#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:54:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179430 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/27/4332729.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332729
loop_
_publ_author_name
'Poplaukhin, Pavel V.'
'Chen, Xuenian'
'Meyers, Edward A.'
'Shore, Sheldon G.'
_publ_section_title
;
 Lanthanide−Transition Metal Carbonyl Complexes: 
 Condensation of Solvent-Separated Ion-Pair Compounds into Extended
 Structures
;
_journal_issue                   25
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10115
_journal_page_last               10125
_journal_paper_doi               10.1021/ic060756k
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C48 H40 Mn6 O33 Yb'
_chemical_formula_weight         1647.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.186(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.6814(10)
_cell_length_b                   22.7064(10)
_cell_length_c                   12.7820(10)
_cell_measurement_temperature    200(2)
_cell_volume                     3092.7(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0660
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            76446
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    2.772
_exptl_absorpt_correction_T_max  0.717
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (BLESSING, 1995)'
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.862
_refine_diff_density_min         -0.482
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         5602
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0403P)²+3.6796P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0814
_reflns_number_gt                4608
_reflns_number_total             5602
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060756ksup1.cif
_cod_data_source_block           p6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_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 2.4.2 from
2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed
to 'constr' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3092.7(4)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4332729
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.90624(2) 0.2500 0.26473(2) 0.03645(10) Uani 1 2 d S . .
O5 O 0.7169(4) 0.2500 0.0954(3) 0.0452(10) Uani 1 2 d S . .
C51 C 0.6506(6) 0.3008(3) 0.0316(5) 0.0815(18) Uani 1 1 d . . .
H51A H 0.7106 0.3319 0.0330 0.098 Uiso 1 1 calc R A .
H51B H 0.5944 0.3169 0.0651 0.098 Uiso 1 1 calc R . .
C52 C 0.5775(8) 0.2809(3) -0.0864(5) 0.135(3) Uani 1 1 d D . .
H52A H 0.4904 0.2959 -0.1143 0.162 Uiso 1 1 calc R . .
H52B H 0.6155 0.2959 -0.1377 0.162 Uiso 1 1 calc R . .
O6 O 0.9178(3) 0.35349(14) 0.2905(3) 0.0620(9) Uani 1 1 d D A .
C61 C 1.0110(9) 0.3943(4) 0.2815(8) 0.063(3) Uiso 0.593(8) 1 d PD A 1
H61A H 0.9873 0.4061 0.2008 0.075 Uiso 0.593(8) 1 calc PR A 1
H61B H 1.0950 0.3758 0.3110 0.075 Uiso 0.593(8) 1 calc PR A 1
C64 C 0.8216(10) 0.3969(5) 0.2902(10) 0.089(3) Uiso 0.593(8) 1 d PD A 1
H64A H 0.7605 0.3783 0.3155 0.107 Uiso 0.593(8) 1 calc PR A 1
H64B H 0.7758 0.4140 0.2129 0.107 Uiso 0.593(8) 1 calc PR A 1
C63 C 0.8993(13) 0.4436(7) 0.3756(14) 0.122(5) Uiso 0.593(8) 1 d PD A 1
H63A H 0.8554 0.4820 0.3607 0.147 Uiso 0.593(8) 1 calc PR A 1
H63B H 0.9196 0.4314 0.4556 0.147 Uiso 0.593(8) 1 calc PR A 1
C62 C 1.0109(8) 0.4462(4) 0.3528(8) 0.058(2) Uiso 0.593(8) 1 d PD A 1
H62A H 1.0868 0.4457 0.4258 0.070 Uiso 0.593(8) 1 calc PR A 1
H62B H 1.0112 0.4831 0.3115 0.070 Uiso 0.593(8) 1 calc PR A 1
C61' C 0.9079(17) 0.4004(6) 0.2283(13) 0.089(5) Uiso 0.407(8) 1 d PD A 2
H61C H 0.8308 0.3989 0.1563 0.107 Uiso 0.407(8) 1 calc PR A 2
H61D H 0.9815 0.4045 0.2092 0.107 Uiso 0.407(8) 1 calc PR A 2
C62' C 0.9017(15) 0.4526(7) 0.3062(12) 0.086(5) Uiso 0.407(8) 1 d PD A 2
H62C H 0.9340 0.4895 0.2871 0.104 Uiso 0.407(8) 1 calc PR A 2
H62D H 0.8148 0.4592 0.2984 0.104 Uiso 0.407(8) 1 calc PR A 2
C63' C 0.9860(15) 0.4314(6) 0.4263(12) 0.077(4) Uiso 0.407(8) 1 d PD A 2
H63C H 1.0725 0.4465 0.4500 0.092 Uiso 0.407(8) 1 calc PR A 2
H63D H 0.9533 0.4445 0.4827 0.092 Uiso 0.407(8) 1 calc PR A 2
C64' C 0.983(2) 0.3660(8) 0.4166(14) 0.148(9) Uiso 0.407(8) 1 d PD A 2
H64C H 0.9362 0.3485 0.4584 0.177 Uiso 0.407(8) 1 calc PR A 2
H64D H 1.0692 0.3497 0.4484 0.177 Uiso 0.407(8) 1 calc PR A 2
O7 O 0.7763(4) 0.2500 0.3677(3) 0.0501(11) Uani 1 2 d SD . .
C71 C 0.7966(9) 0.2747(5) 0.4798(8) 0.074(4) Uani 0.50 1 d PD . .
H71A H 0.8301 0.3153 0.4877 0.089 Uiso 0.50 1 calc PR A .
H71B H 0.8564 0.2502 0.5425 0.089 Uiso 1 2 calc SR . .
C73 C 0.5909(10) 0.2319(4) 0.3973(9) 0.071(3) Uiso 0.50 1 d PD . .
H73A H 0.5019 0.2444 0.3654 0.085 Uiso 0.50 1 calc PR A .
H73B H 0.5981 0.1920 0.4308 0.085 Uiso 0.50 1 calc PR . .
C72 C 0.6720(9) 0.2745(5) 0.4830(9) 0.077(4) Uani 0.50 1 d PD A .
H72A H 0.6345 0.3143 0.4654 0.092 Uiso 0.50 1 calc PR . .
H72B H 0.6798 0.2633 0.5605 0.092 Uiso 0.50 1 calc PR . .
C74 C 0.6434(8) 0.2335(5) 0.3072(8) 0.076(3) Uiso 0.50 1 d PD . .
H74A H 0.6355 0.1945 0.2705 0.091 Uiso 0.50 1 calc PR . .
H74B H 0.5980 0.2629 0.2473 0.091 Uiso 0.50 1 calc PR . .
O8 O 1.1175(4) 0.2500 0.4050(4) 0.0762(16) Uani 1 2 d SD . .
C81 C 1.1511(11) 0.2817(6) 0.5164(10) 0.097(4) Uiso 0.50 1 d PD . .
H81A H 1.1183 0.3224 0.5017 0.117 Uiso 0.50 1 calc PR A .
H81B H 1.1127 0.2614 0.5627 0.117 Uiso 0.50 1 calc PR . .
C82 C 1.2854(7) 0.2828(6) 0.5782(7) 0.079(4) Uani 0.50 1 d PD A .
H82A H 1.3106 0.2642 0.6545 0.095 Uiso 0.50 1 calc PR . .
H82B H 1.3168 0.3238 0.5889 0.095 Uiso 0.50 1 calc PR . .
C83 C 1.3351(8) 0.2500 0.5093(8) 0.094(3) Uani 1 2 d SD . .
H83A H 1.3564 0.2093 0.5384 0.113 Uiso 0.50 1 calc PR A .
H83B H 1.4113 0.2693 0.5097 0.113 Uiso 0.50 1 calc PR . .
C84 C 1.2332(6) 0.2500 0.3924(6) 0.068(2) Uani 1 2 d SD . .
H84A H 1.2393 0.2854 0.3497 0.082 Uiso 0.50 1 calc PR . .
H84B H 1.2393 0.2146 0.3497 0.082 Uiso 0.50 1 calc PR . .
Mn1 Mn 1.10340(6) 0.37675(3) -0.06574(5) 0.04470(18) Uani 1 1 d . . .
C11 C 1.2597(5) 0.3713(3) -0.0653(5) 0.0739(16) Uani 1 1 d . . .
O11 O 1.3571(4) 0.3689(3) -0.0655(5) 0.1237(19) Uani 1 1 d . . .
C12 C 1.1047(4) 0.4560(3) -0.0599(4) 0.0582(13) Uani 1 1 d . . .
O12 O 1.1066(3) 0.50643(18) -0.0547(3) 0.0784(11) Uani 1 1 d . . .
C13 C 0.9458(5) 0.3703(2) -0.0675(4) 0.0523(12) Uani 1 1 d . . .
O13 O 0.8483(3) 0.36740(16) -0.0685(4) 0.0744(11) Uani 1 1 d . . .
C14 C 1.1728(4) 0.3649(2) 0.0890(4) 0.0529(12) Uani 1 1 d . . .
O14 O 1.2174(4) 0.35958(17) 0.1864(3) 0.0818(12) Uani 1 1 d . . .
C15 C 1.0341(5) 0.3690(2) -0.2223(5) 0.0637(14) Uani 1 1 d . . .
O15 O 0.9922(4) 0.3645(2) -0.3204(3) 0.0981(14) Uani 1 1 d . . .
Mn2 Mn 1.09952(7) 0.2500 -0.05302(7) 0.0359(2) Uani 1 2 d S . .
C21 C 1.1615(7) 0.2500 -0.1631(6) 0.072(2) Uani 1 2 d S . .
O21 O 1.1997(7) 0.2500 -0.2330(6) 0.127(3) Uani 1 2 d S . .
C22 C 1.2614(6) 0.2500 0.0551(6) 0.0526(16) Uani 1 2 d S . .
O22 O 1.3628(5) 0.2500 0.1228(5) 0.0836(17) Uani 1 2 d S . .
C23 C 0.9382(6) 0.2500 -0.1641(5) 0.0438(14) Uani 1 2 d S . .
O23 O 0.8380(5) 0.2500 -0.2321(4) 0.0704(14) Uani 1 2 d S . .
C24 C 1.0403(5) 0.2500 0.0558(5) 0.0364(13) Uani 1 2 d S . .
O24 O 1.0009(4) 0.2500 0.1266(3) 0.0474(10) Uani 1 2 d S A .
Mn3 Mn 0.5000 0.5000 0.5000 0.0392(2) Uani 1 2 d S . .
C31 C 0.3605(4) 0.5408(2) 0.4891(4) 0.0509(11) Uani 1 1 d . . .
O31 O 0.2736(3) 0.56694(18) 0.4820(3) 0.0762(11) Uani 1 1 d . . .
C32 C 0.4060(4) 0.4328(2) 0.4565(4) 0.0514(11) Uani 1 1 d . . .
O32 O 0.3466(4) 0.39075(16) 0.4297(3) 0.0795(12) Uani 1 1 d . . .
Mn4 Mn 0.44823(6) 0.52806(3) 0.26334(5) 0.04344(17) Uani 1 1 d . . .
C41 C 0.4877(4) 0.4502(2) 0.2570(4) 0.0565(12) Uani 1 1 d . . .
O41 O 0.5115(4) 0.40191(17) 0.2496(4) 0.0795(11) Uani 1 1 d . . .
C42 C 0.4179(4) 0.6023(2) 0.3043(4) 0.0518(11) Uani 1 1 d . . .
O42 O 0.3993(4) 0.64865(16) 0.3280(3) 0.0709(10) Uani 1 1 d . . .
C43 C 0.6152(5) 0.5480(2) 0.3174(4) 0.0597(13) Uani 1 1 d . . .
O43 O 0.7180(3) 0.5620(2) 0.3485(4) 0.0885(13) Uani 1 1 d . . .
C44 C 0.2875(5) 0.50783(19) 0.2422(4) 0.0495(11) Uani 1 1 d . . .
O44 O 0.1863(3) 0.49700(16) 0.2262(3) 0.0654(9) Uani 1 1 d . . .
C45 C 0.4120(4) 0.5435(2) 0.1142(4) 0.0524(11) Uani 1 1 d . . .
O45 O 0.3893(3) 0.55306(17) 0.0202(3) 0.0719(10) 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'
Mn Mn 0.3368 0.7283 '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
O6 Yb1 O6 165.42(18) . 4_565
O6 Yb1 O5 96.05(9) . .
O6 Yb1 O5 96.05(9) 4_565 .
O6 Yb1 O7 86.34(8) . .
O6 Yb1 O7 86.34(8) 4_565 .
O5 Yb1 O7 86.42(14) . .
O6 Yb1 O8 85.00(8) . .
O6 Yb1 O8 85.00(8) 4_565 .
O5 Yb1 O8 167.19(14) . .
O7 Yb1 O8 106.40(15) . .
O6 Yb1 O24 94.81(8) . .
O6 Yb1 O24 94.81(8) 4_565 .
O5 Yb1 O24 82.50(13) . .
O7 Yb1 O24 168.92(14) . .
O8 Yb1 O24 84.68(15) . .
O6 Yb1 C64' 26.7(3) . .
O6 Yb1 C64' 138.7(4) 4_565 .
O5 Yb1 C64' 118.8(4) . .
O7 Yb1 C64' 75.3(4) . .
O8 Yb1 C64' 66.0(4) . .
O24 Yb1 C64' 110.2(4) . .
O6 Yb1 C64' 138.7(4) . 4_565
O6 Yb1 C64' 26.7(3) 4_565 4_565
O5 Yb1 C64' 118.8(4) . 4_565
O7 Yb1 C64' 75.3(4) . 4_565
O8 Yb1 C64' 66.0(4) . 4_565
O24 Yb1 C64' 110.2(4) . 4_565
C64' Yb1 C64' 112.1(7) . 4_565
C51 O5 C51 106.3(5) . 4_565
C51 O5 Yb1 126.8(3) . .
C51 O5 Yb1 126.8(3) 4_565 .
O5 C51 C52 106.7(5) . .
O5 C51 H51A 110.4 . .
C52 C51 H51A 110.4 . .
O5 C51 H51B 110.4 . .
C52 C51 H51B 110.4 . .
H51A C51 H51B 108.6 . .
C52 C52 C51 107.9(3) 4_565 .
C52 C52 H52A 110.1 4_565 .
C51 C52 H52A 110.1 . .
C52 C52 H52B 110.1 4_565 .
C51 C52 H52B 110.1 . .
H52A C52 H52B 108.4 . .
C61' O6 C61 47.3(8) . .
C61' O6 C64 65.2(8) . .
C61 O6 C64 99.4(6) . .
C61' O6 C64' 112.3(11) . .
C61 O6 C64' 84.2(10) . .
C64 O6 C64' 85.9(10) . .
C61' O6 Yb1 137.7(7) . .
C61 O6 Yb1 128.1(4) . .
C64 O6 Yb1 130.9(5) . .
C64' O6 Yb1 108.2(8) . .
O6 C61 C62 105.4(6) . .
O6 C61 H61A 110.7 . .
C62 C61 H61A 110.7 . .
O6 C61 H61B 110.7 . .
C62 C61 H61B 110.7 . .
H61A C61 H61B 108.8 . .
O6 C64 C63 103.3(8) . .
O6 C64 H64A 111.1 . .
C63 C64 H64A 111.1 . .
O6 C64 H64B 111.1 . .
C63 C64 H64B 111.1 . .
H64A C64 H64B 109.1 . .
C62 C63 C64 101.9(10) . .
C62 C63 H63A 111.4 . .
C64 C63 H63A 111.4 . .
C62 C63 H63B 111.4 . .
C64 C63 H63B 111.4 . .
H63A C63 H63B 109.3 . .
C63 C62 C61 108.5(8) . .
C63 C62 H62A 110.0 . .
C61 C62 H62A 110.0 . .
C63 C62 H62B 110.0 . .
C61 C62 H62B 110.0 . .
H62A C62 H62B 108.4 . .
O6 C61' C62' 104.3(11) . .
O6 C61' H61C 110.9 . .
C62' C61' H61C 110.9 . .
O6 C61' H61D 110.9 . .
C62' C61' H61D 110.9 . .
H61C C61' H61D 108.9 . .
C63' C62' C61' 102.8(12) . .
C63' C62' H62C 111.2 . .
C61' C62' H62C 111.2 . .
C63' C62' H62D 111.2 . .
C61' C62' H62D 111.2 . .
H62C C62' H62D 109.1 . .
C64' C63' C62' 104.4(13) . .
C64' C63' H63C 110.9 . .
C62' C63' H63C 110.9 . .
C64' C63' H63D 110.9 . .
C62' C63' H63D 110.9 . .
H63C C63' H63D 108.9 . .
C63' C64' O6 105.2(13) . .
C63' C64' Yb1 150.3(11) . .
O6 C64' Yb1 45.2(5) . .
C63' C64' H64C 110.7 . .
O6 C64' H64C 110.7 . .
Yb1 C64' H64C 85.3 . .
C63' C64' H64D 110.7 . .
O6 C64' H64D 110.7 . .
Yb1 C64' H64D 85.8 . .
H64C C64' H64D 108.8 . .
C71 O7 C71 45.0(10) . 4_565
C71 O7 C74 108.9(6) . .
C71 O7 C74 97.4(6) 4_565 .
C71 O7 C74 97.4(6) . 4_565
C71 O7 C74 108.9(6) 4_565 4_565
C71 O7 Yb1 131.0(4) . .
C71 O7 Yb1 131.0(4) 4_565 .
C74 O7 Yb1 118.9(4) . .
C74 O7 Yb1 118.9(4) 4_565 .
O7 C71 C72 105.1(7) . .
O7 C71 H71A 110.7 . .
C72 C71 H71A 110.7 . .
O7 C71 H71B 110.7 . .
C72 C71 H71B 110.7 . .
H71A C71 H71B 108.8 . .
C72 C73 C74 102.2(8) . .
C72 C73 H73A 111.3 . .
C74 C73 H73A 111.3 . .
C72 C73 H73B 111.3 . .
C74 C73 H73B 111.3 . .
H73A C73 H73B 109.2 . .
C71 C72 C73 108.8(8) . .
C71 C72 H72A 109.9 . .
C73 C72 H72A 109.9 . .
C71 C72 H72B 109.9 . .
C73 C72 H72B 109.9 . .
H72A C72 H72B 108.3 . .
O7 C74 C73 106.1(8) . .
O7 C74 H74A 110.5 . .
C73 C74 H74A 110.5 . .
O7 C74 H74B 110.5 . .
C73 C74 H74B 110.5 . .
H74A C74 H74B 108.7 . .
C84 O8 C81 102.5(6) . .
C84 O8 C81 102.5(6) . 4_565
C81 O8 C81 57.4(11) . 4_565
C84 O8 Yb1 130.8(4) . .
C81 O8 Yb1 120.2(5) . .
C81 O8 Yb1 120.2(5) 4_565 .
C82 C81 O8 109.4(9) . .
C82 C81 H81A 109.8 . .
O8 C81 H81A 109.8 . .
C82 C81 H81B 109.8 . .
O8 C81 H81B 109.8 . .
H81A C81 H81B 108.2 . .
C81 C82 C83 106.0(9) . .
C81 C82 H82A 110.5 . .
C83 C82 H82A 110.5 . .
C81 C82 H82B 110.5 . .
C83 C82 H82B 110.5 . .
H82A C82 H82B 108.7 . .
C82 C83 C84 105.0(7) . .
C82 C83 H83A 110.8 . .
C84 C83 H83A 110.8 . .
C82 C83 H83B 110.8 . .
C84 C83 H83B 110.8 . .
H83A C83 H83B 108.8 . .
O8 C84 C83 107.0(7) . .
O8 C84 H84A 110.3 . .
C83 C84 H84A 110.3 . .
O8 C84 H84B 110.3 . .
C83 C84 H84B 110.3 . .
H84A C84 H84B 108.6 . .
C12 Mn1 C14 96.3(2) . .
C12 Mn1 C11 94.4(3) . .
C14 Mn1 C11 89.3(2) . .
C12 Mn1 C15 97.7(2) . .
C14 Mn1 C15 166.0(2) . .
C11 Mn1 C15 89.4(2) . .
C12 Mn1 C13 94.1(2) . .
C14 Mn1 C13 90.0(2) . .
C11 Mn1 C13 171.5(2) . .
C15 Mn1 C13 89.2(2) . .
C12 Mn1 Mn2 174.22(16) . .
C14 Mn1 Mn2 78.58(15) . .
C11 Mn1 Mn2 88.3(2) . .
C15 Mn1 Mn2 87.43(17) . .
C13 Mn1 Mn2 83.25(15) . .
O11 C11 Mn1 178.8(6) . .
O12 C12 Mn1 179.1(5) . .
O13 C13 Mn1 178.8(4) . .
O14 C14 Mn1 177.5(4) . .
O15 C15 Mn1 179.0(5) . .
C24 Mn2 C21 179.5(3) . .
C24 Mn2 C22 91.2(3) . .
C21 Mn2 C22 88.2(3) . .
C24 Mn2 C23 90.0(3) . .
C21 Mn2 C23 90.5(3) . .
C22 Mn2 C23 178.8(3) . .
C24 Mn2 Mn1 93.66(2) . .
C21 Mn2 Mn1 86.35(2) . .
C22 Mn2 Mn1 90.42(2) . .
C23 Mn2 Mn1 89.50(2) . .
C24 Mn2 Mn1 93.66(2) . 4_565
C21 Mn2 Mn1 86.35(2) . 4_565
C22 Mn2 Mn1 90.42(2) . 4_565
C23 Mn2 Mn1 89.50(2) . 4_565
Mn1 Mn2 Mn1 172.62(4) . 4_565
O21 C21 Mn2 179.5(8) . .
O22 C22 Mn2 179.9(6) . .
O23 C23 Mn2 179.4(6) . .
O24 C24 Mn2 179.7(5) . .
C24 O24 Yb1 176.5(4) . .
C32 Mn3 C32 180.000(1) 3_666 .
C32 Mn3 C31 90.4(2) 3_666 .
C32 Mn3 C31 89.6(2) . .
C32 Mn3 C31 89.6(2) 3_666 3_666
C32 Mn3 C31 90.4(2) . 3_666
C31 Mn3 C31 180.0(3) . 3_666
C32 Mn3 Mn4 88.64(14) 3_666 .
C32 Mn3 Mn4 91.36(14) . .
C31 Mn3 Mn4 90.60(14) . .
C31 Mn3 Mn4 89.40(14) 3_666 .
C32 Mn3 Mn4 91.36(14) 3_666 3_666
C32 Mn3 Mn4 88.64(14) . 3_666
C31 Mn3 Mn4 89.40(14) . 3_666
C31 Mn3 Mn4 90.60(14) 3_666 3_666
Mn4 Mn3 Mn4 180.00(2) . 3_666
O31 C31 Mn3 179.2(4) . .
O32 C32 Mn3 179.6(5) . .
C45 Mn4 C41 95.4(2) . .
C45 Mn4 C43 95.9(2) . .
C41 Mn4 C43 90.4(2) . .
C45 Mn4 C42 97.6(2) . .
C41 Mn4 C42 166.9(2) . .
C43 Mn4 C42 88.1(2) . .
C45 Mn4 C44 96.3(2) . .
C41 Mn4 C44 90.7(2) . .
C43 Mn4 C44 167.6(2) . .
C42 Mn4 C44 88.1(2) . .
C45 Mn4 Mn3 178.00(15) . .
C41 Mn4 Mn3 83.43(16) . .
C43 Mn4 Mn3 85.76(16) . .
C42 Mn4 Mn3 83.52(15) . .
C44 Mn4 Mn3 82.11(14) . .
O41 C41 Mn4 177.9(5) . .
O42 C42 Mn4 178.8(4) . .
O43 C43 Mn4 177.6(5) . .
O44 C44 Mn4 177.4(4) . .
O45 C45 Mn4 179.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O6 2.369(3) .
Yb1 O6 2.369(3) 4_565
Yb1 O5 2.378(4) .
Yb1 O7 2.382(4) .
Yb1 O8 2.383(4) .
Yb1 O24 2.437(4) .
Yb1 C64' 3.175(17) .
Yb1 C64' 3.175(17) 4_565
O5 C51 1.441(6) .
O5 C51 1.441(6) 4_565
C51 C52 1.468(8) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 C52 1.402(12) 4_565
C52 H52A 0.9900 .
C52 H52B 0.9900 .
O6 C61' 1.306(13) .
O6 C61 1.469(8) .
O6 C64 1.494(10) .
O6 C64' 1.501(16) .
C61 C62 1.489(10) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C64 C63 1.526(13) .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
C63 C62 1.448(13) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C61' C62' 1.568(15) .
C61' H61C 0.9900 .
C61' H61D 0.9900 .
C62' C63' 1.523(16) .
C62' H62C 0.9900 .
C62' H62D 0.9900 .
C63' C64' 1.491(17) .
C63' H63C 0.9900 .
C63' H63D 0.9900 .
C64' H64C 0.9900 .
C64' H64D 0.9900 .
O7 C71 1.465(9) .
O7 C71 1.465(9) 4_565
O7 C74 1.471(9) .
O7 C74 1.471(9) 4_565
C71 C72 1.473(11) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C73 C72 1.478(11) .
C73 C74 1.511(11) .
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
O8 C84 1.425(8) .
O8 C81 1.497(11) .
O8 C81 1.497(11) 4_565
C81 C82 1.439(12) .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
C82 C83 1.444(11) .
C82 H82A 0.9900 .
C82 H82B 0.9900 .
C83 C84 1.480(9) .
C83 H83A 0.9900 .
C83 H83B 0.9900 .
C84 H84A 0.9900 .
C84 H84B 0.9900 .
Mn1 C12 1.801(6) .
Mn1 C14 1.824(5) .
Mn1 C11 1.828(6) .
Mn1 C15 1.834(5) .
Mn1 C13 1.837(5) .
Mn1 Mn2 2.8841(7) .
C11 O11 1.140(6) .
C12 O12 1.147(6) .
C13 O13 1.136(5) .
C14 O14 1.143(5) .
C15 O15 1.148(6) .
Mn2 C24 1.790(6) .
Mn2 C21 1.826(7) .
Mn2 C22 1.829(7) .
Mn2 C23 1.837(6) .
Mn2 Mn1 2.8841(7) 4_565
C21 O21 1.151(8) .
C22 O22 1.145(8) .
C23 O23 1.137(7) .
C24 O24 1.171(7) .
Mn3 C32 1.828(5) 3_666
Mn3 C32 1.828(5) .
Mn3 C31 1.829(5) .
Mn3 C31 1.829(5) 3_666
Mn3 Mn4 2.9023(7) .
Mn3 Mn4 2.9023(7) 3_666
C31 O31 1.148(5) .
C32 O32 1.147(5) .
Mn4 C45 1.810(5) .
Mn4 C41 1.837(5) .
Mn4 C43 1.839(5) .
Mn4 C42 1.842(5) .
Mn4 C44 1.842(5) .
C41 O41 1.144(6) .
C42 O42 1.141(6) .
C43 O43 1.144(6) .
C44 O44 1.141(5) .
C45 O45 1.140(5) .
