#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:41:00 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195056 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/22/7042243.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_7042243
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 Ho2 N2 O20'
_chemical_formula_weight         1410.86
_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                104.953(3)
_cell_angle_beta                 90.779(3)
_cell_angle_gamma                93.973(3)
_cell_formula_units_Z            1
_cell_length_a                   10.9560(5)
_cell_length_b                   11.2392(4)
_cell_length_c                   12.1874(4)
_cell_measurement_reflns_used    3980
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.8897
_cell_measurement_theta_min      3.7229
_cell_volume                     1445.64(10)
_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 0.987
_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  0.0488
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15670
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         3.730
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.339
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95319
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.307
_refine_diff_density_min         -0.966
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6221
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0391
_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)+(0.0324P)²+2.3610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0934
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4986
_reflns_number_total             6221
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04713k2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7042243--7042247.cif.'
_cod_original_cell_volume        1445.65(9)
_cod_database_code               7042243
_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 0.7865(5) -0.1542(5) 0.2225(5) 0.0374(13) Uani 1 1 d . . . . .
C11 C 1.1026(5) -0.3430(5) 0.3512(5) 0.0339(12) Uani 1 1 d . . . . .
C13 C 0.6774(5) 0.2034(5) 0.3702(4) 0.0339(13) Uani 1 1 d . . . . .
C84 C 1.2667(6) -0.1107(8) 0.2038(5) 0.065(2) Uani 1 1 d . . . . .
H84A H 1.2922 -0.1942 0.1807 0.078 Uiso 1 1 calc R U . . .
H84B H 1.3183 -0.0604 0.1664 0.078 Uiso 1 1 calc R U . . .
C15 C 0.8660(5) -0.2061(5) 0.4475(5) 0.0397(14) Uani 1 1 d . . . . .
H15A H 0.8333 -0.1846 0.5221 0.060 Uiso 1 1 calc R U . . .
H15B H 0.8007 -0.2168 0.3916 0.060 Uiso 1 1 calc R U . . .
H15C H 0.9055 -0.2817 0.4367 0.060 Uiso 1 1 calc R U . . .
C22 C 0.6867(6) -0.2352(6) 0.1421(6) 0.0543(18) Uani 1 1 d D . . . .
C21 C 1.1313(7) -0.4776(6) 0.3041(6) 0.0537(18) Uani 1 1 d D . . . .
C23 C 0.5759(5) 0.2707(6) 0.3359(5) 0.0390(14) Uani 1 1 d . . . . .
C74 C 1.2869(6) -0.0650(9) 0.3236(5) 0.071(2) Uani 1 1 d . . . . .
H74A H 1.3454 -0.1143 0.3486 0.086 Uiso 1 1 calc R U . . .
H74B H 1.3233 0.0192 0.3398 0.086 Uiso 1 1 calc R U . . .
C33 C 0.5095(7) 0.1880(9) 0.2300(7) 0.086(3) Uani 1 1 d . . . . .
H33A H 0.4443 0.2304 0.2074 0.129 Uiso 1 1 calc R U . . .
H33B H 0.5660 0.1682 0.1696 0.129 Uiso 1 1 calc R U . . .
H33C H 0.4762 0.1134 0.2463 0.129 Uiso 1 1 calc R U . . .
C43 C 0.6228(8) 0.3923(8) 0.3123(8) 0.087(3) Uani 1 1 d . . . . .
H43A H 0.5551 0.4323 0.2907 0.130 Uiso 1 1 calc R U . . .
H43B H 0.6632 0.4450 0.3796 0.130 Uiso 1 1 calc R U . . .
H43C H 0.6795 0.3764 0.2518 0.130 Uiso 1 1 calc R U . . .
C14 C 1.1113(8) 0.0056(6) 0.1371(6) 0.066(2) Uani 1 1 d D . . . .
H14A H 1.1819 0.0371 0.1033 0.079 Uiso 0.615(16) 1 calc R U P A 1
H14B H 1.0432 -0.0099 0.0824 0.079 Uiso 0.615(16) 1 calc R U P A 1
H14C H 1.1863 0.0590 0.1478 0.079 Uiso 0.385(16) 1 calc R U P A 2
H14D H 1.0864 -0.0126 0.0575 0.079 Uiso 0.385(16) 1 calc R U P A 2
C24 C 1.0811(14) 0.0972(9) 0.2385(10) 0.046(3) Uani 0.615(16) 1 d D . P A 1
H24A H 1.1560 0.1343 0.2807 0.056 Uiso 0.615(16) 1 calc R U P A 1
H24B H 1.0402 0.1619 0.2168 0.056 Uiso 0.615(16) 1 calc R U P A 1
C24' C 1.018(2) 0.073(2) 0.2033(14) 0.046(3) Uani 0.385(16) 1 d D . P A 2
H24C H 1.0388 0.1608 0.2158 0.056 Uiso 0.385(16) 1 calc R U P A 2
H24D H 0.9405 0.0527 0.1611 0.056 Uiso 0.385(16) 1 calc R U P A 2
C53 C 0.4810(7) 0.2992(9) 0.4323(7) 0.084(3) Uani 1 1 d . . . . .
H53A H 0.4164 0.3423 0.4097 0.125 Uiso 1 1 calc R U . . .
H53B H 0.4473 0.2232 0.4457 0.125 Uiso 1 1 calc R U . . .
H53C H 0.5211 0.3497 0.5008 0.125 Uiso 1 1 calc R U . . .
C31 C 1.005(3) -0.540(3) 0.311(4) 0.119(6) Uani 0.217(10) 1 d D . P B 1
H31A H 0.9499 -0.5191 0.2583 0.178 Uiso 0.217(10) 1 calc R U P B 1
H31B H 1.0102 -0.6277 0.2920 0.178 Uiso 0.217(10) 1 calc R U P B 1
H31C H 0.9767 -0.5121 0.3866 0.178 Uiso 0.217(10) 1 calc R U P B 1
C41 C 1.202(5) -0.520(5) 0.389(4) 0.084(5) Uani 0.217(10) 1 d D . P B 1
H41A H 1.1640 -0.4972 0.4615 0.126 Uiso 0.217(10) 1 calc R U P B 1
H41B H 1.2047 -0.6080 0.3655 0.126 Uiso 0.217(10) 1 calc R U P B 1
H41C H 1.2842 -0.4817 0.3966 0.126 Uiso 0.217(10) 1 calc R U P B 1
C51 C 1.173(5) -0.502(4) 0.182(2) 0.098(4) Uani 0.217(10) 1 d D . P B 1
H51A H 1.1176 -0.4693 0.1377 0.147 Uiso 0.217(10) 1 calc R U P B 1
H51B H 1.2539 -0.4635 0.1808 0.147 Uiso 0.217(10) 1 calc R U P B 1
H51C H 1.1744 -0.5897 0.1497 0.147 Uiso 0.217(10) 1 calc R U P B 1
C31' C 1.0513(15) -0.5400(9) 0.2042(12) 0.119(6) Uani 0.783(10) 1 d D . P B 2
H31D H 1.0531 -0.4906 0.1505 0.178 Uiso 0.783(10) 1 calc R U P B 2
H31E H 1.0799 -0.6193 0.1692 0.178 Uiso 0.783(10) 1 calc R U P B 2
H31F H 0.9689 -0.5504 0.2279 0.178 Uiso 0.783(10) 1 calc R U P B 2
C41' C 1.1381(13) -0.5440(12) 0.3964(10) 0.084(5) Uani 0.783(10) 1 d D . P B 2
H41D H 1.1920 -0.4963 0.4571 0.126 Uiso 0.783(10) 1 calc R U P B 2
H41E H 1.0579 -0.5545 0.4249 0.126 Uiso 0.783(10) 1 calc R U P B 2
H41F H 1.1688 -0.6234 0.3662 0.126 Uiso 0.783(10) 1 calc R U P B 2
C51' C 1.2645(10) -0.4712(11) 0.2603(11) 0.098(4) Uani 0.783(10) 1 d D . P B 2
H51D H 1.3199 -0.4312 0.3227 0.147 Uiso 0.783(10) 1 calc R U P B 2
H51E H 1.2877 -0.5534 0.2274 0.147 Uiso 0.783(10) 1 calc R U P B 2
H51F H 1.2678 -0.4252 0.2040 0.147 Uiso 0.783(10) 1 calc R U P B 2
N14 N 1.1384(4) -0.1117(4) 0.1635(4) 0.0326(10) Uani 1 1 d . . . . .
C32 C 0.695(2) -0.199(2) 0.0276(14) 0.107(5) Uani 0.5 1 d D . P C 1
H32A H 0.7759 -0.2102 -0.0008 0.160 Uiso 0.5 1 calc R U P C 1
H32B H 0.6363 -0.2503 -0.0264 0.160 Uiso 0.5 1 calc R U P C 1
H32C H 0.6781 -0.1140 0.0393 0.160 Uiso 0.5 1 calc R U P C 1
C42 C 0.7206(16) -0.3727(13) 0.1130(16) 0.090(5) Uani 0.5 1 d D . P C 1
H42A H 0.7937 -0.3808 0.0699 0.136 Uiso 0.5 1 calc R U P C 1
H42B H 0.7342 -0.3965 0.1821 0.136 Uiso 0.5 1 calc R U P C 1
H42C H 0.6547 -0.4251 0.0691 0.136 Uiso 0.5 1 calc R U P C 1
C52 C 0.575(6) -0.228(5) 0.208(6) 0.16(2) Uani 0.5 1 d D . P C 1
H52A H 0.5088 -0.2778 0.1612 0.245 Uiso 0.5 1 calc R U P C 1
H52B H 0.5881 -0.2589 0.2733 0.245 Uiso 0.5 1 calc R U P C 1
H52C H 0.5541 -0.1442 0.2316 0.245 Uiso 0.5 1 calc R U P C 1
C32' C 0.604(2) -0.1401(16) 0.1009(18) 0.107(5) Uani 0.5 1 d D . P C 2
H32D H 0.6542 -0.0930 0.0605 0.160 Uiso 0.5 1 calc R U P C 2
H32E H 0.5384 -0.1855 0.0517 0.160 Uiso 0.5 1 calc R U P C 2
H32F H 0.5718 -0.0853 0.1659 0.160 Uiso 0.5 1 calc R U P C 2
C42' C 0.7354(15) -0.2994(19) 0.0286(14) 0.090(5) Uani 0.5 1 d D . P C 2
H42D H 0.7991 -0.2468 0.0082 0.136 Uiso 0.5 1 calc R U P C 2
H42E H 0.7678 -0.3752 0.0335 0.136 Uiso 0.5 1 calc R U P C 2
H42F H 0.6704 -0.3171 -0.0282 0.136 Uiso 0.5 1 calc R U P C 2
C52' C 0.588(6) -0.290(5) 0.198(5) 0.16(2) Uani 0.5 1 d D . P C 2
H52D H 0.5721 -0.2335 0.2691 0.245 Uiso 0.5 1 calc R U P C 2
H52E H 0.5157 -0.3074 0.1501 0.245 Uiso 0.5 1 calc R U P C 2
H52F H 0.6131 -0.3655 0.2118 0.245 Uiso 0.5 1 calc R U P C 2
O22 O 0.8946(3) -0.1839(3) 0.2013(3) 0.0339(9) Uani 1 1 d . . . . .
O21 O 1.1133(4) -0.2948(3) 0.4550(3) 0.0393(9) Uani 1 1 d . . . . .
O23 O 0.6628(3) 0.1518(4) 0.4497(3) 0.0420(10) Uani 1 1 d . . . . .
O24 O 1.1826(3) -0.0664(3) 0.3854(3) 0.0294(8) Uani 1 1 d . . . . .
O15 O 0.9530(3) -0.1095(3) 0.4356(3) 0.0266(8) Uani 1 1 d . . . . .
O12 O 0.7547(3) -0.0674(4) 0.3007(3) 0.0396(9) Uani 1 1 d . . . . .
O11 O 1.0714(3) -0.2897(3) 0.2754(3) 0.0331(8) Uani 1 1 d . . . . .
O13 O 0.7750(3) 0.1982(4) 0.3161(3) 0.0402(10) Uani 1 1 d . . . . .
O14 O 1.0057(3) 0.0455(3) 0.3077(3) 0.0295(8) Uani 1 1 d D . . . .
C54 C 1.1093(7) -0.2167(6) 0.0624(5) 0.0568(18) Uani 1 1 d . . . . .
H54A H 1.0276 -0.2095 0.0345 0.068 Uiso 1 1 calc R U . . .
H54B H 1.1070 -0.2923 0.0870 0.068 Uiso 1 1 calc R U . . .
C64 C 1.1943(7) -0.2307(7) -0.0362(5) 0.061(2) Uani 1 1 d D . . . .
H64A H 1.2784 -0.2058 -0.0099 0.074 Uiso 0.39(2) 1 calc R U P D 1
H64B H 1.1894 -0.3152 -0.0828 0.074 Uiso 0.39(2) 1 calc R U P D 1
H64C H 1.2724 -0.2536 -0.0129 0.074 Uiso 0.61(2) 1 calc R U P D 2
H64D H 1.1604 -0.2983 -0.0981 0.074 Uiso 0.61(2) 1 calc R U P D 2
O34 O 1.150(2) -0.152(2) -0.0956(17) 0.079(4) Uani 0.39(2) 1 d D . P D 1
H34 H 1.1917 -0.1535 -0.1515 0.118 Uiso 0.39(2) 1 calc R U P D 1
O34' O 1.2153(17) -0.1269(11) -0.0773(11) 0.079(4) Uani 0.61(2) 1 d D . P D 2
H34' H 1.1997 -0.1454 -0.1458 0.118 Uiso 0.61(2) 1 calc R U P D 2
Co2 Co 1.03800(6) -0.12059(6) 0.29591(5) 0.02534(16) Uani 1 1 d . . . . .
Ho1 Ho 0.86455(2) 0.08543(2) 0.44085(2) 0.02828(9) 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'
Ho Ho -0.2175 4.6783 '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
O12 C12 O22 126.7(5) . .
O12 C12 C22 118.3(5) . .
O22 C12 C22 115.0(5) . .
O21 C11 O11 126.1(5) . .
O21 C11 C21 119.6(5) . .
O11 C11 C21 114.3(5) . .
O23 C13 O13 121.7(5) . .
O23 C13 C23 119.9(5) . .
O13 C13 C23 118.3(5) . .
O23 C13 Ho1 59.2(3) . .
O13 C13 Ho1 62.6(3) . .
C23 C13 Ho1 178.0(4) . .
C74 C84 N14 114.8(5) . .
C52' C22 C42' 123.5(14) . .
C52' C22 C12 115(3) . .
C52 C22 C12 106(2) . .
C42' C22 C12 112.5(8) . .
C52 C22 C32 123(4) . .
C12 C22 C32 106.8(8) . .
C52 C22 C42 107(3) . .
C12 C22 C42 108.9(7) . .
C32 C22 C42 104.6(12) . .
C52' C22 C32' 96(4) . .
C42' C22 C32' 98.7(12) . .
C12 C22 C32' 105.5(8) . .
C31' C21 C41' 115.8(10) . .
C41 C21 C51 120(3) . .
C31' C21 C11 111.4(6) . .
C41' C21 C11 111.8(7) . .
C41 C21 C11 111(2) . .
C51 C21 C11 111.6(16) . .
C41 C21 C31 101(3) . .
C51 C21 C31 112(3) . .
C11 C21 C31 99.1(15) . .
C31' C21 C51' 106.6(9) . .
C41' C21 C51' 105.1(8) . .
C11 C21 C51' 105.1(6) . .
C13 C23 C43 112.2(5) . .
C13 C23 C33 108.9(5) . .
C43 C23 C33 109.6(6) . .
C13 C23 C53 110.0(5) . .
C43 C23 C53 108.3(6) . .
C33 C23 C53 107.8(6) . .
O24 C74 C84 114.2(5) . .
C24' C14 N14 115.9(8) . .
C24 C14 N14 111.2(7) . .
O14 C24 C14 111.6(8) . .
O14 C24' C14 112.1(11) . .
C84 N14 C54 110.6(5) . .
C84 N14 C14 112.7(6) . .
C54 N14 C14 109.8(5) . .
C84 N14 Co2 105.0(3) . .
C54 N14 Co2 113.3(4) . .
C14 N14 Co2 105.4(3) . .
C12 O22 Co2 126.3(3) . .
C11 O21 Ho1 131.1(3) . 2_756
C13 O23 Ho1 93.8(3) . .
C74 O24 Co2 114.1(3) . .
C74 O24 Ho1 136.9(4) . 2_756
Co2 O24 Ho1 105.01(15) . 2_756
C15 O15 Co2 121.2(3) . .
C15 O15 Ho1 114.2(3) . .
Co2 O15 Ho1 95.99(13) . .
C15 O15 Ho1 113.4(3) . 2_756
Co2 O15 Ho1 96.59(14) . 2_756
Ho1 O15 Ho1 113.42(13) . 2_756
C12 O12 Ho1 132.8(4) . .
C11 O11 Co2 127.9(3) . .
C13 O13 Ho1 90.2(3) . .
C24' O14 Co2 110.6(8) . .
C24 O14 Co2 111.3(5) . .
C24' O14 Ho1 132.9(7) . .
C24 O14 Ho1 144.3(5) . .
Co2 O14 Ho1 104.20(15) . .
N14 C54 C64 117.5(6) . .
O34 C64 C54 102.8(11) . .
O34' C64 C54 115.7(8) . .
O24 Co2 O14 90.02(16) . .
O24 Co2 O11 91.32(16) . .
O14 Co2 O11 176.93(15) . .
O24 Co2 O22 176.94(15) . .
O14 Co2 O22 92.75(16) . .
O11 Co2 O22 85.85(16) . .
O24 Co2 O15 87.50(15) . .
O14 Co2 O15 88.20(14) . .
O11 Co2 O15 94.62(15) . .
O22 Co2 O15 93.86(15) . .
O24 Co2 N14 86.47(17) . .
O14 Co2 N14 87.11(16) . .
O11 Co2 N14 90.22(17) . .
O22 Co2 N14 92.39(17) . .
O15 Co2 N14 172.36(17) . .
O24 Co2 Ho1 97.33(11) . .
O14 Co2 Ho1 41.63(10) . .
O11 Co2 Ho1 140.79(11) . .
O22 Co2 Ho1 85.61(10) . .
O15 Co2 Ho1 48.01(10) . .
N14 Co2 Ho1 128.32(13) . .
O24 Co2 Ho1 41.34(10) . 2_756
O14 Co2 Ho1 97.90(10) . 2_756
O11 Co2 Ho1 84.92(11) . 2_756
O22 Co2 Ho1 139.25(11) . 2_756
O15 Co2 Ho1 47.65(10) . 2_756
N14 Co2 Ho1 127.21(13) . 2_756
Ho1 Co2 Ho1 77.11(3) . 2_756
O14 Ho1 O24 143.30(12) . 2_756
O14 Ho1 O12 79.89(13) . .
O24 Ho1 O12 110.50(13) 2_756 .
O14 Ho1 O21 110.74(13) . 2_756
O24 Ho1 O21 79.88(13) 2_756 2_756
O12 Ho1 O21 147.43(13) . 2_756
O14 Ho1 O23 135.60(13) . .
O24 Ho1 O23 80.66(13) 2_756 .
O12 Ho1 O23 76.23(13) . .
O21 Ho1 O23 75.22(14) 2_756 .
O14 Ho1 O15 69.14(11) . .
O24 Ho1 O15 80.19(11) 2_756 .
O12 Ho1 O15 73.03(12) . .
O21 Ho1 O15 139.43(12) 2_756 .
O23 Ho1 O15 134.93(13) . .
O14 Ho1 O15 80.95(12) . 2_756
O24 Ho1 O15 68.35(12) 2_756 2_756
O12 Ho1 O15 139.24(12) . 2_756
O21 Ho1 O15 73.28(12) 2_756 2_756
O23 Ho1 O15 138.85(12) . 2_756
O15 Ho1 O15 66.59(13) . 2_756
O14 Ho1 O13 83.93(12) . .
O24 Ho1 O13 132.40(12) 2_756 .
O12 Ho1 O13 75.59(14) . .
O21 Ho1 O13 75.15(13) 2_756 .
O23 Ho1 O13 54.17(13) . .
O15 Ho1 O13 141.49(11) . .
O15 Ho1 O13 137.14(13) 2_756 .
O14 Ho1 C13 110.32(14) . .
O24 Ho1 C13 106.38(14) 2_756 .
O12 Ho1 C13 75.01(15) . .
O21 Ho1 C13 72.44(15) 2_756 .
O23 Ho1 C13 27.01(14) . .
O15 Ho1 C13 147.58(14) . .
O15 Ho1 C13 145.69(14) 2_756 .
O13 Ho1 C13 27.19(14) . .
O14 Ho1 Co2 34.17(9) . .
O24 Ho1 Co2 115.67(9) 2_756 .
O12 Ho1 Co2 67.27(9) . .
O21 Ho1 Co2 137.55(10) 2_756 .
O23 Ho1 Co2 143.23(10) . .
O15 Ho1 Co2 36.00(8) . .
O15 Ho1 Co2 76.75(8) 2_756 .
O13 Ho1 Co2 110.10(9) . .
C13 Ho1 Co2 130.73(11) . .
O14 Ho1 Co2 116.21(9) . 2_756
O24 Ho1 Co2 33.65(9) 2_756 2_756
O12 Ho1 Co2 136.97(10) . 2_756
O21 Ho1 Co2 67.45(9) 2_756 2_756
O23 Ho1 Co2 106.75(9) . 2_756
O15 Ho1 Co2 76.45(8) . 2_756
O15 Ho1 Co2 35.76(7) 2_756 2_756
O13 Ho1 Co2 141.75(9) . 2_756
C13 Ho1 Co2 126.38(11) . 2_756
Co2 Ho1 Co2 102.89(3) . 2_756
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C12 O12 1.249(6) .
C12 O22 1.265(6) .
C12 C22 1.536(8) .
C11 O21 1.241(6) .
C11 O11 1.277(6) .
C11 C21 1.530(8) .
C13 O23 1.257(7) .
C13 O13 1.261(6) .
C13 C23 1.500(7) .
C13 Ho1 2.761(5) .
C84 C74 1.426(9) .
C84 N14 1.481(7) .
C15 O15 1.432(6) .
C22 C52' 1.47(2) .
C22 C52 1.47(2) .
C22 C42' 1.509(14) .
C22 C32 1.553(16) .
C22 C42 1.566(14) .
C22 C32' 1.615(16) .
C21 C31' 1.480(12) .
C21 C41' 1.505(11) .
C21 C41 1.48(2) .
C21 C51 1.53(2) .
C21 C31 1.51(2) .
C21 C51' 1.564(12) .
C23 C43 1.525(10) .
C23 C33 1.523(10) .
C23 C53 1.565(9) .
C74 O24 1.379(7) .
C14 C24' 1.442(14) .
C14 C24 1.447(11) .
C14 N14 1.484(7) .
C24 O14 1.392(9) .
C24' O14 1.389(14) .
N14 C54 1.483(7) .
N14 Co2 1.984(4) .
O22 Co2 1.917(4) .
O21 Ho1 2.362(4) 2_756
O23 Ho1 2.376(4) .
O24 Co2 1.884(3) .
O24 Ho1 2.246(3) 2_756
O15 Co2 1.932(3) .
O15 Ho1 2.443(3) .
O15 Ho1 2.443(3) 2_756
O12 Ho1 2.337(4) .
O11 Co2 1.914(4) .
O13 Ho1 2.451(4) .
O14 Co2 1.894(3) .
O14 Ho1 2.240(3) .
C54 C64 1.513(8) .
C64 O34 1.388(15) .
C64 O34' 1.390(11) .
Co2 Ho1 3.2686(11) .
Co2 Ho1 3.2837(14) 2_756
Ho1 O24 2.246(3) 2_756
Ho1 O21 2.362(4) 2_756
Ho1 O15 2.443(3) 2_756
Ho1 Co2 3.2837(14) 2_756
