#------------------------------------------------------------------------------
#$Date: 2017-04-05 11:41:00 +0200 (Wed 05 de Apr de 2017) $
#$Revision: 195056 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/22/7042244.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_7042244
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 Er2 N2 O20'
_chemical_formula_weight         1415.52
_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                105.292(6)
_cell_angle_beta                 90.692(7)
_cell_angle_gamma                93.941(5)
_cell_formula_units_Z            1
_cell_length_a                   10.9196(9)
_cell_length_b                   11.1887(5)
_cell_length_c                   12.1589(10)
_cell_measurement_reflns_used    12315
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.3810
_cell_measurement_theta_min      3.7400
_cell_volume                     1428.84(18)
_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 0.995
_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  0.0416
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_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            24188
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         3.489
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.546
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93473
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_description       block
_exptl_crystal_F_000             714
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         6209
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0265
_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)+(0.0262P)²+1.0385P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0644
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5561
_reflns_number_total             6209
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04713k2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7042243--7042247.cif.'
_cod_database_code               7042244
_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.
;
_shelx_estimated_absorpt_t_min   0.93473
_shelx_estimated_absorpt_t_max   1.00000
_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
C11 C 0.6037(3) -0.3431(3) 0.8508(3) 0.0307(8) Uani 1 1 d . . . . .
C12 C 0.2860(3) -0.1544(3) 0.7221(3) 0.0311(8) Uani 1 1 d . . . . .
C13 C 0.1773(3) 0.2039(3) 0.8711(3) 0.0320(8) Uani 1 1 d . . . . .
C14 C 0.6136(5) 0.0086(4) 0.6387(4) 0.0624(14) Uani 1 1 d D . . . .
H14A H 0.6862 0.0409 0.6077 0.075 Uiso 0.565(9) 1 calc R U P A 1
H14B H 0.5477 -0.0064 0.5814 0.075 Uiso 0.565(9) 1 calc R U P A 1
H14C H 0.6877 0.0639 0.6557 0.075 Uiso 0.435(9) 1 calc R U P A 2
H14D H 0.5944 -0.0073 0.5578 0.075 Uiso 0.435(9) 1 calc R U P A 2
C24 C 0.5796(8) 0.1001(7) 0.7391(7) 0.0413(16) Uani 0.565(9) 1 d D . P A 1
H24A H 0.6532 0.1405 0.7824 0.050 Uiso 0.565(9) 1 calc R U P A 1
H24B H 0.5363 0.1631 0.7164 0.050 Uiso 0.565(9) 1 calc R U P A 1
C24' C 0.5167(10) 0.0700(10) 0.7000(9) 0.0413(16) Uani 0.435(9) 1 d D . P A 2
H24C H 0.5315 0.1588 0.7102 0.050 Uiso 0.435(9) 1 calc R U P A 2
H24D H 0.4404 0.0429 0.6562 0.050 Uiso 0.435(9) 1 calc R U P A 2
C15 C 0.3658(3) -0.2065(3) 0.9484(3) 0.0335(8) Uani 1 1 d . . . . .
H15A H 0.3329 -0.1844 1.0233 0.050 Uiso 1 1 calc R U . . .
H15B H 0.3003 -0.2182 0.8923 0.050 Uiso 1 1 calc R U . . .
H15C H 0.4060 -0.2822 0.9378 0.050 Uiso 1 1 calc R U . . .
C21 C 0.6329(4) -0.4776(3) 0.8041(4) 0.0456(10) Uani 1 1 d D . . . .
C22 C 0.1854(3) -0.2359(4) 0.6418(4) 0.0468(11) Uani 1 1 d D . . . .
C23 C 0.0732(4) 0.2715(4) 0.8376(4) 0.0426(10) Uani 1 1 d . . . . .
C32 C 0.2214(8) -0.3764(8) 0.6097(9) 0.080(3) Uani 0.582(6) 1 d D . P B 1
H32A H 0.2215 -0.4059 0.6771 0.119 Uiso 0.582(6) 1 calc R U P B 1
H32B H 0.1626 -0.4271 0.5546 0.119 Uiso 0.582(6) 1 calc R U P B 1
H32C H 0.3017 -0.3809 0.5782 0.119 Uiso 0.582(6) 1 calc R U P B 1
C42 C 0.1886(12) -0.2021(12) 0.5318(8) 0.100(4) Uani 0.582(6) 1 d D . P B 1
H42A H 0.2705 -0.2061 0.5040 0.149 Uiso 0.582(6) 1 calc R U P B 1
H42B H 0.1336 -0.2592 0.4772 0.149 Uiso 0.582(6) 1 calc R U P B 1
H42C H 0.1636 -0.1193 0.5429 0.149 Uiso 0.582(6) 1 calc R U P B 1
C52 C 0.0654(9) -0.2356(18) 0.7004(15) 0.118(6) Uani 0.582(6) 1 d D . P B 1
H52A H 0.0766 -0.2590 0.7701 0.177 Uiso 0.582(6) 1 calc R U P B 1
H52B H 0.0363 -0.1539 0.7171 0.177 Uiso 0.582(6) 1 calc R U P B 1
H52C H 0.0063 -0.2938 0.6515 0.177 Uiso 0.582(6) 1 calc R U P B 1
C32' C 0.2348(11) -0.3031(13) 0.5287(11) 0.080(3) Uani 0.418(6) 1 d D . P B 2
H32D H 0.2870 -0.2461 0.5004 0.119 Uiso 0.418(6) 1 calc R U P B 2
H32E H 0.2810 -0.3696 0.5385 0.119 Uiso 0.418(6) 1 calc R U P B 2
H32F H 0.1676 -0.3362 0.4752 0.119 Uiso 0.418(6) 1 calc R U P B 2
C42' C 0.1023(15) -0.1396(14) 0.6036(14) 0.100(4) Uani 0.418(6) 1 d D . P B 2
H42D H 0.1494 -0.0971 0.5573 0.149 Uiso 0.418(6) 1 calc R U P B 2
H42E H 0.0314 -0.1841 0.5605 0.149 Uiso 0.418(6) 1 calc R U P B 2
H42F H 0.0767 -0.0803 0.6701 0.149 Uiso 0.418(6) 1 calc R U P B 2
C52' C 0.1026(15) -0.293(2) 0.711(2) 0.118(6) Uani 0.418(6) 1 d D . P B 2
H52D H 0.0843 -0.2311 0.7787 0.177 Uiso 0.418(6) 1 calc R U P B 2
H52E H 0.0279 -0.3253 0.6675 0.177 Uiso 0.418(6) 1 calc R U P B 2
H52F H 0.1413 -0.3587 0.7308 0.177 Uiso 0.418(6) 1 calc R U P B 2
C33 C 0.1228(5) 0.3921(5) 0.8121(5) 0.0709(15) Uani 1 1 d . . . . .
H33A H 0.0558 0.4337 0.7911 0.106 Uiso 1 1 calc R U . . .
H33B H 0.1652 0.4450 0.8788 0.106 Uiso 1 1 calc R U . . .
H33C H 0.1785 0.3735 0.7505 0.106 Uiso 1 1 calc R U . . .
C34 C 0.7668(3) -0.1125(5) 0.7039(3) 0.0546(12) Uani 1 1 d . . . . .
H34A H 0.7893 -0.1977 0.6842 0.065 Uiso 1 1 calc R U . . .
H34B H 0.8207 -0.0666 0.6640 0.065 Uiso 1 1 calc R U . . .
C31 C 0.7673(6) -0.4689(6) 0.7584(7) 0.085(2) Uani 0.836(7) 1 d D . P C 1
H31A H 0.8229 -0.4266 0.8204 0.127 Uiso 0.836(7) 1 calc R U P C 1
H31B H 0.7922 -0.5510 0.7257 0.127 Uiso 0.836(7) 1 calc R U P C 1
H31C H 0.7685 -0.4236 0.7014 0.127 Uiso 0.836(7) 1 calc R U P C 1
C41 C 0.6419(8) -0.5438(6) 0.8965(6) 0.082(3) Uani 0.836(7) 1 d D . P C 1
H41A H 0.6956 -0.4949 0.9573 0.123 Uiso 0.836(7) 1 calc R U P C 1
H41B H 0.5618 -0.5557 0.9253 0.123 Uiso 0.836(7) 1 calc R U P C 1
H41C H 0.6740 -0.6232 0.8658 0.123 Uiso 0.836(7) 1 calc R U P C 1
C51 C 0.5521(8) -0.5437(5) 0.7042(7) 0.101(3) Uani 0.836(7) 1 d D . P C 1
H51A H 0.5517 -0.4951 0.6498 0.151 Uiso 0.836(7) 1 calc R U P C 1
H51B H 0.5823 -0.6230 0.6693 0.151 Uiso 0.836(7) 1 calc R U P C 1
H51C H 0.4701 -0.5555 0.7289 0.151 Uiso 0.836(7) 1 calc R U P C 1
C31' C 0.670(3) -0.513(3) 0.6814(17) 0.085(2) Uani 0.164(7) 1 d D . P C 2
H31D H 0.6140 -0.4816 0.6360 0.127 Uiso 0.164(7) 1 calc R U P C 2
H31E H 0.7517 -0.4771 0.6760 0.127 Uiso 0.164(7) 1 calc R U P C 2
H31F H 0.6684 -0.6014 0.6539 0.127 Uiso 0.164(7) 1 calc R U P C 2
C41' C 0.713(3) -0.520(4) 0.882(3) 0.082(3) Uani 0.164(7) 1 d D . P C 2
H41D H 0.6831 -0.4945 0.9580 0.123 Uiso 0.164(7) 1 calc R U P C 2
H41E H 0.7117 -0.6092 0.8583 0.123 Uiso 0.164(7) 1 calc R U P C 2
H41F H 0.7949 -0.4848 0.8804 0.123 Uiso 0.164(7) 1 calc R U P C 2
C51' C 0.4995(19) -0.541(3) 0.806(3) 0.101(3) Uani 0.164(7) 1 d D . P C 2
H51D H 0.4456 -0.5145 0.7557 0.151 Uiso 0.164(7) 1 calc R U P C 2
H51E H 0.5019 -0.6297 0.7816 0.151 Uiso 0.164(7) 1 calc R U P C 2
H51F H 0.4698 -0.5175 0.8823 0.151 Uiso 0.164(7) 1 calc R U P C 2
C43 C 0.0088(4) 0.1867(6) 0.7313(4) 0.0703(15) Uani 1 1 d . . . . .
H43A H -0.0577 0.2275 0.7082 0.106 Uiso 1 1 calc R U . . .
H43B H 0.0662 0.1679 0.6710 0.106 Uiso 1 1 calc R U . . .
H43C H -0.0227 0.1111 0.7473 0.106 Uiso 1 1 calc R U . . .
C44 C 0.7869(4) -0.0601(6) 0.8249(4) 0.0649(15) Uani 1 1 d . . . . .
H44A H 0.8494 -0.1040 0.8519 0.078 Uiso 1 1 calc R U . . .
H44B H 0.8178 0.0261 0.8388 0.078 Uiso 1 1 calc R U . . .
C53 C -0.0179(4) 0.3002(6) 0.9342(4) 0.0722(16) Uani 1 1 d . . . . .
H53A H -0.0837 0.3429 0.9127 0.108 Uiso 1 1 calc R U . . .
H53B H -0.0506 0.2239 0.9483 0.108 Uiso 1 1 calc R U . . .
H53C H 0.0234 0.3516 1.0021 0.108 Uiso 1 1 calc R U . . .
C54 C 0.6094(4) -0.2158(4) 0.5608(3) 0.0487(11) Uani 1 1 d . . . . .
H54A H 0.5281 -0.2070 0.5324 0.058 Uiso 1 1 calc R U . . .
H54B H 0.6052 -0.2921 0.5848 0.058 Uiso 1 1 calc R U . . .
N14 N 0.6389(3) -0.1108(3) 0.6632(2) 0.0282(6) Uani 1 1 d . . . . .
O11 O 0.5720(2) -0.2901(2) 0.77518(19) 0.0292(5) Uani 1 1 d . . . . .
O12 O 0.2545(2) -0.0680(2) 0.8008(2) 0.0342(6) Uani 1 1 d . . . . .
O13 O 0.2759(2) 0.1979(2) 0.8170(2) 0.0341(6) Uani 1 1 d . . . . .
O14 O 0.5051(2) 0.0461(2) 0.80757(18) 0.0253(5) Uani 1 1 d D . . . .
O15 O 0.45302(19) -0.1085(2) 0.93608(18) 0.0235(5) Uani 1 1 d . . . . .
O21 O 0.6131(2) -0.2941(2) 0.9555(2) 0.0337(6) Uani 1 1 d . . . . .
O22 O 0.3950(2) -0.1839(2) 0.70100(19) 0.0290(5) Uani 1 1 d . . . . .
O23 O 0.1635(2) 0.1516(2) 0.9501(2) 0.0365(6) Uani 1 1 d . . . . .
O24 O 0.68301(19) -0.0660(2) 0.88618(18) 0.0255(5) Uani 1 1 d . . . . .
C64 C 0.6954(4) -0.2311(4) 0.4629(3) 0.0504(11) Uani 1 1 d D . . . .
H64A H 0.7737 -0.2533 0.4870 0.060 Uiso 0.700(15) 1 calc R U P D 1
H64B H 0.6622 -0.2996 0.4006 0.060 Uiso 0.700(15) 1 calc R U P D 1
H64C H 0.7791 -0.2032 0.4898 0.060 Uiso 0.300(15) 1 calc R U P D 2
H64D H 0.6929 -0.3170 0.4181 0.060 Uiso 0.300(15) 1 calc R U P D 2
O34 O 0.7155(10) -0.1261(6) 0.4225(6) 0.081(2) Uani 0.700(15) 1 d D . P D 1
H34 H 0.6999 -0.1446 0.3536 0.122 Uiso 0.700(15) 1 calc R U P D 1
O34' O 0.650(2) -0.1563(17) 0.4007(13) 0.081(2) Uani 0.300(15) 1 d D . P D 2
H34' H 0.6912 -0.1592 0.3446 0.122 Uiso 0.300(15) 1 calc R U P D 2
Co2 Co 0.53836(4) -0.12027(4) 0.79591(4) 0.02175(10) Uani 1 1 d . . . . .
Er1 Er 0.36458(2) 0.08522(2) 0.94103(2) 0.02386(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'
Er Er -0.2586 4.9576 '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 C11 O11 125.9(3) . .
O21 C11 C21 119.6(3) . .
O11 C11 C21 114.5(3) . .
O12 C12 O22 126.2(3) . .
O12 C12 C22 118.2(3) . .
O22 C12 C22 115.6(3) . .
O23 C13 O13 120.7(3) . .
O23 C13 C23 119.7(3) . .
O13 C13 C23 119.6(3) . .
O23 C13 Er1 58.67(17) . .
O13 C13 Er1 62.13(17) . .
C23 C13 Er1 177.7(3) . .
C24' C14 N14 115.0(5) . .
C24 C14 N14 112.3(4) . .
O14 C24 C14 111.2(5) . .
O14 C24' C14 112.1(7) . .
C51 C21 C41 115.0(5) . .
C41' C21 C31' 114.4(13) . .
C41' C21 C11 112.8(16) . .
C51 C21 C11 112.1(4) . .
C41 C21 C11 112.2(4) . .
C31' C21 C11 115.2(13) . .
C41' C21 C51' 107.9(13) . .
C31' C21 C51' 106.4(13) . .
C11 C21 C51' 98.3(11) . .
C51 C21 C31 106.6(5) . .
C41 C21 C31 105.5(5) . .
C11 C21 C31 104.3(4) . .
C42 C22 C52 118.3(9) . .
C52' C22 C32' 125.1(13) . .
C52' C22 C12 107.8(11) . .
C42 C22 C12 108.3(5) . .
C52 C22 C12 111.0(8) . .
C32' C22 C12 112.3(5) . .
C42 C22 C32 104.1(7) . .
C52 C22 C32 105.8(9) . .
C12 C22 C32 108.8(4) . .
C52' C22 C42' 103.2(10) . .
C32' C22 C42' 100.9(9) . .
C12 C22 C42' 105.1(6) . .
C13 C23 C43 107.8(4) . .
C13 C23 C33 110.6(3) . .
C43 C23 C33 109.4(4) . .
C13 C23 C53 109.7(3) . .
C43 C23 C53 109.5(4) . .
C33 C23 C53 109.8(4) . .
C44 C34 N14 114.2(3) . .
O24 C44 C34 113.4(3) . .
N14 C54 C64 117.7(3) . .
C34 N14 C54 110.3(3) . .
C34 N14 C14 112.9(4) . .
C54 N14 C14 110.2(3) . .
C34 N14 Co2 104.3(2) . .
C54 N14 Co2 113.4(2) . .
C14 N14 Co2 105.6(2) . .
C11 O11 Co2 128.0(2) . .
C12 O12 Er1 132.9(2) . .
C13 O13 Er1 90.5(2) . .
C24 O14 Co2 112.4(3) . .
C24' O14 Co2 109.4(4) . .
C24 O14 Er1 143.5(3) . .
C24' O14 Er1 133.7(4) . .
Co2 O14 Er1 103.82(10) . .
C15 O15 Co2 121.3(2) . .
C15 O15 Er1 114.45(19) . .
Co2 O15 Er1 95.89(9) . .
C15 O15 Er1 112.76(19) . 2_657
Co2 O15 Er1 96.48(9) . 2_657
Er1 O15 Er1 113.95(8) . 2_657
C11 O21 Er1 131.0(2) . 2_657
C12 O22 Co2 126.6(2) . .
C13 O23 Er1 94.3(2) . .
C44 O24 Co2 114.2(2) . .
C44 O24 Er1 137.6(2) . 2_657
Co2 O24 Er1 105.07(10) . 2_657
O34' C64 C54 102.7(8) . .
O34 C64 C54 114.6(5) . .
O24 Co2 O14 90.55(10) . .
O24 Co2 O11 91.10(10) . .
O14 Co2 O11 176.84(10) . .
O24 Co2 O22 176.90(10) . .
O14 Co2 O22 92.33(10) . .
O11 Co2 O22 85.96(10) . .
O24 Co2 O15 87.29(10) . .
O14 Co2 O15 88.20(9) . .
O11 Co2 O15 94.57(10) . .
O22 Co2 O15 93.94(10) . .
O24 Co2 N14 86.70(11) . .
O14 Co2 N14 86.79(11) . .
O11 Co2 N14 90.61(11) . .
O22 Co2 N14 92.32(11) . .
O15 Co2 N14 172.13(11) . .
O24 Co2 Er1 97.44(7) . .
O14 Co2 Er1 41.75(7) . .
O11 Co2 Er1 140.55(7) . .
O22 Co2 Er1 85.48(7) . .
O15 Co2 Er1 47.85(6) . .
N14 Co2 Er1 128.15(9) . .
O24 Co2 Er1 41.19(7) . 2_657
O14 Co2 Er1 98.37(7) . 2_657
O11 Co2 Er1 84.64(7) . 2_657
O22 Co2 Er1 139.22(7) . 2_657
O15 Co2 Er1 47.63(7) . 2_657
N14 Co2 Er1 127.32(9) . 2_657
Er1 Co2 Er1 77.24(2) . 2_657
O14 Er1 O24 143.71(8) . 2_657
O14 Er1 O12 80.05(9) . .
O24 Er1 O12 110.23(9) 2_657 .
O14 Er1 O21 110.25(9) . 2_657
O24 Er1 O21 80.30(9) 2_657 2_657
O12 Er1 O21 147.30(8) . 2_657
O14 Er1 O23 135.25(8) . .
O24 Er1 O23 80.61(8) 2_657 .
O12 Er1 O23 76.10(9) . .
O21 Er1 O23 75.32(9) 2_657 .
O14 Er1 O15 69.69(8) . .
O24 Er1 O15 79.90(7) 2_657 .
O12 Er1 O15 73.40(8) . .
O21 Er1 O15 139.20(8) 2_657 .
O23 Er1 O15 135.04(8) . .
O14 Er1 O15 81.03(8) . 2_657
O24 Er1 O15 68.54(8) 2_657 2_657
O12 Er1 O15 139.07(8) . 2_657
O21 Er1 O15 73.57(8) 2_657 2_657
O23 Er1 O15 139.08(8) . 2_657
O15 Er1 O15 66.05(9) . 2_657
O14 Er1 O13 83.40(8) . .
O24 Er1 O13 132.52(8) 2_657 .
O12 Er1 O13 75.62(9) . .
O21 Er1 O13 74.97(9) 2_657 .
O23 Er1 O13 54.32(8) . .
O15 Er1 O13 141.75(8) . .
O15 Er1 O13 137.17(8) 2_657 .
O14 Er1 C13 109.96(10) . .
O24 Er1 C13 106.33(10) 2_657 .
O12 Er1 C13 75.01(10) . .
O21 Er1 C13 72.30(10) 2_657 .
O23 Er1 C13 27.02(9) . .
O15 Er1 C13 147.94(9) . .
O15 Er1 C13 145.86(9) 2_657 .
O13 Er1 C13 27.33(9) . .
O14 Er1 Co2 34.43(6) . .
O24 Er1 Co2 115.67(6) 2_657 .
O12 Er1 Co2 67.56(6) . .
O21 Er1 Co2 137.20(7) 2_657 .
O23 Er1 Co2 143.37(7) . .
O15 Er1 Co2 36.26(5) . .
O15 Er1 Co2 76.38(6) 2_657 .
O13 Er1 Co2 110.00(6) . .
C13 Er1 Co2 130.84(8) . .
O14 Er1 Co2 116.47(6) . 2_657
O24 Er1 Co2 33.74(6) 2_657 2_657
O12 Er1 Co2 136.82(7) . 2_657
O21 Er1 Co2 67.76(6) 2_657 2_657
O23 Er1 Co2 106.79(6) . 2_657
O15 Er1 Co2 76.04(5) . 2_657
O15 Er1 Co2 35.89(5) 2_657 2_657
O13 Er1 Co2 141.88(6) . 2_657
C13 Er1 Co2 126.39(7) . 2_657
Co2 Er1 Co2 102.76(2) . 2_657
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C11 O21 1.245(4) .
C11 O11 1.276(4) .
C11 C21 1.519(5) .
C12 O12 1.239(4) .
C12 O22 1.268(4) .
C12 C22 1.536(5) .
C13 O23 1.255(4) .
C13 O13 1.265(4) .
C13 C23 1.517(5) .
C13 Er1 2.756(3) .
C14 C24' 1.412(9) .
C14 C24 1.442(8) .
C14 N14 1.487(5) .
C24 O14 1.391(7) .
C24' O14 1.407(9) .
C15 O15 1.442(4) .
C21 C41' 1.468(18) .
C21 C51 1.488(7) .
C21 C41 1.506(7) .
C21 C31' 1.508(18) .
C21 C51' 1.580(18) .
C21 C31 1.581(7) .
C22 C52' 1.463(16) .
C22 C42 1.483(10) .
C22 C52 1.500(10) .
C22 C32' 1.508(12) .
C22 C32 1.595(9) .
C22 C42' 1.608(13) .
C23 C43 1.519(6) .
C23 C33 1.528(7) .
C23 C53 1.531(6) .
C34 C44 1.441(6) .
C34 N14 1.478(5) .
C44 O24 1.372(4) .
C54 N14 1.484(5) .
C54 C64 1.506(5) .
N14 Co2 1.984(3) .
O11 Co2 1.911(2) .
O12 Er1 2.327(2) .
O13 Er1 2.436(2) .
O14 Co2 1.891(2) .
O14 Er1 2.226(2) .
O15 Co2 1.931(2) .
O15 Er1 2.420(2) .
O15 Er1 2.433(2) 2_657
O21 Er1 2.339(2) 2_657
O22 Co2 1.913(2) .
O23 Er1 2.361(2) .
O24 Co2 1.882(2) .
O24 Er1 2.232(2) 2_657
C64 O34' 1.381(14) .
C64 O34 1.394(7) .
Co2 Er1 3.2468(10) .
Co2 Er1 3.2722(13) 2_657
Er1 O24 2.232(2) 2_657
Er1 O21 2.339(3) 2_657
Er1 O15 2.433(2) 2_657
Er1 Co2 3.2721(13) 2_657
