co2 Tb1 Co2 103.120(15) . 2_666
O24 Co2 O14 90.23(11) 2_666 .
O24 Co2 O11 91.28(11) 2_666 .
O14 Co2 O11 176.81(10) . .
O24 Co2 O22 176.92(10) 2_666 .
O14 Co2 O22 92.48(11) . .
O11 Co2 O22 85.94(11) . .
O24 Co2 O15 87.65(10) 2_666 .
O14 Co2 O15 87.77(10) . .
O11 Co2 O15 95.10(10) . .
O22 Co2 O15 93.91(10) . .
O24 Co2 N14 86.31(12) 2_666 .
O14 Co2 N14 87.10(11) . .
O11 Co2 N14 90.20(11) . .
O22 Co2 N14 92.36(12) . .
O15 Co2 N14 172.06(12) . .
O24 Co2 Tb1 97.54(7) 2_666 .
O14 Co2 Tb1 41.73(7) . .
O11 Co2 Tb1 140.69(8) . .
O22 Co2 Tb1 85.47(7) . .
O15 Co2 Tb1 47.48(7) . .
N14 Co2 Tb1 128.42(9) . .
O24 Co2 Tb1 41.58(7) 2_666 2_666
O14 Co2 Tb1 97.84(7) . 2_666
O11 Co2 Tb1 85.14(8) . 2_666
O22 Co2 Tb1 139.22(8) . 2_666
O15 Co2 Tb1 47.59(7) . 2_666
N14 Co2 Tb1 127.34(9) . 2_666
Tb1 Co2 Tb1 76.881(15) . 2_666
C12 O22 Co2 126.9(2) . .
C12 O12 Tb1 133.3(2) . .
O12 C12 O22 126.6(4) . .
O12 C12 C22 118.1(3) . .
O22 C12 C22 115.3(3) . .
C32 C22 C52 121.7(19) . .
C32' C22 C42' 126(2) . .
C32 C22 C12 111(3) . .
C32' C22 C12 108(2) . .
C52 C22 C12 107.5(6) . .
C42' C22 C12 111.8(5) . .
C32' C22 C52' 101.8(14) . .
C42' C22 C52' 100.8(8) . .
C12 C22 C52' 105.4(5) . .
C32 C22 C42 105(2) . .
C52 C22 C42 101.8(9) . .
C12 C22 C42 108.2(5) . .
C13 O13 Tb1 91.3(2) . .
C13 O23 Tb1 94.2(2) . .
C11 O11 Co2 128.2(2) . .
C11 O21 Tb1 131.5(2) 2_666 .
O21 C11 O11 126.0(3) 2_666 .
O21 C11 C21 120.3(3) 2_666 .
O11 C11 C21 113.7(3) . .
C31 C21 C41 116.5(7) . .
C31' C21 C51' 121(2) . .
C31' C21 C11 116.0(14) . .
C31 C21 C11 113.0(4) . .
C41 C21 C11 110.9(4) . .
C51' C21 C11 110.6(16) . .
C31 C21 C51 104.7(7) . .
C41 C21 C51 105.3(6) . .
C11 C21 C51 105.5(4) . .
C31' C21 C41' 109(2) . .
C51' C21 C41' 98(2) . .
C11 C21 C41' 98.4(10) . .
O23 C13 O13 120.8(3) . .
O23 C13 C23 119.3(3) . .
O13 C13 C23 119.9(3) . .
O23 C13 Tb1 59.09(18) . .
O13 C13 Tb1 61.76(18) . .
C23 C13 Tb1 176.9(3) . .
C43 C23 C33 109.2(5) . .
C43 C23 C13 107.5(4) . .
C33 C23 C13 110.7(4) . .
C43 C23 C53 109.4(4) . .
C33 C23 C53 109.9(5) . .
C13 C23 C53 110.1(3) . .
C14 N14 C34 113.5(4) . .
C14 N14 C54 110.0(4) . .
C34 N14 C54 109.8(3) . .
C14 N14 Co2 105.0(2) . .
C34 N14 Co2 104.9(2) . .
C54 N14 Co2 113.4(3) . .
C24 O14 Co2 112.1(3) . .
C24' O14 Co2 109.4(6) . .
C24 O14 Tb1 143.1(3) . .
C24' O14 Tb1 132.7(6) . .
Co2 O14 Tb1 104.73(10) . .
C44 O24 Co2 114.1(3) . 2_666
C44 O24 Tb1 137.0(3) . .
Co2 O24 Tb1 105.05(11) 2_666 .
N14 C54 C64 117.7(4) . .
O34 C64 C54 115.2(6) . .
O34' C64 C54 103.2(10) . .
C24' C14 N14 115.7(6) . .
C24 C14 N14 112.1(4) . .
O14 C24 C14 111.2(5) . .
O14 C24' C14 112.6(10) . .
C44 C34 N14 114.8(4) 2_666 .
O24 C44 C34 114.4(4) . 2_666
C15 O15 Co2 121.2(2) . .
C15 O15 Tb1 113.71(19) . .
Co2 O15 Tb1 96.91(9) . .
C15 O15 Tb1 112.9(2) . 2_666
Co2 O15 Tb1 96.79(9) . 2_666
Tb1 O15 Tb1 113.61(9) . 2_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O24 2.270(2) .
Tb1 O14 2.273(2) .
Tb1 O12 2.359(3) .
Tb1 O21 2.381(3) .
Tb1 O23 2.402(2) .
Tb1 O15 2.452(2) .
Tb1 O15 2.455(2) 2_666
Tb1 O13 2.461(2) .
Tb1 C13 2.792(4) .
Tb1 Co2 3.3023(6) .
Tb1 Co2 3.3023(6) 2_666
Co2 O24 1.881(2) 2_666
Co2 O14 1.887(2) .
Co2 O11 1.908(2) .
Co2 O22 1.913(3) .
Co2 O15 1.937(2) .
Co2 N14 1.991(3) .
Co2 Tb1 3.3024(6) 2_666
O22 C12 1.269(4) .
O12 C12 1.241(4) .
C12 C22 1.535(6) .
C22 C32 1.477(17) .
C22 C32' 1.483(16) .
C22 C52 1.505(12) .
C22 C42' 1.513(10) .
C22 C52' 1.591(11) .
C22 C42 1.602(12) .
O13 C13 1.265(4) .
O23 C13 1.258(4) .
O11 C11 1.275(4) .
O21 C11 1.237(4) 2_666
C11 O21 1.237(4) 2_666
C11 C21 1.526(5) .
C21 C31' 1.447(19) .
C21 C31 1.472(9) .
C21 C41 1.514(8) .
C21 C51' 1.52(2) .
C21 C51 1.559(9) .
C21 C41' 1.578(19) .
C13 C23 1.510(5) .
C23 C43 1.489(7) .
C23 C33 1.507(7) .
C23 C53 1.543(6) .
N14 C14 1.480(5) .
N14 C34 1.475(5) .
N14 C54 1.488(5) .
O14 C24 1.394(6) .
O14 C24' 1.399(12) .
O24 C44 1.376(5) .
O24 Co2 1.881(2) 2_666
C54 C64 1.509(6) .
C64 O34 1.389(9) .
C64 O34' 1.367(15) .
C14 C24' 1.421(12) .
C14 C24 1.449(8) .
C34 C44 1.424(6) 2_666
C44 C34 1.424(6) 2_666
O15 C15 1.441(4) .
O15 Tb1 2.455(2) 2_666
