#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:41:00 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195056 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/22/7042246.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_7042246
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 Yb2'
_chemical_formula_weight         1427.08
_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                105.440(3)
_cell_angle_beta                 90.945(4)
_cell_angle_gamma                93.375(4)
_cell_formula_units_Z            1
_cell_length_a                   10.9901(6)
_cell_length_b                   11.2049(5)
_cell_length_c                   12.1420(4)
_cell_measurement_reflns_used    10809
_cell_measurement_temperature    170(3)
_cell_measurement_theta_max      28.7130
_cell_measurement_theta_min      3.8850
_cell_volume                     1437.94(11)
_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      170(3)
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       14
_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            18209
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         3.715
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.858
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47372
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_description       block
_exptl_crystal_F_000             718
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.780
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         6196
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0307P)²+0.6483P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0638
_refine_ls_wR_factor_ref         0.0692
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5605
_reflns_number_total             6196
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04713k2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7042243--7042247.cif.'
_cod_database_code               7042246
_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
C12 C 0.6053(4) -0.3426(3) 0.3519(3) 0.0344(8) Uani 1 1 d . . . . .
C11 C 0.2878(4) -0.1553(3) 0.2240(3) 0.0346(8) Uani 1 1 d . . . . .
C13 C 0.1781(4) 0.2010(4) 0.3709(3) 0.0363(8) Uani 1 1 d . . . . .
C15 C 0.3674(4) -0.2057(3) 0.4502(3) 0.0373(9) Uani 1 1 d . . . . .
H15A H 0.3351 -0.1828 0.5253 0.056 Uiso 1 1 calc R U . . .
H15B H 0.3021 -0.2175 0.3940 0.056 Uiso 1 1 calc R U . . .
H15C H 0.4077 -0.2814 0.4398 0.056 Uiso 1 1 calc R U . . .
C22 C 0.6351(5) -0.4773(4) 0.3054(4) 0.0521(12) Uani 1 1 d D . . . .
C21 C 0.1877(4) -0.2366(4) 0.1432(4) 0.0512(11) Uani 1 1 d D . . . .
C14 C 0.6107(6) 0.0074(5) 0.1406(4) 0.0689(16) Uani 1 1 d D . . . .
H14A H 0.6821 0.0397 0.1094 0.083 Uiso 0.572(10) 1 calc R U P A 1
H14B H 0.5451 -0.0082 0.0831 0.083 Uiso 0.572(10) 1 calc R U P A 1
H14C H 0.6845 0.0618 0.1560 0.083 Uiso 0.428(10) 1 calc R U P A 2
H14D H 0.5901 -0.0092 0.0597 0.083 Uiso 0.428(10) 1 calc R U P A 2
C24 C 0.5762(10) 0.0992(7) 0.2398(7) 0.0447(19) Uani 0.572(10) 1 d D . P A 1
H24A H 0.6488 0.1405 0.2830 0.054 Uiso 0.572(10) 1 calc R U P A 1
H24B H 0.5318 0.1610 0.2163 0.054 Uiso 0.572(10) 1 calc R U P A 1
C24' C 0.5150(12) 0.0721(12) 0.2031(10) 0.0447(19) Uani 0.428(10) 1 d D . P A 2
H24C H 0.5321 0.1607 0.2154 0.054 Uiso 0.428(10) 1 calc R U P A 2
H24D H 0.4388 0.0486 0.1591 0.054 Uiso 0.428(10) 1 calc R U P A 2
C23 C 0.0754(4) 0.2669(4) 0.3370(3) 0.0437(10) Uani 1 1 d . . . . .
C31 C 0.2236(9) -0.3748(7) 0.1136(10) 0.093(3) Uani 0.679(7) 1 d D . P B 1
H31A H 0.3004 -0.3813 0.0766 0.140 Uiso 0.679(7) 1 calc R U P B 1
H31B H 0.2303 -0.4006 0.1826 0.140 Uiso 0.679(7) 1 calc R U P B 1
H31C H 0.1620 -0.4269 0.0634 0.140 Uiso 0.679(7) 1 calc R U P B 1
C41 C 0.1893(14) -0.2029(12) 0.0326(8) 0.130(6) Uani 0.679(7) 1 d D . P B 1
H41A H 0.2698 -0.2101 0.0029 0.194 Uiso 0.679(7) 1 calc R U P B 1
H41B H 0.1324 -0.2578 -0.0210 0.194 Uiso 0.679(7) 1 calc R U P B 1
H41C H 0.1669 -0.1190 0.0445 0.194 Uiso 0.679(7) 1 calc R U P B 1
C51 C 0.0687(9) -0.2299(14) 0.2002(12) 0.137(6) Uani 0.679(7) 1 d D . P B 1
H51A H 0.0772 -0.2532 0.2704 0.206 Uiso 0.679(7) 1 calc R U P B 1
H51B H 0.0433 -0.1466 0.2163 0.206 Uiso 0.679(7) 1 calc R U P B 1
H51C H 0.0088 -0.2854 0.1508 0.206 Uiso 0.679(7) 1 calc R U P B 1
C31' C 0.2344(17) -0.3057(19) 0.0298(16) 0.093(3) Uani 0.321(7) 1 d D . P B 2
H31D H 0.2857 -0.2501 0.0000 0.140 Uiso 0.321(7) 1 calc R U P B 2
H31E H 0.2806 -0.3725 0.0396 0.140 Uiso 0.321(7) 1 calc R U P B 2
H31F H 0.1668 -0.3387 -0.0227 0.140 Uiso 0.321(7) 1 calc R U P B 2
C41' C 0.108(2) -0.1411(18) 0.1062(19) 0.130(6) Uani 0.321(7) 1 d D . P B 2
H41D H 0.1555 -0.0976 0.0618 0.194 Uiso 0.321(7) 1 calc R U P B 2
H41E H 0.0383 -0.1846 0.0611 0.194 Uiso 0.321(7) 1 calc R U P B 2
H41F H 0.0808 -0.0828 0.1730 0.194 Uiso 0.321(7) 1 calc R U P B 2
C51' C 0.108(2) -0.297(3) 0.209(2) 0.137(6) Uani 0.321(7) 1 d D . P B 2
H51D H 0.0880 -0.2374 0.2786 0.206 Uiso 0.321(7) 1 calc R U P B 2
H51E H 0.0339 -0.3294 0.1652 0.206 Uiso 0.321(7) 1 calc R U P B 2
H51F H 0.1477 -0.3632 0.2275 0.206 Uiso 0.321(7) 1 calc R U P B 2
C33 C 0.0104(5) 0.1823(6) 0.2315(5) 0.0837(18) Uani 1 1 d . . . . .
H33A H -0.0558 0.2235 0.2087 0.125 Uiso 1 1 calc R U . . .
H33B H 0.0667 0.1623 0.1706 0.125 Uiso 1 1 calc R U . . .
H33C H -0.0207 0.1074 0.2483 0.125 Uiso 1 1 calc R U . . .
C34 C 0.7654(4) -0.1119(5) 0.2039(3) 0.0596(13) Uani 1 1 d . . . . .
H34A H 0.7897 -0.1966 0.1824 0.072 Uiso 1 1 calc R U . . .
H34B H 0.8172 -0.0642 0.1650 0.072 Uiso 1 1 calc R U . . .
C43 C 0.1221(6) 0.3878(5) 0.3105(5) 0.0826(18) Uani 1 1 d . . . . .
H43A H 0.0544 0.4282 0.2890 0.124 Uiso 1 1 calc R U . . .
H43B H 0.1636 0.4417 0.3771 0.124 Uiso 1 1 calc R U . . .
H43C H 0.1775 0.3693 0.2488 0.124 Uiso 1 1 calc R U . . .
C44 C 0.7852(4) -0.0619(6) 0.3253(4) 0.0695(16) Uani 1 1 d . . . . .
H44A H 0.8463 -0.1080 0.3516 0.083 Uiso 1 1 calc R U . . .
H44B H 0.8174 0.0236 0.3405 0.083 Uiso 1 1 calc R U . . .
C53 C -0.0176(5) 0.2966(7) 0.4338(5) 0.086(2) Uani 1 1 d . . . . .
H53A H -0.0831 0.3389 0.4111 0.129 Uiso 1 1 calc R U . . .
H53B H -0.0497 0.2207 0.4481 0.129 Uiso 1 1 calc R U . . .
H53C H 0.0223 0.3486 0.5022 0.129 Uiso 1 1 calc R U . . .
N14 N 0.6379(3) -0.1111(3) 0.1644(2) 0.0309(6) Uani 1 1 d . . . . .
C32 C 0.5522(11) -0.5436(7) 0.2074(8) 0.120(5) Uani 0.814(8) 1 d D . P C 1
H32A H 0.5514 -0.4970 0.1516 0.180 Uiso 0.814(8) 1 calc R U P C 1
H32B H 0.5805 -0.6242 0.1735 0.180 Uiso 0.814(8) 1 calc R U P C 1
H32C H 0.4712 -0.5524 0.2340 0.180 Uiso 0.814(8) 1 calc R U P C 1
C42 C 0.6448(10) -0.5411(7) 0.4000(7) 0.089(3) Uani 0.814(8) 1 d D . P C 1
H42A H 0.6997 -0.4924 0.4595 0.133 Uiso 0.814(8) 1 calc R U P C 1
H42B H 0.5657 -0.5498 0.4306 0.133 Uiso 0.814(8) 1 calc R U P C 1
H42C H 0.6750 -0.6217 0.3701 0.133 Uiso 0.814(8) 1 calc R U P C 1
C52 C 0.7648(8) -0.4720(7) 0.2567(8) 0.101(3) Uani 0.814(8) 1 d D . P C 1
H52A H 0.8219 -0.4298 0.3171 0.151 Uiso 0.814(8) 1 calc R U P C 1
H52B H 0.7885 -0.5548 0.2241 0.151 Uiso 0.814(8) 1 calc R U P C 1
H52C H 0.7641 -0.4281 0.1987 0.151 Uiso 0.814(8) 1 calc R U P C 1
C32' C 0.644(5) -0.518(3) 0.1812(17) 0.120(5) Uani 0.186(8) 1 d D . P C 2
H32D H 0.6627 -0.6036 0.1587 0.180 Uiso 0.186(8) 1 calc R U P C 2
H32E H 0.5674 -0.5090 0.1457 0.180 Uiso 0.186(8) 1 calc R U P C 2
H32F H 0.7070 -0.4683 0.1575 0.180 Uiso 0.186(8) 1 calc R U P C 2
C42' C 0.507(2) -0.543(2) 0.317(3) 0.089(3) Uani 0.186(8) 1 d D . P C 2
H42D H 0.4870 -0.5245 0.3959 0.133 Uiso 0.186(8) 1 calc R U P C 2
H42E H 0.4462 -0.5125 0.2752 0.133 Uiso 0.186(8) 1 calc R U P C 2
H42F H 0.5097 -0.6307 0.2860 0.133 Uiso 0.186(8) 1 calc R U P C 2
C52' C 0.706(4) -0.525(4) 0.392(3) 0.101(3) Uani 0.186(8) 1 d D . P C 2
H52D H 0.6838 -0.4830 0.4677 0.151 Uiso 0.186(8) 1 calc R U P C 2
H52E H 0.6881 -0.6124 0.3781 0.151 Uiso 0.186(8) 1 calc R U P C 2
H52F H 0.7921 -0.5088 0.3839 0.151 Uiso 0.186(8) 1 calc R U P C 2
O11 O 0.5732(2) -0.2900(2) 0.27552(19) 0.0335(6) Uani 1 1 d . . . . .
O12 O 0.2557(2) -0.0681(2) 0.3028(2) 0.0381(6) Uani 1 1 d . . . . .
O13 O 0.2765(3) 0.1947(2) 0.3174(2) 0.0403(6) Uani 1 1 d . . . . .
O14 O 0.5031(2) 0.0451(2) 0.30926(18) 0.0281(5) Uani 1 1 d D . . . .
O15 O 0.4536(2) -0.1085(2) 0.43714(18) 0.0266(5) Uani 1 1 d . . . . .
O21 O 0.6149(3) -0.2927(2) 0.4560(2) 0.0383(6) Uani 1 1 d . . . . .
O22 O 0.3958(2) -0.1850(2) 0.20193(19) 0.0327(5) Uani 1 1 d . . . . .
O23 O 0.1664(2) 0.1497(2) 0.4512(2) 0.0398(6) Uani 1 1 d . . . . .
O24 O 0.6813(2) -0.0660(2) 0.38684(18) 0.0280(5) Uani 1 1 d . . . . .
C54 C 0.6090(5) -0.2171(4) 0.0614(3) 0.0560(13) Uani 1 1 d . . . . .
H54A H 0.5279 -0.2087 0.0328 0.067 Uiso 1 1 calc R U . . .
H54B H 0.6059 -0.2930 0.0856 0.067 Uiso 1 1 calc R U . . .
C64 C 0.6947(5) -0.2324(5) -0.0368(3) 0.0583(13) Uani 1 1 d D . . . .
H64A H 0.7730 -0.2539 -0.0124 0.070 Uiso 0.72(2) 1 calc R U P D 1
H64B H 0.6626 -0.3011 -0.0993 0.070 Uiso 0.72(2) 1 calc R U P D 1
H64C H 0.7780 -0.2064 -0.0095 0.070 Uiso 0.28(2) 1 calc R U P D 2
H64D H 0.6914 -0.3177 -0.0831 0.070 Uiso 0.28(2) 1 calc R U P D 2
O34 O 0.7129(14) -0.1277(7) -0.0773(7) 0.092(3) Uani 0.72(2) 1 d D . P D 1
H34 H 0.6974 -0.1465 -0.1463 0.138 Uiso 0.72(2) 1 calc R U P D 1
O34' O 0.650(3) -0.155(2) -0.0974(16) 0.092(3) Uani 0.28(2) 1 d D . P D 2
H34' H 0.6924 -0.1562 -0.1525 0.138 Uiso 0.28(2) 1 calc R U P D 2
Co2 Co 0.53804(4) -0.12095(4) 0.29681(3) 0.02448(10) Uani 1 1 d . . . . .
Yb1 Yb 0.36483(2) 0.08404(2) 0.44159(2) 0.02642(6) 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'
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'
Yb Yb -0.3850 5.5486 '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
O21 C12 O11 125.7(3) . .
O21 C12 C22 119.9(4) . .
O11 C12 C22 114.5(3) . .
O12 C11 O22 126.7(3) . .
O12 C11 C21 117.9(4) . .
O22 C11 C21 115.4(3) . .
O23 C13 O13 119.9(3) . .
O23 C13 C23 120.3(3) . .
O13 C13 C23 119.8(3) . .
O23 C13 Yb1 58.15(19) . .
O13 C13 Yb1 61.8(2) . .
C23 C13 Yb1 177.9(3) . .
C32 C22 C42 114.9(7) . .
C32' C22 C12 114.5(17) . .
C32 C22 C12 111.7(5) . .
C42 C22 C12 111.4(4) . .
C32' C22 C52' 126(2) . .
C12 C22 C52' 112.6(17) . .
C32 C22 C52 106.4(6) . .
C42 C22 C52 106.5(6) . .
C12 C22 C52 105.3(4) . .
C32' C22 C42' 99(2) . .
C12 C22 C42' 99.3(11) . .
C52' C22 C42' 98(2) . .
C51 C21 C41 115.9(10) . .
C51' C21 C31' 122.1(15) . .
C51' C21 C11 108.9(13) . .
C51 C21 C11 110.6(6) . .
C41 C21 C11 108.5(5) . .
C31' C21 C11 113.3(8) . .
C51 C21 C31 108.0(8) . .
C41 C21 C31 105.1(7) . .
C11 C21 C31 108.3(5) . .
C51' C21 C41' 105.0(15) . .
C31' C21 C41' 100.9(13) . .
C11 C21 C41' 104.4(8) . .
C24' C14 N14 116.5(5) . .
C24 C14 N14 113.2(4) . .
O14 C24 C14 110.9(6) . .
O14 C24' C14 111.0(8) . .
C13 C23 C33 108.6(4) . .
C13 C23 C43 111.2(4) . .
C33 C23 C43 109.2(4) . .
C13 C23 C53 110.2(3) . .
C33 C23 C53 108.2(4) . .
C43 C23 C53 109.4(4) . .
C44 C34 N14 113.9(4) . .
O24 C44 C34 113.7(4) . .
C34 N14 C14 112.7(4) . .
C34 N14 C54 110.1(3) . .
C14 N14 C54 110.6(4) . .
C34 N14 Co2 105.2(2) . .
C14 N14 Co2 105.3(2) . .
C54 N14 Co2 112.9(2) . .
C12 O11 Co2 127.6(2) . .
C11 O12 Yb1 132.4(2) . .
C13 O13 Yb1 90.7(2) . .
C24 O14 Co2 112.3(3) . .
C24' O14 Co2 110.5(5) . .
C24 O14 Yb1 143.5(3) . .
C24' O14 Yb1 133.3(5) . .
Co2 O14 Yb1 104.08(10) . .
C15 O15 Co2 121.67(19) . .
C15 O15 Yb1 114.3(2) . .
Co2 O15 Yb1 95.82(9) . .
C15 O15 Yb1 113.3(2) . 2_656
Co2 O15 Yb1 95.90(10) . 2_656
Yb1 O15 Yb1 113.70(9) . 2_656
C12 O21 Yb1 131.2(2) . 2_656
C11 O22 Co2 126.1(2) . .
C13 O23 Yb1 94.6(2) . .
C44 O24 Co2 114.4(2) . .
C44 O24 Yb1 137.3(3) . 2_656
Co2 O24 Yb1 104.85(10) . 2_656
N14 C54 C64 117.3(4) . .
O34' C64 C54 102.6(11) . .
O34 C64 C54 114.5(5) . .
O24 Co2 O14 90.23(11) . .
O24 Co2 O11 91.38(11) . .
O14 Co2 O11 176.91(10) . .
O24 Co2 O22 177.01(11) . .
O14 Co2 O22 92.52(11) . .
O11 Co2 O22 85.81(11) . .
O24 Co2 O15 87.48(10) . .
O14 Co2 O15 87.78(9) . .
O11 Co2 O15 94.92(10) . .
O22 Co2 O15 93.78(10) . .
O24 Co2 N14 86.28(12) . .
O14 Co2 N14 86.88(11) . .
O11 Co2 N14 90.60(11) . .
O22 Co2 N14 92.71(12) . .
O15 Co2 N14 171.77(11) . .
O24 Co2 Yb1 97.32(8) . .
O14 Co2 Yb1 41.42(7) . .
O11 Co2 Yb1 140.82(8) . .
O22 Co2 Yb1 85.53(8) . .
O15 Co2 Yb1 47.76(7) . .
N14 Co2 Yb1 127.93(9) . .
O24 Co2 Yb1 41.16(7) . 2_656
O14 Co2 Yb1 97.87(7) . 2_656
O11 Co2 Yb1 85.07(7) . 2_656
O22 Co2 Yb1 139.32(7) . 2_656
O15 Co2 Yb1 47.84(8) . 2_656
N14 Co2 Yb1 126.92(9) . 2_656
Yb1 Co2 Yb1 77.15(2) . 2_656
O14 Yb1 O24 143.80(9) . 2_656
O14 Yb1 O12 80.58(9) . .
O24 Yb1 O12 109.91(9) 2_656 .
O14 Yb1 O21 110.04(9) . 2_656
O24 Yb1 O21 80.50(9) 2_656 2_656
O12 Yb1 O21 146.83(10) . 2_656
O14 Yb1 O23 135.50(9) . .
O24 Yb1 O23 80.29(9) 2_656 .
O12 Yb1 O23 75.83(9) . .
O21 Yb1 O23 75.14(10) 2_656 .
O14 Yb1 O15 69.89(8) . .
O24 Yb1 O15 79.87(8) 2_656 .
O12 Yb1 O15 73.53(9) . .
O21 Yb1 O15 139.52(9) 2_656 .
O23 Yb1 O15 134.80(9) . .
O14 Yb1 O13 83.13(9) . .
O24 Yb1 O13 132.69(9) 2_656 .
O12 Yb1 O13 75.53(10) . .
O21 Yb1 O13 74.80(9) 2_656 .
O23 Yb1 O13 54.77(9) . .
O15 Yb1 O13 141.59(8) . .
O14 Yb1 O15 80.51(9) . 2_656
O24 Yb1 O15 69.15(8) 2_656 2_656
O12 Yb1 O15 139.41(9) . 2_656
O21 Yb1 O15 73.70(9) 2_656 2_656
O23 Yb1 O15 139.18(8) . 2_656
O15 Yb1 O15 66.30(9) . 2_656
O13 Yb1 O15 136.63(9) . 2_656
O14 Yb1 C13 109.85(10) . .
O24 Yb1 C13 106.35(10) 2_656 .
O12 Yb1 C13 74.59(11) . .
O21 Yb1 C13 72.25(11) 2_656 .
O23 Yb1 C13 27.29(10) . .
O15 Yb1 C13 147.68(10) . .
O13 Yb1 C13 27.51(10) . .
O15 Yb1 C13 145.91(10) 2_656 .
O14 Yb1 Co2 34.50(6) . .
O24 Yb1 Co2 115.78(6) 2_656 .
O12 Yb1 Co2 67.91(7) . .
O21 Yb1 Co2 137.26(7) 2_656 .
O23 Yb1 Co2 143.46(7) . .
O15 Yb1 Co2 36.41(5) . .
O13 Yb1 Co2 109.72(6) . .
O15 Yb1 Co2 76.24(6) 2_656 .
C13 Yb1 Co2 130.63(8) . .
O14 Yb1 Co2 116.33(7) . 2_656
O24 Yb1 Co2 33.99(6) 2_656 2_656
O12 Yb1 Co2 136.92(7) . 2_656
O21 Yb1 Co2 67.85(6) 2_656 2_656
O23 Yb1 Co2 106.61(6) . 2_656
O15 Yb1 Co2 76.16(5) . 2_656
O13 Yb1 Co2 141.87(6) . 2_656
O15 Yb1 Co2 36.26(5) 2_656 2_656
C13 Yb1 Co2 126.51(7) . 2_656
Co2 Yb1 Co2 102.86(2) . 2_656
O14 Yb1 Yb1 72.33(7) . 2_656
O24 Yb1 Yb1 71.47(6) 2_656 2_656
O12 Yb1 Yb1 106.60(7) . 2_656
O21 Yb1 Yb1 106.57(7) 2_656 2_656
O23 Yb1 Yb1 150.79(6) . 2_656
O15 Yb1 Yb1 33.24(5) . 2_656
O13 Yb1 Yb1 154.43(6) . 2_656
O15 Yb1 Yb1 33.06(5) 2_656 2_656
C13 Yb1 Yb1 177.73(7) . 2_656
Co2 Yb1 Yb1 51.55(2) . 2_656
Co2 Yb1 Yb1 51.306(11) 2_656 2_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C12 O21 1.238(4) .
C12 O11 1.279(4) .
C12 C22 1.522(5) .
C11 O12 1.245(4) .
C11 O22 1.265(4) .
C11 C21 1.540(5) .
C13 O23 1.261(4) .
C13 O13 1.267(4) .
C13 C23 1.494(5) .
C13 Yb1 2.743(4) .
C15 O15 1.443(4) .
C22 C32' 1.462(19) .
C22 C32 1.487(9) .
C22 C42 1.511(8) .
C22 C52' 1.52(2) .
C22 C52 1.557(9) .
C22 C42' 1.573(19) .
C21 C51' 1.455(18) .
C21 C51 1.486(9) .
C21 C41 1.490(10) .
C21 C31' 1.504(15) .
C21 C31 1.569(9) .
C21 C41' 1.573(17) .
C14 C24' 1.426(10) .
C14 C24 1.433(8) .
C14 N14 1.477(5) .
C24 O14 1.400(7) .
C24' O14 1.406(10) .
C23 C33 1.515(7) .
C23 C43 1.536(7) .
C23 C53 1.553(6) .
C34 C44 1.438(6) .
C34 N14 1.475(5) .
C44 O24 1.380(5) .
N14 C54 1.493(5) .
N14 Co2 1.985(3) .
O11 Co2 1.906(3) .
O12 Yb1 2.312(3) .
O13 Yb1 2.417(3) .
O14 Co2 1.889(2) .
O14 Yb1 2.206(2) .
O15 Co2 1.930(2) .
O15 Yb1 2.408(2) .
O15 Yb1 2.419(3) 2_656
O21 Yb1 2.333(3) 2_656
O22 Co2 1.911(3) .
O23 Yb1 2.337(3) .
O24 Co2 1.877(2) .
O24 Yb1 2.210(2) 2_656
C54 C64 1.512(6) .
C64 O34' 1.384(16) .
C64 O34 1.392(8) .
Co2 Yb1 3.2349(10) .
Co2 Yb1 3.2460(13) 2_656
Yb1 O24 2.210(2) 2_656
Yb1 O21 2.333(3) 2_656
Yb1 O15 2.419(3) 2_656
Yb1 Co2 3.2460(13) 2_656
Yb1 Yb1 4.0409(12) 2_656
