# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p100925e
_database_code_depnum_ccdc_archive 'CCDC 1045468'
_audit_update_record             
;
2015-01-25 deposited with the CCDC.
2015-09-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H20 Co1.50 Dy O19'
_chemical_formula_weight         815.26

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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'

_symmetry_cell_setting           MONOCLINIC
_symmetry_space_group_name_H-M   p21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.4576(2)
_cell_length_b                   19.0464(5)
_cell_length_c                   17.9399(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.813(3)
_cell_angle_gamma                90.00
_cell_volume                     2451.76(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    1085
_cell_measurement_theta_min      2.5105
_cell_measurement_theta_max      28.7933

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.209
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1594
_exptl_absorpt_coefficient_mu    4.124
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6832
_exptl_absorpt_correction_T_max  0.8204
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_standards_number         3908
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8397
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_sigmaI/netI    0.0614
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.44
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4266
_reflns_number_gt                3385
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0314P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4266
_refine_ls_number_parameters     376
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0330
_refine_ls_wR_factor_ref         0.0702
_refine_ls_wR_factor_gt          0.0672
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_restrained_S_all      0.947
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Dy1 Dy 0.17337(3) 0.310249(12) 0.637189(14) 0.00775(8) Uani 1 1 d . . .
Co1 Co 0.36068(9) 0.13972(3) 0.71781(4) 0.00732(16) Uani 1 1 d . . .
Co2 Co 0.5000 0.5000 0.5000 0.0061(2) Uani 1 2 d S . .
C1 C 0.3801(7) 0.3744(2) 0.8293(3) 0.0075(11) Uani 1 1 d U . .
C2 C 0.3809(7) 0.3048(2) 0.8557(3) 0.0066(11) Uani 1 1 d U . .
C3 C 0.3653(6) 0.2945(3) 0.9298(3) 0.0075(11) Uani 1 1 d . . .
H3 H 0.3615 0.2487 0.9473 0.009 Uiso 1 1 calc R . .
C4 C 0.3550(7) 0.3486(2) 0.9790(3) 0.0072(11) Uani 1 1 d U . .
C5 C 0.3630(7) 0.4171(3) 0.9527(3) 0.0115(12) Uani 1 1 d . . .
H5 H 0.3612 0.4545 0.9858 0.014 Uiso 1 1 calc R . .
C6 C 0.3734(7) 0.4303(3) 0.8789(3) 0.0131(12) Uani 1 1 d . . .
H6 H 0.3760 0.4763 0.8620 0.016 Uiso 1 1 calc R . .
C7 C 0.4622(7) 0.4447(2) 0.7316(3) 0.0102(11) Uani 1 1 d . . .
H7A H 0.5830 0.4525 0.7682 0.012 Uiso 1 1 calc R . .
H7B H 0.3850 0.4856 0.7320 0.012 Uiso 1 1 calc R . .
C8 C 0.4845(7) 0.4331(2) 0.6514(3) 0.0072(11) Uani 1 1 d U . .
C9 C 0.3937(7) 0.2427(3) 0.8083(3) 0.0088(11) Uani 1 1 d . . .
C10 C 0.3419(7) 0.3312(3) 1.0581(3) 0.0068(11) Uani 1 1 d . . .
C11 C -0.1279(7) 0.2277(2) 0.4836(3) 0.0062(11) Uani 1 1 d U . .
C12 C -0.0931(7) 0.2748(2) 0.4288(3) 0.0066(11) Uani 1 1 d U . .
C13 C -0.0791(7) 0.2497(2) 0.3591(3) 0.0088(11) Uani 1 1 d U . .
H13 H -0.0583 0.2812 0.3227 0.011 Uiso 1 1 calc R . .
C14 C -0.0951(7) 0.1786(2) 0.3412(3) 0.0089(11) Uani 1 1 d U . .
C15 C -0.1297(7) 0.1320(3) 0.3960(3) 0.0105(12) Uani 1 1 d . . .
H15A H -0.1415 0.0842 0.3849 0.013 Uiso 1 1 calc R . .
C16 C -0.1468(7) 0.1564(3) 0.4670(3) 0.0108(11) Uani 1 1 d . . .
H16A H -0.1707 0.1251 0.5029 0.013 Uiso 1 1 calc R . .
C17 C -0.2200(7) 0.2121(3) 0.6009(3) 0.0099(11) Uani 1 1 d . . .
H17A H -0.3164 0.1830 0.5680 0.012 Uiso 1 1 calc R . .
H17B H -0.2768 0.2406 0.6331 0.012 Uiso 1 1 calc R . .
C18 C -0.0694(7) 0.1656(3) 0.6521(3) 0.0100(12) Uani 1 1 d U . .
C19 C -0.0563(7) 0.3508(3) 0.4495(3) 0.0099(12) Uani 1 1 d . . .
C20 C -0.0634(7) 0.1501(3) 0.2683(3) 0.0108(12) Uani 1 1 d . . .
O1 O 0.3761(5) 0.38306(16) 0.75305(19) 0.0090(8) Uani 1 1 d U . .
O2 O 0.5593(5) 0.48123(16) 0.62255(19) 0.0089(8) Uani 1 1 d U . .
O3 O 0.4207(5) 0.37634(16) 0.61632(19) 0.0086(8) Uani 1 1 d . . .
O4 O 0.3969(4) 0.24835(15) 0.73736(19) 0.0075(8) Uani 1 1 d . . .
O5 O 0.3941(5) 0.18249(17) 0.8363(2) 0.0140(8) Uani 1 1 d . . .
O6 O 0.3091(4) 0.26721(16) 1.07050(19) 0.0071(7) Uani 1 1 d . . .
O7 O 0.3710(5) 0.37963(17) 1.1084(2) 0.0097(8) Uani 1 1 d . . .
O8 O -0.1405(5) 0.25699(17) 0.55349(19) 0.0098(8) Uani 1 1 d . . .
O9 O -0.1179(5) 0.10988(18) 0.6790(2) 0.0182(9) Uani 1 1 d . . .
O10 O 0.0947(4) 0.18612(16) 0.66180(19) 0.0076(7) Uani 1 1 d . . .
O11 O 0.0700(5) 0.36390(17) 0.51144(19) 0.0100(8) Uani 1 1 d . . .
O12 O -0.1422(5) 0.39799(17) 0.4046(2) 0.0117(8) Uani 1 1 d U . .
O13 O 0.0060(5) 0.19212(16) 0.22775(19) 0.0102(8) Uani 1 1 d . . .
O14 O -0.0988(6) 0.08735(18) 0.2528(2) 0.0210(9) Uani 1 1 d . . .
O15 O 0.2144(4) 0.50013(16) 0.49705(18) 0.0082(8) Uani 1 1 d . . .
H15C H 0.1748 0.4592 0.5023 0.010 Uiso 1 1 d R . .
H15D H 0.1894 0.5286 0.5286 0.010 Uiso 1 1 d R . .
O16 O 0.4938(5) 0.39370(17) 0.4771(2) 0.0125(8) Uani 1 1 d U . .
H16C H 0.4625 0.3771 0.5150 0.015 Uiso 1 1 d R . .
H16D H 0.4617 0.3681 0.4374 0.015 Uiso 1 1 d R . .
O17 O 0.0456(5) 0.42643(18) 0.6385(2) 0.0165(9) Uani 1 1 d . . .
H17C H -0.0237 0.4443 0.5968 0.020 Uiso 1 1 d R . .
H17D H -0.0113 0.4275 0.6742 0.020 Uiso 1 1 d R . .
O18 O 0.6287(5) 0.10731(16) 0.7591(2) 0.0116(8) Uani 1 1 d . . .
H18A H 0.6945 0.1112 0.8050 0.014 Uiso 1 1 d R . .
H18B H 0.6909 0.1038 0.7266 0.014 Uiso 1 1 d R . .
O19 O 0.2258(5) 0.05729(17) 0.7454(2) 0.0142(8) Uani 1 1 d . . .
H19A H 0.2548 0.0371 0.7890 0.017 Uiso 1 1 d R . .
H19B H 0.1098 0.0651 0.7299 0.017 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O6 2.300(3) 4_565 ?
Dy1 O13 2.303(3) 4_566 ?
Dy1 O3 2.346(3) . ?
Dy1 O4 2.401(3) . ?
Dy1 O11 2.404(3) . ?
Dy1 O17 2.412(3) . ?
Dy1 O10 2.504(3) . ?
Dy1 O1 2.611(3) . ?
Dy1 O8 2.617(3) . ?
Co1 O19 1.998(3) . ?
Co1 O7 2.019(3) 4_565 ?
Co1 O18 2.029(3) . ?
Co1 O4 2.104(3) . ?
Co1 O10 2.154(3) . ?
Co1 O5 2.226(4) . ?
Co2 O16 2.064(3) . ?
Co2 O16 2.064(3) 3_666 ?
Co2 O15 2.116(3) . ?
Co2 O15 2.116(3) 3_666 ?
Co2 O2 2.151(3) 3_666 ?
Co2 O2 2.151(3) . ?
C1 O1 1.370(6) . ?
C1 C6 1.398(7) . ?
C1 C2 1.407(7) . ?
C2 C3 1.381(7) . ?
C2 C9 1.474(7) . ?
C3 C4 1.373(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.394(7) . ?
C4 C10 1.486(7) . ?
C5 C6 1.369(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 O1 1.440(5) . ?
C7 C8 1.508(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O2 1.256(6) . ?
C8 O3 1.277(6) . ?
C9 O5 1.251(6) . ?
C9 O4 1.285(6) . ?
C10 O7 1.267(6) . ?
C10 O6 1.275(6) . ?
C11 C16 1.391(7) . ?
C11 O8 1.398(6) . ?
C11 C12 1.406(7) . ?
C12 C13 1.369(7) . ?
C12 C19 1.502(7) . ?
C13 C14 1.390(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.400(7) . ?
C14 C20 1.493(7) . ?
C15 C16 1.393(7) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 O8 1.442(6) . ?
C17 C18 1.526(7) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 O10 1.251(6) . ?
C18 O9 1.259(6) . ?
C19 O12 1.258(6) . ?
C19 O11 1.271(6) . ?
C20 O14 1.240(6) . ?
C20 O13 1.281(6) . ?
O6 Dy1 2.300(3) 4_566 ?
O7 Co1 2.019(3) 4_566 ?
O13 Dy1 2.303(3) 4_565 ?
O15 H15C 0.8483 . ?
O15 H15D 0.8408 . ?
O16 H16C 0.8400 . ?
O16 H16D 0.8415 . ?
O17 H17C 0.8563 . ?
O17 H17D 0.8602 . ?
O18 H18A 0.8398 . ?
O18 H18B 0.8401 . ?
O19 H19A 0.8455 . ?
O19 H19B 0.8468 . ?

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
_geom_angle_publ_flag
O6 Dy1 O13 138.94(11) 4_565 4_566 ?
O6 Dy1 O3 77.56(11) 4_565 . ?
O13 Dy1 O3 136.38(11) 4_566 . ?
O6 Dy1 O4 76.13(11) 4_565 . ?
O13 Dy1 O4 82.05(11) 4_566 . ?
O3 Dy1 O4 88.11(11) . . ?
O6 Dy1 O11 81.87(11) 4_565 . ?
O13 Dy1 O11 124.99(12) 4_566 . ?
O3 Dy1 O11 71.77(11) . . ?
O4 Dy1 O11 152.95(12) . . ?
O6 Dy1 O17 145.53(12) 4_565 . ?
O13 Dy1 O17 73.72(11) 4_566 . ?
O3 Dy1 O17 80.74(11) . . ?
O4 Dy1 O17 129.69(11) . . ?
O11 Dy1 O17 65.97(11) . . ?
O6 Dy1 O10 69.12(11) 4_565 . ?
O13 Dy1 O10 70.06(11) 4_566 . ?
O3 Dy1 O10 140.08(11) . . ?
O4 Dy1 O10 63.43(10) . . ?
O11 Dy1 O10 122.42(11) . . ?
O17 Dy1 O10 138.80(12) . . ?
O6 Dy1 O1 120.88(11) 4_565 . ?
O13 Dy1 O1 75.91(11) 4_566 . ?
O3 Dy1 O1 62.10(11) . . ?
O4 Dy1 O1 62.07(10) . . ?
O11 Dy1 O1 119.30(11) . . ?
O17 Dy1 O1 69.48(11) . . ?
O10 Dy1 O1 118.28(10) . . ?
O6 Dy1 O8 84.52(11) 4_565 . ?
O13 Dy1 O8 79.93(11) 4_566 . ?
O3 Dy1 O8 137.37(11) . . ?
O4 Dy1 O8 124.69(11) . . ?
O11 Dy1 O8 67.57(11) . . ?
O17 Dy1 O8 93.87(11) . . ?
O10 Dy1 O8 61.26(10) . . ?
O1 Dy1 O8 153.66(10) . . ?
O19 Co1 O7 104.61(14) . 4_565 ?
O19 Co1 O18 100.55(14) . . ?
O7 Co1 O18 90.25(14) 4_565 . ?
O19 Co1 O4 141.45(14) . . ?
O7 Co1 O4 107.72(13) 4_565 . ?
O18 Co1 O4 99.75(13) . . ?
O19 Co1 O10 88.63(13) . . ?
O7 Co1 O10 84.01(13) 4_565 . ?
O18 Co1 O10 170.18(14) . . ?
O4 Co1 O10 74.60(12) . . ?
O19 Co1 O5 89.10(14) . . ?
O7 Co1 O5 166.18(14) 4_565 . ?
O18 Co1 O5 85.42(14) . . ?
O4 Co1 O5 60.33(12) . . ?
O10 Co1 O5 98.31(13) . . ?
O16 Co2 O16 180.000(1) . 3_666 ?
O16 Co2 O15 91.63(12) . . ?
O16 Co2 O15 88.37(12) 3_666 . ?
O16 Co2 O15 88.37(12) . 3_666 ?
O16 Co2 O15 91.63(12) 3_666 3_666 ?
O15 Co2 O15 180.00(17) . 3_666 ?
O16 Co2 O2 88.40(13) . 3_666 ?
O16 Co2 O2 91.60(13) 3_666 3_666 ?
O15 Co2 O2 92.80(12) . 3_666 ?
O15 Co2 O2 87.20(12) 3_666 3_666 ?
O16 Co2 O2 91.60(13) . . ?
O16 Co2 O2 88.40(13) 3_666 . ?
O15 Co2 O2 87.20(12) . . ?
O15 Co2 O2 92.80(12) 3_666 . ?
O2 Co2 O2 180.000(1) 3_666 . ?
O1 C1 C6 123.3(5) . . ?
O1 C1 C2 116.5(4) . . ?
C6 C1 C2 120.0(5) . . ?
C3 C2 C1 117.7(5) . . ?
C3 C2 C9 118.5(4) . . ?
C1 C2 C9 123.9(5) . . ?
C4 C3 C2 123.2(5) . . ?
C4 C3 H3 118.4 . . ?
C2 C3 H3 118.4 . . ?
C3 C4 C5 118.0(5) . . ?
C3 C4 C10 118.4(4) . . ?
C5 C4 C10 123.6(5) . . ?
C6 C5 C4 121.2(5) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C1 119.8(5) . . ?
C5 C6 H6 120.1 . . ?
C1 C6 H6 120.1 . . ?
O1 C7 C8 108.0(4) . . ?
O1 C7 H7A 110.1 . . ?
C8 C7 H7A 110.1 . . ?
O1 C7 H7B 110.1 . . ?
C8 C7 H7B 110.1 . . ?
H7A C7 H7B 108.4 . . ?
O2 C8 O3 124.2(5) . . ?
O2 C8 C7 117.6(4) . . ?
O3 C8 C7 118.1(4) . . ?
O5 C9 O4 118.4(4) . . ?
O5 C9 C2 119.8(5) . . ?
O4 C9 C2 121.7(4) . . ?
O7 C10 O6 125.1(5) . . ?
O7 C10 C4 118.3(4) . . ?
O6 C10 C4 116.5(4) . . ?
C16 C11 O8 123.7(4) . . ?
C16 C11 C12 120.0(5) . . ?
O8 C11 C12 116.3(4) . . ?
C13 C12 C11 119.4(4) . . ?
C13 C12 C19 120.5(4) . . ?
C11 C12 C19 119.9(4) . . ?
C12 C13 C14 121.9(5) . . ?
C12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C13 C14 C15 118.4(5) . . ?
C13 C14 C20 122.2(5) . . ?
C15 C14 C20 119.3(4) . . ?
C16 C15 C14 120.7(5) . . ?
C16 C15 H15A 119.6 . . ?
C14 C15 H15A 119.6 . . ?
C11 C16 C15 119.6(5) . . ?
C11 C16 H16A 120.2 . . ?
C15 C16 H16A 120.2 . . ?
O8 C17 C18 110.2(4) . . ?
O8 C17 H17A 109.6 . . ?
C18 C17 H17A 109.6 . . ?
O8 C17 H17B 109.6 . . ?
C18 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
O10 C18 O9 125.6(5) . . ?
O10 C18 C17 115.7(4) . . ?
O9 C18 C17 118.6(4) . . ?
O12 C19 O11 123.1(5) . . ?
O12 C19 C12 120.2(4) . . ?
O11 C19 C12 116.5(4) . . ?
O14 C20 O13 124.7(5) . . ?
O14 C20 C14 118.2(5) . . ?
O13 C20 C14 117.1(4) . . ?
C1 O1 C7 118.4(4) . . ?
C1 O1 Dy1 125.5(3) . . ?
C7 O1 Dy1 115.1(3) . . ?
C8 O2 Co2 123.5(3) . . ?
C8 O3 Dy1 125.4(3) . . ?
C9 O4 Co1 92.7(3) . . ?
C9 O4 Dy1 125.9(3) . . ?
Co1 O4 Dy1 109.07(13) . . ?
C9 O5 Co1 88.0(3) . . ?
C10 O6 Dy1 146.8(3) . 4_566 ?
C10 O7 Co1 121.0(3) . 4_566 ?
C11 O8 C17 115.6(4) . . ?
C11 O8 Dy1 113.6(3) . . ?
C17 O8 Dy1 109.8(3) . . ?
C18 O10 Co1 132.7(3) . . ?
C18 O10 Dy1 122.6(3) . . ?
Co1 O10 Dy1 103.85(12) . . ?
C19 O11 Dy1 135.2(3) . . ?
C20 O13 Dy1 140.2(3) . 4_565 ?
Co2 O15 H15C 112.0 . . ?
Co2 O15 H15D 112.9 . . ?
H15C O15 H15D 111.8 . . ?
Co2 O16 H16C 101.7 . . ?
Co2 O16 H16D 136.3 . . ?
H16C O16 H16D 112.9 . . ?
Dy1 O17 H17C 120.2 . . ?
Dy1 O17 H17D 107.8 . . ?
H17C O17 H17D 109.8 . . ?
Co1 O18 H18A 125.9 . . ?
Co1 O18 H18B 116.6 . . ?
H18A O18 H18B 113.6 . . ?
Co1 O19 H19A 124.6 . . ?
Co1 O19 H19B 108.6 . . ?
H19A O19 H19B 111.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 -173.4(4) . . . . ?
C6 C1 C2 C3 3.2(7) . . . . ?
O1 C1 C2 C9 5.4(7) . . . . ?
C6 C1 C2 C9 -178.0(5) . . . . ?
C1 C2 C3 C4 -2.0(7) . . . . ?
C9 C2 C3 C4 179.1(5) . . . . ?
C2 C3 C4 C5 -0.8(7) . . . . ?
C2 C3 C4 C10 -178.9(4) . . . . ?
C3 C4 C5 C6 2.5(8) . . . . ?
C10 C4 C5 C6 -179.4(5) . . . . ?
C4 C5 C6 C1 -1.4(8) . . . . ?
O1 C1 C6 C5 174.8(5) . . . . ?
C2 C1 C6 C5 -1.6(8) . . . . ?
O1 C7 C8 O2 -179.3(4) . . . . ?
O1 C7 C8 O3 3.0(6) . . . . ?
C3 C2 C9 O5 -1.5(7) . . . . ?
C1 C2 C9 O5 179.7(5) . . . . ?
C3 C2 C9 O4 175.7(4) . . . . ?
C1 C2 C9 O4 -3.1(8) . . . . ?
C3 C4 C10 O7 165.6(4) . . . . ?
C5 C4 C10 O7 -12.4(7) . . . . ?
C3 C4 C10 O6 -11.6(7) . . . . ?
C5 C4 C10 O6 170.3(5) . . . . ?
C16 C11 C12 C13 0.3(7) . . . . ?
O8 C11 C12 C13 180.0(4) . . . . ?
C16 C11 C12 C19 -174.7(4) . . . . ?
O8 C11 C12 C19 5.0(7) . . . . ?
C11 C12 C13 C14 -1.1(7) . . . . ?
C19 C12 C13 C14 173.9(5) . . . . ?
C12 C13 C14 C15 1.1(7) . . . . ?
C12 C13 C14 C20 -174.5(5) . . . . ?
C13 C14 C15 C16 -0.3(7) . . . . ?
C20 C14 C15 C16 175.4(5) . . . . ?
O8 C11 C16 C15 -179.2(4) . . . . ?
C12 C11 C16 C15 0.4(7) . . . . ?
C14 C15 C16 C11 -0.4(7) . . . . ?
O8 C17 C18 O10 19.5(6) . . . . ?
O8 C17 C18 O9 -158.7(4) . . . . ?
C13 C12 C19 O12 53.9(7) . . . . ?
C11 C12 C19 O12 -131.1(5) . . . . ?
C13 C12 C19 O11 -122.8(5) . . . . ?
C11 C12 C19 O11 52.2(7) . . . . ?
C13 C14 C20 O14 -172.8(5) . . . . ?
C15 C14 C20 O14 11.6(7) . . . . ?
C13 C14 C20 O13 10.0(7) . . . . ?
C15 C14 C20 O13 -165.6(4) . . . . ?
C6 C1 O1 C7 33.1(7) . . . . ?
C2 C1 O1 C7 -150.4(4) . . . . ?
C6 C1 O1 Dy1 -134.8(4) . . . . ?
C2 C1 O1 Dy1 41.7(6) . . . . ?
C8 C7 O1 C1 165.3(4) . . . . ?
C8 C7 O1 Dy1 -25.5(4) . . . . ?
O6 Dy1 O1 C1 -111.0(3) 4_565 . . . ?
O13 Dy1 O1 C1 28.1(3) 4_566 . . . ?
O3 Dy1 O1 C1 -164.1(4) . . . . ?
O4 Dy1 O1 C1 -60.3(3) . . . . ?
O11 Dy1 O1 C1 150.5(3) . . . . ?
O17 Dy1 O1 C1 105.7(4) . . . . ?
O10 Dy1 O1 C1 -29.6(4) . . . . ?
O8 Dy1 O1 C1 52.1(4) . . . . ?
O6 Dy1 O1 C7 80.7(3) 4_565 . . . ?
O13 Dy1 O1 C7 -140.2(3) 4_566 . . . ?
O3 Dy1 O1 C7 27.7(3) . . . . ?
O4 Dy1 O1 C7 131.5(3) . . . . ?
O11 Dy1 O1 C7 -17.7(3) . . . . ?
O17 Dy1 O1 C7 -62.6(3) . . . . ?
O10 Dy1 O1 C7 162.1(3) . . . . ?
O8 Dy1 O1 C7 -116.1(3) . . . . ?
O3 C8 O2 Co2 26.1(6) . . . . ?
C7 C8 O2 Co2 -151.5(3) . . . . ?
O16 Co2 O2 C8 -40.1(4) . . . . ?
O16 Co2 O2 C8 139.9(4) 3_666 . . . ?
O15 Co2 O2 C8 51.4(4) . . . . ?
O15 Co2 O2 C8 -128.6(4) 3_666 . . . ?
O2 Co2 O2 C8 52(100) 3_666 . . . ?
O2 C8 O3 Dy1 -150.9(4) . . . . ?
C7 C8 O3 Dy1 26.7(6) . . . . ?
O6 Dy1 O3 C8 -164.5(4) 4_565 . . . ?
O13 Dy1 O3 C8 -11.9(4) 4_566 . . . ?
O4 Dy1 O3 C8 -88.3(4) . . . . ?
O11 Dy1 O3 C8 110.0(4) . . . . ?
O17 Dy1 O3 C8 42.4(4) . . . . ?
O10 Dy1 O3 C8 -130.9(3) . . . . ?
O1 Dy1 O3 C8 -29.2(3) . . . . ?
O8 Dy1 O3 C8 128.0(3) . . . . ?
O5 C9 O4 Co1 7.9(5) . . . . ?
C2 C9 O4 Co1 -169.3(4) . . . . ?
O5 C9 O4 Dy1 123.8(4) . . . . ?
C2 C9 O4 Dy1 -53.3(6) . . . . ?
O19 Co1 O4 C9 37.5(4) . . . . ?
O7 Co1 O4 C9 -176.9(3) 4_565 . . . ?
O18 Co1 O4 C9 -83.5(3) . . . . ?
O10 Co1 O4 C9 104.8(3) . . . . ?
O5 Co1 O4 C9 -4.5(3) . . . . ?
O19 Co1 O4 Dy1 -92.1(2) . . . . ?
O7 Co1 O4 Dy1 53.56(17) 4_565 . . . ?
O18 Co1 O4 Dy1 146.97(14) . . . . ?
O10 Co1 O4 Dy1 -24.80(13) . . . . ?
O5 Co1 O4 Dy1 -134.04(19) . . . . ?
O6 Dy1 O4 C9 -158.6(4) 4_565 . . . ?
O13 Dy1 O4 C9 -13.6(4) 4_566 . . . ?
O3 Dy1 O4 C9 123.8(4) . . . . ?
O11 Dy1 O4 C9 165.0(3) . . . . ?
O17 Dy1 O4 C9 47.5(4) . . . . ?
O10 Dy1 O4 C9 -85.2(4) . . . . ?
O1 Dy1 O4 C9 64.6(4) . . . . ?
O8 Dy1 O4 C9 -85.5(4) . . . . ?
O6 Dy1 O4 Co1 -50.44(14) 4_565 . . . ?
O13 Dy1 O4 Co1 94.52(15) 4_566 . . . ?
O3 Dy1 O4 Co1 -128.09(15) . . . . ?
O11 Dy1 O4 Co1 -86.9(3) . . . . ?
O17 Dy1 O4 Co1 155.59(13) . . . . ?
O10 Dy1 O4 Co1 22.89(13) . . . . ?
O1 Dy1 O4 Co1 172.73(18) . . . . ?
O8 Dy1 O4 Co1 22.7(2) . . . . ?
O4 C9 O5 Co1 -7.4(4) . . . . ?
C2 C9 O5 Co1 169.8(4) . . . . ?
O19 Co1 O5 C9 -150.8(3) . . . . ?
O7 Co1 O5 C9 36.4(7) 4_565 . . . ?
O18 Co1 O5 C9 108.5(3) . . . . ?
O4 Co1 O5 C9 4.6(3) . . . . ?
O10 Co1 O5 C9 -62.3(3) . . . . ?
O7 C10 O6 Dy1 34.2(9) . . . 4_566 ?
C4 C10 O6 Dy1 -148.8(4) . . . 4_566 ?
O6 C10 O7 Co1 -1.9(6) . . . 4_566 ?
C4 C10 O7 Co1 -178.9(3) . . . 4_566 ?
C16 C11 O8 C17 -14.9(6) . . . . ?
C12 C11 O8 C17 165.5(4) . . . . ?
C16 C11 O8 Dy1 113.4(4) . . . . ?
C12 C11 O8 Dy1 -66.3(4) . . . . ?
C18 C17 O8 C11 86.0(5) . . . . ?
C18 C17 O8 Dy1 -44.1(4) . . . . ?
O6 Dy1 O8 C11 -24.5(3) 4_565 . . . ?
O13 Dy1 O8 C11 -166.3(3) 4_566 . . . ?
O3 Dy1 O8 C11 40.5(3) . . . . ?
O4 Dy1 O8 C11 -93.4(3) . . . . ?
O11 Dy1 O8 C11 59.0(3) . . . . ?
O17 Dy1 O8 C11 121.0(3) . . . . ?
O10 Dy1 O8 C11 -93.6(3) . . . . ?
O1 Dy1 O8 C11 170.0(3) . . . . ?
O6 Dy1 O8 C17 106.7(3) 4_565 . . . ?
O13 Dy1 O8 C17 -35.2(3) 4_566 . . . ?
O3 Dy1 O8 C17 171.6(3) . . . . ?
O4 Dy1 O8 C17 37.8(3) . . . . ?
O11 Dy1 O8 C17 -169.9(3) . . . . ?
O17 Dy1 O8 C17 -107.9(3) . . . . ?
O10 Dy1 O8 C17 37.5(3) . . . . ?
O1 Dy1 O8 C17 -58.8(4) . . . . ?
O9 C18 O10 Co1 4.3(8) . . . . ?
C17 C18 O10 Co1 -173.8(3) . . . . ?
O9 C18 O10 Dy1 -163.1(4) . . . . ?
C17 C18 O10 Dy1 18.9(6) . . . . ?
O19 Co1 O10 C18 -1.1(5) . . . . ?
O7 Co1 O10 C18 103.7(5) 4_565 . . . ?
O18 Co1 O10 C18 158.2(7) . . . . ?
O4 Co1 O10 C18 -146.0(5) . . . . ?
O5 Co1 O10 C18 -90.0(5) . . . . ?
O19 Co1 O10 Dy1 167.95(14) . . . . ?
O7 Co1 O10 Dy1 -87.21(14) 4_565 . . . ?
O18 Co1 O10 Dy1 -32.7(8) . . . . ?
O4 Co1 O10 Dy1 23.05(12) . . . . ?
O5 Co1 O10 Dy1 79.06(14) . . . . ?
O6 Dy1 O10 C18 -126.7(4) 4_565 . . . ?
O13 Dy1 O10 C18 57.8(4) 4_566 . . . ?
O3 Dy1 O10 C18 -162.1(3) . . . . ?
O4 Dy1 O10 C18 148.8(4) . . . . ?
O11 Dy1 O10 C18 -61.7(4) . . . . ?
O17 Dy1 O10 C18 27.9(5) . . . . ?
O1 Dy1 O10 C18 118.5(4) . . . . ?
O8 Dy1 O10 C18 -31.4(4) . . . . ?
O6 Dy1 O10 Co1 62.78(13) 4_565 . . . ?
O13 Dy1 O10 Co1 -112.67(15) 4_566 . . . ?
O3 Dy1 O10 Co1 27.4(2) . . . . ?
O4 Dy1 O10 Co1 -21.70(12) . . . . ?
O11 Dy1 O10 Co1 127.84(13) . . . . ?
O17 Dy1 O10 Co1 -142.55(14) . . . . ?
O1 Dy1 O10 Co1 -51.97(17) . . . . ?
O8 Dy1 O10 Co1 158.08(17) . . . . ?
O12 C19 O11 Dy1 146.6(4) . . . . ?
C12 C19 O11 Dy1 -36.8(7) . . . . ?
O6 Dy1 O11 C19 77.3(5) 4_565 . . . ?
O13 Dy1 O11 C19 -68.8(5) 4_566 . . . ?
O3 Dy1 O11 C19 156.8(5) . . . . ?
O4 Dy1 O11 C19 112.9(5) . . . . ?
O17 Dy1 O11 C19 -115.4(5) . . . . ?
O10 Dy1 O11 C19 18.4(5) . . . . ?
O1 Dy1 O11 C19 -161.8(4) . . . . ?
O8 Dy1 O11 C19 -10.1(4) . . . . ?
O14 C20 O13 Dy1 -21.0(9) . . . 4_565 ?
C14 C20 O13 Dy1 156.1(3) . . . 4_565 ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.017
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.154
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p100925d
_database_code_depnum_ccdc_archive 'CCDC 1045469'
_audit_update_record             
;
2015-01-25 deposited with the CCDC.
2015-09-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H20 Co1.50 Eu O19'
_chemical_formula_weight         804.72

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   p21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.4945(2)
_cell_length_b                   19.1024(3)
_cell_length_c                   17.9883(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.917(2)
_cell_angle_gamma                90.00
_cell_volume                     2476.52(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    1085
_cell_measurement_theta_min      2.5105
_cell_measurement_theta_max      28.7933

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.158
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1582
_exptl_absorpt_coefficient_mu    3.598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7149
_exptl_absorpt_correction_T_max  0.8406
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_standards_number         3908
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8732
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.44
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4312
_reflns_number_gt                3416
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0333P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4312
_refine_ls_number_parameters     376
_refine_ls_number_restraints     96
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0331
_refine_ls_wR_factor_ref         0.0710
_refine_ls_wR_factor_gt          0.0679
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_restrained_S_all      0.946
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Eu1 Eu 0.32621(3) 0.810721(11) 0.362440(14) 0.00632(8) Uani 1 1 d . . .
Co1 Co 0.13829(9) 0.63986(3) 0.28226(4) 0.00679(16) Uani 1 1 d . . .
Co2 Co 0.0000 1.0000 0.5000 0.0065(2) Uani 1 2 d S . .
C1 C 0.1146(6) 0.8737(2) 0.1708(3) 0.0091(11) Uani 1 1 d U . .
C2 C 0.1169(6) 0.8053(2) 0.1438(3) 0.0084(10) Uani 1 1 d U . .
C3 C 0.1322(6) 0.7947(2) 0.0697(3) 0.0061(10) Uani 1 1 d U . .
H3 H 0.1360 0.7490 0.0524 0.007 Uiso 1 1 calc R . .
C4 C 0.1420(6) 0.8486(2) 0.0208(3) 0.0074(10) Uani 1 1 d U . .
C5 C 0.1334(6) 0.9173(2) 0.0474(3) 0.0103(11) Uani 1 1 d . . .
H5 H 0.1354 0.9548 0.0147 0.012 Uiso 1 1 calc R . .
C6 C 0.1221(6) 0.9298(2) 0.1216(3) 0.0109(11) Uani 1 1 d . . .
H6 H 0.1194 0.9756 0.1390 0.013 Uiso 1 1 calc R . .
C7 C 0.0344(7) 0.9447(2) 0.2682(3) 0.0107(11) Uani 1 1 d . . .
H7A H -0.0861 0.9528 0.2320 0.013 Uiso 1 1 calc R . .
H7B H 0.1121 0.9852 0.2676 0.013 Uiso 1 1 calc R . .
C8 C 0.0144(6) 0.9332(2) 0.3482(3) 0.0100(11) Uani 1 1 d . . .
C9 C 0.1053(6) 0.7423(2) 0.1904(3) 0.0085(11) Uani 1 1 d U . .
C10 C 0.1565(6) 0.8319(2) -0.0583(3) 0.0067(10) Uani 1 1 d U . .
C11 C 0.6292(6) 0.7275(2) 0.5152(3) 0.0083(11) Uani 1 1 d U . .
C12 C 0.5965(6) 0.7745(2) 0.5705(3) 0.0076(10) Uani 1 1 d U . .
C13 C 0.5796(6) 0.7498(2) 0.6396(3) 0.0090(11) Uani 1 1 d U . .
H13 H 0.5573 0.7811 0.6756 0.011 Uiso 1 1 calc R . .
C14 C 0.5951(6) 0.6784(2) 0.6572(3) 0.0085(11) Uani 1 1 d U . .
C15 C 0.6288(6) 0.6325(2) 0.6023(3) 0.0092(11) Uani 1 1 d . . .
H15A H 0.6398 0.5849 0.6132 0.011 Uiso 1 1 calc R . .
C16 C 0.6463(6) 0.6562(2) 0.5320(3) 0.0096(11) Uani 1 1 d . . .
H16A H 0.6692 0.6249 0.4961 0.012 Uiso 1 1 calc R . .
C17 C 0.7179(6) 0.7118(2) 0.3978(3) 0.0092(11) Uani 1 1 d . . .
H17A H 0.8147 0.6829 0.4302 0.011 Uiso 1 1 calc R . .
H17B H 0.7731 0.7403 0.3653 0.011 Uiso 1 1 calc R . .
C18 C 0.5680(6) 0.6650(2) 0.3469(3) 0.0080(11) Uani 1 1 d U . .
C19 C 0.5591(6) 0.8506(2) 0.5508(3) 0.0074(10) Uani 1 1 d U . .
C20 C 0.5622(6) 0.6497(2) 0.7299(3) 0.0096(11) Uani 1 1 d . . .
O1 O 0.1178(4) 0.88291(15) 0.24672(19) 0.0088(7) Uani 1 1 d U . .
O2 O -0.0611(4) 0.98226(15) 0.37691(19) 0.0095(7) Uani 1 1 d . . .
O3 O 0.0757(4) 0.87744(15) 0.38346(18) 0.0085(7) Uani 1 1 d . . .
O4 O 0.1001(4) 0.74801(14) 0.26147(18) 0.0062(7) Uani 1 1 d U . .
O5 O 0.1045(5) 0.68234(15) 0.16272(19) 0.0128(8) Uani 1 1 d . . .
O6 O 0.1876(4) 0.76880(15) -0.07052(18) 0.0077(7) Uani 1 1 d . . .
O7 O 0.1300(4) 0.88013(16) -0.10756(19) 0.0121(8) Uani 1 1 d . . .
O8 O 0.6415(4) 0.75684(15) 0.44602(18) 0.0089(7) Uani 1 1 d . . .
O9 O 0.6174(5) 0.61066(17) 0.3195(2) 0.0182(9) Uani 1 1 d . . .
O10 O 0.4048(4) 0.68595(15) 0.33802(18) 0.0077(7) Uani 1 1 d . . .
O11 O 0.4319(4) 0.86487(15) 0.48910(18) 0.0095(7) Uani 1 1 d . . .
O12 O 0.6459(4) 0.89692(16) 0.59502(19) 0.0121(8) Uani 1 1 d . . .
O13 O 0.4961(4) 0.69212(14) 0.77104(19) 0.0090(7) Uani 1 1 d . . .
O14 O 0.5980(5) 0.58732(17) 0.7457(2) 0.0215(9) Uani 1 1 d . . .
O15 O 0.2851(4) 0.99967(15) 0.50273(18) 0.0078(7) Uani 1 1 d U . .
H15C H 0.3163 0.9566 0.4950 0.009 Uiso 1 1 d R . .
H15D H 0.3124 1.0286 0.4706 0.009 Uiso 1 1 d R . .
O16 O 0.0052(4) 0.89397(15) 0.5226(2) 0.0134(8) Uani 1 1 d . . .
H16C H 0.0335 0.8737 0.4838 0.016 Uiso 1 1 d R . .
H16D H 0.0423 0.8709 0.5651 0.016 Uiso 1 1 d R . .
O17 O 0.4553(5) 0.92869(16) 0.36044(19) 0.0150(8) Uani 1 1 d . . .
H17C H 0.5196 0.9555 0.3980 0.018 Uiso 1 1 d R . .
H17D H 0.5126 0.9266 0.3230 0.018 Uiso 1 1 d R . .
O18 O -0.1282(4) 0.60694(14) 0.24068(19) 0.0100(7) Uani 1 1 d U . .
H18A H -0.1903 0.6003 0.2734 0.012 Uiso 1 1 d R . .
H18B H -0.1886 0.6131 0.1932 0.012 Uiso 1 1 d R . .
O19 O 0.2735(4) 0.55794(15) 0.25428(19) 0.0130(8) Uani 1 1 d . . .
H19A H 0.2256 0.5348 0.2132 0.016 Uiso 1 1 d R . .
H19B H 0.3928 0.5635 0.2675 0.016 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O13 2.340(3) 4_575 ?
Eu1 O6 2.351(3) 4_576 ?
Eu1 O3 2.384(3) . ?
Eu1 O11 2.429(3) . ?
Eu1 O4 2.432(3) . ?
Eu1 O17 2.456(3) . ?
Eu1 O10 2.522(3) . ?
Eu1 O1 2.625(3) . ?
Eu1 O8 2.637(3) . ?
Eu1 Co1 3.6881(6) . ?
Eu1 H17D 2.8095 . ?
Co1 O19 2.002(3) . ?
Co1 O18 2.031(3) . ?
Co1 O7 2.036(3) 4_576 ?
Co1 O4 2.105(3) . ?
Co1 O10 2.161(3) . ?
Co1 O5 2.247(3) . ?
Co2 O16 2.064(3) . ?
Co2 O16 2.064(3) 3_576 ?
Co2 O15 2.123(3) . ?
Co2 O15 2.123(3) 3_576 ?
Co2 O2 2.161(3) 3_576 ?
Co2 O2 2.161(3) . ?
C1 O1 1.370(6) . ?
C1 C2 1.396(6) . ?
C1 C6 1.401(7) . ?
C2 C3 1.383(6) . ?
C2 C9 1.483(6) . ?
C3 C4 1.369(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.405(6) . ?
C4 C10 1.491(6) . ?
C5 C6 1.381(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 O1 1.436(5) . ?
C7 C8 1.503(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O3 1.260(5) . ?
C8 O2 1.275(5) . ?
C9 O5 1.248(5) . ?
C9 O4 1.294(6) . ?
C10 O7 1.256(5) . ?
C10 O6 1.259(5) . ?
C11 O8 1.391(6) . ?
C11 C16 1.392(6) . ?
C11 C12 1.410(7) . ?
C12 C13 1.367(7) . ?
C12 C19 1.503(6) . ?
C13 C14 1.398(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.395(7) . ?
C14 C20 1.500(7) . ?
C15 C16 1.383(7) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C17 O8 1.447(5) . ?
C17 C18 1.529(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 O9 1.247(5) . ?
C18 O10 1.255(5) . ?
C19 O12 1.247(5) . ?
C19 O11 1.279(5) . ?
C20 O14 1.238(5) . ?
C20 O13 1.284(6) . ?
O6 Eu1 2.351(3) 4_575 ?
O7 Co1 2.036(3) 4_575 ?
O13 Eu1 2.340(3) 4_576 ?
O15 H15C 0.8765 . ?
O15 H15D 0.8647 . ?
O16 H16C 0.8736 . ?
O16 H16D 0.8596 . ?
O17 H17C 0.8786 . ?
O17 H17D 0.8931 . ?
O18 H18A 0.8537 . ?
O18 H18B 0.8572 . ?
O19 H19A 0.8524 . ?
O19 H19B 0.8664 . ?

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
_geom_angle_publ_flag
O13 Eu1 O6 138.37(10) 4_575 4_576 ?
O13 Eu1 O3 136.71(10) 4_575 . ?
O6 Eu1 O3 77.65(10) 4_576 . ?
O13 Eu1 O11 124.66(11) 4_575 . ?
O6 Eu1 O11 82.55(11) 4_576 . ?
O3 Eu1 O11 72.06(10) . . ?
O13 Eu1 O4 82.28(10) 4_575 . ?
O6 Eu1 O4 75.50(10) 4_576 . ?
O3 Eu1 O4 87.94(10) . . ?
O11 Eu1 O4 153.05(11) . . ?
O13 Eu1 O17 73.66(10) 4_575 . ?
O6 Eu1 O17 146.24(11) 4_576 . ?
O3 Eu1 O17 80.93(10) . . ?
O11 Eu1 O17 66.08(11) . . ?
O4 Eu1 O17 129.59(10) . . ?
O13 Eu1 O10 69.98(10) 4_575 . ?
O6 Eu1 O10 68.65(10) 4_576 . ?
O3 Eu1 O10 139.86(10) . . ?
O11 Eu1 O10 122.29(10) . . ?
O4 Eu1 O10 63.43(9) . . ?
O17 Eu1 O10 138.82(11) . . ?
O13 Eu1 O1 77.00(10) 4_575 . ?
O6 Eu1 O1 119.72(10) 4_576 . ?
O3 Eu1 O1 61.43(10) . . ?
O11 Eu1 O1 119.35(9) . . ?
O4 Eu1 O1 61.67(9) . . ?
O17 Eu1 O1 69.97(10) . . ?
O10 Eu1 O1 118.35(10) . . ?
O13 Eu1 O8 79.42(10) 4_575 . ?
O6 Eu1 O8 84.73(10) 4_576 . ?
O3 Eu1 O8 137.72(10) . . ?
O11 Eu1 O8 67.71(10) . . ?
O4 Eu1 O8 124.42(9) . . ?
O17 Eu1 O8 94.10(10) . . ?
O10 Eu1 O8 60.99(9) . . ?
O1 Eu1 O8 154.47(10) . . ?
O13 Eu1 Co1 85.85(7) 4_575 . ?
O6 Eu1 Co1 56.89(7) 4_576 . ?
O3 Eu1 Co1 107.59(7) . . ?
O11 Eu1 Co1 137.32(7) . . ?
O4 Eu1 Co1 32.76(7) . . ?
O17 Eu1 Co1 156.32(8) . . ?
O10 Eu1 Co1 34.72(7) . . ?
O1 Eu1 Co1 94.27(7) . . ?
O8 Eu1 Co1 93.66(6) . . ?
O13 Eu1 H17D 55.7 4_575 . ?
O6 Eu1 H17D 163.4 4_576 . ?
O3 Eu1 H17D 95.0 . . ?
O11 Eu1 H17D 81.1 . . ?
O4 Eu1 H17D 119.5 . . ?
O17 Eu1 H17D 18.0 . . ?
O10 Eu1 H17D 123.0 . . ?
O1 Eu1 H17D 67.3 . . ?
O8 Eu1 H17D 91.2 . . ?
Co1 Eu1 H17D 139.6 . . ?
O19 Co1 O18 100.35(13) . . ?
O19 Co1 O7 104.51(13) . 4_576 ?
O18 Co1 O7 90.63(13) . 4_576 ?
O19 Co1 O4 140.89(13) . . ?
O18 Co1 O4 99.59(12) . . ?
O7 Co1 O4 108.56(13) 4_576 . ?
O19 Co1 O10 88.17(12) . . ?
O18 Co1 O10 170.87(13) . . ?
O7 Co1 O10 84.01(13) 4_576 . ?
O4 Co1 O10 75.28(11) . . ?
O19 Co1 O5 88.49(13) . . ?
O18 Co1 O5 85.30(13) . . ?
O7 Co1 O5 166.89(13) 4_576 . ?
O4 Co1 O5 60.08(11) . . ?
O10 Co1 O5 98.30(12) . . ?
O19 Co1 Eu1 128.67(9) . . ?
O18 Co1 Eu1 130.51(8) . . ?
O7 Co1 Eu1 84.01(9) 4_576 . ?
O4 Co1 Eu1 38.71(8) . . ?
O10 Co1 Eu1 41.66(8) . . ?
O5 Co1 Eu1 89.16(8) . . ?
O16 Co2 O16 180.00(3) . 3_576 ?
O16 Co2 O15 91.61(12) . . ?
O16 Co2 O15 88.39(12) 3_576 . ?
O16 Co2 O15 88.39(12) . 3_576 ?
O16 Co2 O15 91.61(12) 3_576 3_576 ?
O15 Co2 O15 180.00(17) . 3_576 ?
O16 Co2 O2 87.98(12) . 3_576 ?
O16 Co2 O2 92.02(12) 3_576 3_576 ?
O15 Co2 O2 92.73(12) . 3_576 ?
O15 Co2 O2 87.27(12) 3_576 3_576 ?
O16 Co2 O2 92.02(12) . . ?
O16 Co2 O2 87.98(12) 3_576 . ?
O15 Co2 O2 87.27(12) . . ?
O15 Co2 O2 92.73(12) 3_576 . ?
O2 Co2 O2 180.000(1) 3_576 . ?
O1 C1 C2 118.0(4) . . ?
O1 C1 C6 122.6(4) . . ?
C2 C1 C6 119.3(5) . . ?
C3 C2 C1 119.0(4) . . ?
C3 C2 C9 117.3(4) . . ?
C1 C2 C9 123.7(5) . . ?
C4 C3 C2 122.8(4) . . ?
C4 C3 H3 118.6 . . ?
C2 C3 H3 118.6 . . ?
C3 C4 C5 117.9(4) . . ?
C3 C4 C10 118.9(4) . . ?
C5 C4 C10 123.2(4) . . ?
C6 C5 C4 120.7(4) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C1 120.1(4) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
O1 C7 C8 107.6(4) . . ?
O1 C7 H7A 110.2 . . ?
C8 C7 H7A 110.2 . . ?
O1 C7 H7B 110.2 . . ?
C8 C7 H7B 110.2 . . ?
H7A C7 H7B 108.5 . . ?
O3 C8 O2 123.9(5) . . ?
O3 C8 C7 119.1(4) . . ?
O2 C8 C7 116.9(4) . . ?
O5 C9 O4 118.3(4) . . ?
O5 C9 C2 120.9(4) . . ?
O4 C9 C2 120.8(4) . . ?
O7 C10 O6 125.5(4) . . ?
O7 C10 C4 118.6(4) . . ?
O6 C10 C4 115.9(4) . . ?
O8 C11 C16 124.2(4) . . ?
O8 C11 C12 116.2(4) . . ?
C16 C11 C12 119.6(4) . . ?
C13 C12 C11 119.9(4) . . ?
C13 C12 C19 119.3(4) . . ?
C11 C12 C19 120.4(4) . . ?
C12 C13 C14 121.4(4) . . ?
C12 C13 H13 119.3 . . ?
C14 C13 H13 119.3 . . ?
C15 C14 C13 118.2(5) . . ?
C15 C14 C20 119.6(4) . . ?
C13 C14 C20 122.0(4) . . ?
C16 C15 C14 121.5(4) . . ?
C16 C15 H15A 119.2 . . ?
C14 C15 H15A 119.2 . . ?
C15 C16 C11 119.5(4) . . ?
C15 C16 H16A 120.3 . . ?
C11 C16 H16A 120.3 . . ?
O8 C17 C18 111.2(4) . . ?
O8 C17 H17A 109.4 . . ?
C18 C17 H17A 109.4 . . ?
O8 C17 H17B 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
O9 C18 O10 126.8(4) . . ?
O9 C18 C17 118.4(4) . . ?
O10 C18 C17 114.8(4) . . ?
O12 C19 O11 122.4(4) . . ?
O12 C19 C12 120.3(4) . . ?
O11 C19 C12 117.2(4) . . ?
O14 C20 O13 124.7(5) . . ?
O14 C20 C14 118.3(4) . . ?
O13 C20 C14 117.0(4) . . ?
C1 O1 C7 118.9(3) . . ?
C1 O1 Eu1 124.5(3) . . ?
C7 O1 Eu1 115.2(3) . . ?
C8 O2 Co2 122.5(3) . . ?
C8 O3 Eu1 124.5(3) . . ?
C9 O4 Co1 93.0(3) . . ?
C9 O4 Eu1 125.2(3) . . ?
Co1 O4 Eu1 108.53(12) . . ?
C9 O5 Co1 87.9(3) . . ?
C10 O6 Eu1 146.9(3) . 4_575 ?
C10 O7 Co1 120.6(3) . 4_575 ?
C11 O8 C17 115.6(3) . . ?
C11 O8 Eu1 113.5(3) . . ?
C17 O8 Eu1 109.3(2) . . ?
C18 O10 Co1 132.3(3) . . ?
C18 O10 Eu1 123.1(3) . . ?
Co1 O10 Eu1 103.62(12) . . ?
C19 O11 Eu1 134.2(3) . . ?
C20 O13 Eu1 139.5(3) . 4_576 ?
Co2 O15 H15C 108.0 . . ?
Co2 O15 H15D 113.8 . . ?
H15C O15 H15D 111.8 . . ?
Co2 O16 H16C 105.8 . . ?
Co2 O16 H16D 131.5 . . ?
H16C O16 H16D 113.1 . . ?
Eu1 O17 H17C 131.2 . . ?
Eu1 O17 H17D 104.0 . . ?
H17C O17 H17D 109.2 . . ?
Co1 O18 H18A 117.3 . . ?
Co1 O18 H18B 121.4 . . ?
H18A O18 H18B 117.8 . . ?
Co1 O19 H19A 120.2 . . ?
Co1 O19 H19B 113.0 . . ?
H19A O19 H19B 117.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O13 Eu1 Co1 O19 44.03(14) 4_575 . . . ?
O6 Eu1 Co1 O19 -116.35(15) 4_576 . . . ?
O3 Eu1 Co1 O19 -178.02(15) . . . . ?
O11 Eu1 Co1 O19 -95.65(17) . . . . ?
O4 Eu1 Co1 O19 126.20(19) . . . . ?
O17 Eu1 Co1 O19 73.9(2) . . . . ?
O10 Eu1 Co1 O19 -16.11(18) . . . . ?
O1 Eu1 Co1 O19 120.64(14) . . . . ?
O8 Eu1 Co1 O19 -35.08(14) . . . . ?
O13 Eu1 Co1 O18 -126.46(15) 4_575 . . . ?
O6 Eu1 Co1 O18 73.16(16) 4_576 . . . ?
O3 Eu1 Co1 O18 11.50(15) . . . . ?
O11 Eu1 Co1 O18 93.86(17) . . . . ?
O4 Eu1 Co1 O18 -44.28(19) . . . . ?
O17 Eu1 Co1 O18 -96.6(2) . . . . ?
O10 Eu1 Co1 O18 173.41(19) . . . . ?
O1 Eu1 Co1 O18 -49.85(15) . . . . ?
O8 Eu1 Co1 O18 154.44(15) . . . . ?
O13 Eu1 Co1 O7 147.84(12) 4_575 . . 4_576 ?
O6 Eu1 Co1 O7 -12.54(13) 4_576 . . 4_576 ?
O3 Eu1 Co1 O7 -74.20(12) . . . 4_576 ?
O11 Eu1 Co1 O7 8.16(15) . . . 4_576 ?
O4 Eu1 Co1 O7 -129.98(17) . . . 4_576 ?
O17 Eu1 Co1 O7 177.7(2) . . . 4_576 ?
O10 Eu1 Co1 O7 87.71(16) . . . 4_576 ?
O1 Eu1 Co1 O7 -135.55(12) . . . 4_576 ?
O8 Eu1 Co1 O7 68.74(12) . . . 4_576 ?
O13 Eu1 Co1 O4 -82.17(16) 4_575 . . . ?
O6 Eu1 Co1 O4 117.45(16) 4_576 . . . ?
O3 Eu1 Co1 O4 55.78(16) . . . . ?
O11 Eu1 Co1 O4 138.14(18) . . . . ?
O17 Eu1 Co1 O4 -52.3(2) . . . . ?
O10 Eu1 Co1 O4 -142.31(19) . . . . ?
O1 Eu1 Co1 O4 -5.57(15) . . . . ?
O8 Eu1 Co1 O4 -161.28(16) . . . . ?
O13 Eu1 Co1 O10 60.14(15) 4_575 . . . ?
O6 Eu1 Co1 O10 -100.24(15) 4_576 . . . ?
O3 Eu1 Co1 O10 -161.91(15) . . . . ?
O11 Eu1 Co1 O10 -79.55(17) . . . . ?
O4 Eu1 Co1 O10 142.31(19) . . . . ?
O17 Eu1 Co1 O10 90.0(2) . . . . ?
O1 Eu1 Co1 O10 136.74(15) . . . . ?
O8 Eu1 Co1 O10 -18.97(15) . . . . ?
O13 Eu1 Co1 O5 -43.37(12) 4_575 . . . ?
O6 Eu1 Co1 O5 156.25(12) 4_576 . . . ?
O3 Eu1 Co1 O5 94.58(12) . . . . ?
O11 Eu1 Co1 O5 176.95(14) . . . . ?
O4 Eu1 Co1 O5 38.80(16) . . . . ?
O17 Eu1 Co1 O5 -13.5(2) . . . . ?
O10 Eu1 Co1 O5 -103.51(16) . . . . ?
O1 Eu1 Co1 O5 33.24(11) . . . . ?
O8 Eu1 Co1 O5 -122.48(11) . . . . ?
O1 C1 C2 C3 -173.7(4) . . . . ?
C6 C1 C2 C3 2.0(7) . . . . ?
O1 C1 C2 C9 5.8(7) . . . . ?
C6 C1 C2 C9 -178.6(4) . . . . ?
C1 C2 C3 C4 -1.2(7) . . . . ?
C9 C2 C3 C4 179.3(4) . . . . ?
C2 C3 C4 C5 -0.9(7) . . . . ?
C2 C3 C4 C10 -179.4(4) . . . . ?
C3 C4 C5 C6 2.2(7) . . . . ?
C10 C4 C5 C6 -179.3(4) . . . . ?
C4 C5 C6 C1 -1.5(7) . . . . ?
O1 C1 C6 C5 174.8(4) . . . . ?
C2 C1 C6 C5 -0.6(7) . . . . ?
O1 C7 C8 O3 3.0(6) . . . . ?
O1 C7 C8 O2 -178.7(4) . . . . ?
C3 C2 C9 O5 -1.9(7) . . . . ?
C1 C2 C9 O5 178.7(4) . . . . ?
C3 C2 C9 O4 176.5(4) . . . . ?
C1 C2 C9 O4 -2.9(7) . . . . ?
C3 C4 C10 O7 166.6(4) . . . . ?
C5 C4 C10 O7 -11.9(7) . . . . ?
C3 C4 C10 O6 -10.6(6) . . . . ?
C5 C4 C10 O6 170.9(4) . . . . ?
O8 C11 C12 C13 178.9(4) . . . . ?
C16 C11 C12 C13 -0.8(7) . . . . ?
O8 C11 C12 C19 5.8(6) . . . . ?
C16 C11 C12 C19 -174.0(4) . . . . ?
C11 C12 C13 C14 0.4(7) . . . . ?
C19 C12 C13 C14 173.7(4) . . . . ?
C12 C13 C14 C15 0.1(7) . . . . ?
C12 C13 C14 C20 -175.1(4) . . . . ?
C13 C14 C15 C16 -0.2(7) . . . . ?
C20 C14 C15 C16 175.1(4) . . . . ?
C14 C15 C16 C11 -0.3(7) . . . . ?
O8 C11 C16 C15 -179.0(4) . . . . ?
C12 C11 C16 C15 0.7(7) . . . . ?
O8 C17 C18 O9 -159.5(4) . . . . ?
O8 C17 C18 O10 19.7(6) . . . . ?
C13 C12 C19 O12 56.1(6) . . . . ?
C11 C12 C19 O12 -130.7(5) . . . . ?
C13 C12 C19 O11 -121.6(5) . . . . ?
C11 C12 C19 O11 51.6(6) . . . . ?
C15 C14 C20 O14 12.6(7) . . . . ?
C13 C14 C20 O14 -172.3(4) . . . . ?
C15 C14 C20 O13 -166.5(4) . . . . ?
C13 C14 C20 O13 8.6(7) . . . . ?
C2 C1 O1 C7 -152.1(4) . . . . ?
C6 C1 O1 C7 32.4(6) . . . . ?
C2 C1 O1 Eu1 41.8(5) . . . . ?
C6 C1 O1 Eu1 -133.7(4) . . . . ?
C8 C7 O1 C1 166.0(4) . . . . ?
C8 C7 O1 Eu1 -26.6(4) . . . . ?
O13 Eu1 O1 C1 27.6(3) 4_575 . . . ?
O6 Eu1 O1 C1 -111.1(3) 4_576 . . . ?
O3 Eu1 O1 C1 -164.8(4) . . . . ?
O11 Eu1 O1 C1 150.3(3) . . . . ?
O4 Eu1 O1 C1 -60.5(3) . . . . ?
O17 Eu1 O1 C1 104.7(3) . . . . ?
O10 Eu1 O1 C1 -30.8(4) . . . . ?
O8 Eu1 O1 C1 50.6(4) . . . . ?
Co1 Eu1 O1 C1 -57.1(3) . . . . ?
O13 Eu1 O1 C7 -138.9(3) 4_575 . . . ?
O6 Eu1 O1 C7 82.3(3) 4_576 . . . ?
O3 Eu1 O1 C7 28.6(3) . . . . ?
O11 Eu1 O1 C7 -16.3(3) . . . . ?
O4 Eu1 O1 C7 132.9(3) . . . . ?
O17 Eu1 O1 C7 -61.8(3) . . . . ?
O10 Eu1 O1 C7 162.7(3) . . . . ?
O8 Eu1 O1 C7 -115.9(3) . . . . ?
Co1 Eu1 O1 C7 136.3(3) . . . . ?
O3 C8 O2 Co2 26.0(6) . . . . ?
C7 C8 O2 Co2 -152.3(3) . . . . ?
O16 Co2 O2 C8 -39.9(4) . . . . ?
O16 Co2 O2 C8 140.1(4) 3_576 . . . ?
O15 Co2 O2 C8 51.7(3) . . . . ?
O15 Co2 O2 C8 -128.3(3) 3_576 . . . ?
O2 Co2 O2 C8 140(51) 3_576 . . . ?
O2 C8 O3 Eu1 -150.9(3) . . . . ?
C7 C8 O3 Eu1 27.3(6) . . . . ?
O13 Eu1 O3 C8 -12.0(4) 4_575 . . . ?
O6 Eu1 O3 C8 -164.0(3) 4_576 . . . ?
O11 Eu1 O3 C8 109.9(3) . . . . ?
O4 Eu1 O3 C8 -88.4(3) . . . . ?
O17 Eu1 O3 C8 42.2(3) . . . . ?
O10 Eu1 O3 C8 -130.9(3) . . . . ?
O1 Eu1 O3 C8 -29.8(3) . . . . ?
O8 Eu1 O3 C8 128.4(3) . . . . ?
Co1 Eu1 O3 C8 -115.0(3) . . . . ?
O5 C9 O4 Co1 8.8(4) . . . . ?
C2 C9 O4 Co1 -169.6(4) . . . . ?
O5 C9 O4 Eu1 124.1(4) . . . . ?
C2 C9 O4 Eu1 -54.4(5) . . . . ?
O19 Co1 O4 C9 35.9(4) . . . . ?
O18 Co1 O4 C9 -83.8(3) . . . . ?
O7 Co1 O4 C9 -177.8(3) 4_576 . . . ?
O10 Co1 O4 C9 103.9(3) . . . . ?
O5 Co1 O4 C9 -5.0(3) . . . . ?
Eu1 Co1 O4 C9 128.7(3) . . . . ?
O19 Co1 O4 Eu1 -92.8(2) . . . . ?
O18 Co1 O4 Eu1 147.43(14) . . . . ?
O7 Co1 O4 Eu1 53.50(16) 4_576 . . . ?
O10 Co1 O4 Eu1 -24.85(13) . . . . ?
O5 Co1 O4 Eu1 -133.71(17) . . . . ?
O13 Eu1 O4 C9 -13.4(3) 4_575 . . . ?
O6 Eu1 O4 C9 -157.9(3) 4_576 . . . ?
O3 Eu1 O4 C9 124.3(3) . . . . ?
O11 Eu1 O4 C9 165.7(3) . . . . ?
O17 Eu1 O4 C9 47.9(4) . . . . ?
O10 Eu1 O4 C9 -84.8(3) . . . . ?
O1 Eu1 O4 C9 66.0(3) . . . . ?
O8 Eu1 O4 C9 -84.9(3) . . . . ?
Co1 Eu1 O4 C9 -107.7(4) . . . . ?
O13 Eu1 O4 Co1 94.34(14) 4_575 . . . ?
O6 Eu1 O4 Co1 -50.16(13) 4_576 . . . ?
O3 Eu1 O4 Co1 -127.93(14) . . . . ?
O11 Eu1 O4 Co1 -86.6(2) . . . . ?
O17 Eu1 O4 Co1 155.63(12) . . . . ?
O10 Eu1 O4 Co1 22.91(12) . . . . ?
O1 Eu1 O4 Co1 173.69(17) . . . . ?
O8 Eu1 O4 Co1 22.85(19) . . . . ?
O4 C9 O5 Co1 -8.2(4) . . . . ?
C2 C9 O5 Co1 170.2(4) . . . . ?
O19 Co1 O5 C9 -150.5(3) . . . . ?
O18 Co1 O5 C9 109.0(3) . . . . ?
O7 Co1 O5 C9 36.7(7) 4_576 . . . ?
O4 Co1 O5 C9 5.1(3) . . . . ?
O10 Co1 O5 C9 -62.5(3) . . . . ?
Eu1 Co1 O5 C9 -21.7(3) . . . . ?
O7 C10 O6 Eu1 34.3(8) . . . 4_575 ?
C4 C10 O6 Eu1 -148.7(4) . . . 4_575 ?
O6 C10 O7 Co1 -0.8(6) . . . 4_575 ?
C4 C10 O7 Co1 -177.7(3) . . . 4_575 ?
C16 C11 O8 C17 -14.4(6) . . . . ?
C12 C11 O8 C17 165.8(4) . . . . ?
C16 C11 O8 Eu1 112.9(4) . . . . ?
C12 C11 O8 Eu1 -66.8(4) . . . . ?
C18 C17 O8 C11 85.0(5) . . . . ?
C18 C17 O8 Eu1 -44.5(4) . . . . ?
O13 Eu1 O8 C11 -166.0(3) 4_575 . . . ?
O6 Eu1 O8 C11 -24.7(3) 4_576 . . . ?
O3 Eu1 O8 C11 40.4(3) . . . . ?
O11 Eu1 O8 C11 59.4(3) . . . . ?
O4 Eu1 O8 C11 -93.1(3) . . . . ?
O17 Eu1 O8 C11 121.4(3) . . . . ?
O10 Eu1 O8 C11 -93.2(3) . . . . ?
O1 Eu1 O8 C11 171.2(3) . . . . ?
Co1 Eu1 O8 C11 -80.9(3) . . . . ?
O13 Eu1 O8 C17 -35.5(3) 4_575 . . . ?
O6 Eu1 O8 C17 105.9(3) 4_576 . . . ?
O3 Eu1 O8 C17 171.0(2) . . . . ?
O11 Eu1 O8 C17 -170.0(3) . . . . ?
O4 Eu1 O8 C17 37.5(3) . . . . ?
O17 Eu1 O8 C17 -108.0(3) . . . . ?
O10 Eu1 O8 C17 37.4(2) . . . . ?
O1 Eu1 O8 C17 -58.3(3) . . . . ?
Co1 Eu1 O8 C17 49.6(3) . . . . ?
O9 C18 O10 Co1 5.0(8) . . . . ?
C17 C18 O10 Co1 -174.1(3) . . . . ?
O9 C18 O10 Eu1 -161.6(4) . . . . ?
C17 C18 O10 Eu1 19.3(6) . . . . ?
O19 Co1 O10 C18 -1.0(4) . . . . ?
O18 Co1 O10 C18 158.1(7) . . . . ?
O7 Co1 O10 C18 103.8(4) 4_576 . . . ?
O4 Co1 O10 C18 -145.2(4) . . . . ?
O5 Co1 O10 C18 -89.2(4) . . . . ?
Eu1 Co1 O10 C18 -168.5(5) . . . . ?
O19 Co1 O10 Eu1 167.48(14) . . . . ?
O18 Co1 O10 Eu1 -33.4(8) . . . . ?
O7 Co1 O10 Eu1 -87.72(13) 4_576 . . . ?
O4 Co1 O10 Eu1 23.29(12) . . . . ?
O5 Co1 O10 Eu1 79.27(13) . . . . ?
O13 Eu1 O10 C18 56.8(4) 4_575 . . . ?
O6 Eu1 O10 C18 -127.9(4) 4_576 . . . ?
O3 Eu1 O10 C18 -162.8(3) . . . . ?
O11 Eu1 O10 C18 -62.2(4) . . . . ?
O4 Eu1 O10 C18 148.1(4) . . . . ?
O17 Eu1 O10 C18 27.4(4) . . . . ?
O1 Eu1 O10 C18 118.9(3) . . . . ?
O8 Eu1 O10 C18 -31.9(3) . . . . ?
Co1 Eu1 O10 C18 169.8(4) . . . . ?
O13 Eu1 O10 Co1 -113.00(14) 4_575 . . . ?
O6 Eu1 O10 Co1 62.26(13) 4_576 . . . ?
O3 Eu1 O10 Co1 27.3(2) . . . . ?
O11 Eu1 O10 Co1 127.94(12) . . . . ?
O4 Eu1 O10 Co1 -21.71(11) . . . . ?
O17 Eu1 O10 Co1 -142.41(13) . . . . ?
O1 Eu1 O10 Co1 -50.94(16) . . . . ?
O8 Eu1 O10 Co1 158.23(17) . . . . ?
O12 C19 O11 Eu1 146.7(4) . . . . ?
C12 C19 O11 Eu1 -35.7(6) . . . . ?
O13 Eu1 O11 C19 -69.0(4) 4_575 . . . ?
O6 Eu1 O11 C19 76.6(4) 4_576 . . . ?
O3 Eu1 O11 C19 156.0(4) . . . . ?
O4 Eu1 O11 C19 112.1(4) . . . . ?
O17 Eu1 O11 C19 -116.1(4) . . . . ?
O10 Eu1 O11 C19 17.8(5) . . . . ?
O1 Eu1 O11 C19 -163.4(4) . . . . ?
O8 Eu1 O11 C19 -10.7(4) . . . . ?
Co1 Eu1 O11 C19 59.3(5) . . . . ?
O14 C20 O13 Eu1 -23.4(8) . . . 4_576 ?
C14 C20 O13 Eu1 155.7(3) . . . 4_576 ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.150
_refine_diff_density_min         -0.740
_refine_diff_density_rms         0.151
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p101016b
_database_code_depnum_ccdc_archive 'CCDC 1045470'
_audit_update_record             
;
2015-01-25 deposited with the CCDC.
2015-09-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H20 Co1.50 Gd O19'
_chemical_formula_weight         810.01

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.4737(13)
_cell_length_b                   19.133(3)
_cell_length_c                   18.000(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.684(12)
_cell_angle_gamma                90.00
_cell_volume                     2478.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    1085
_cell_measurement_theta_min      2.5105
_cell_measurement_theta_max      28.7933

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.171
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1586
_exptl_absorpt_coefficient_mu    3.741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7061
_exptl_absorpt_correction_T_max  0.8960
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_standards_number         3908
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9188
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.43
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4360
_reflns_number_gt                3408
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0531P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    CONSTR
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4360
_refine_ls_number_parameters     376
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.0933
_refine_ls_wR_factor_gt          0.0886
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_restrained_S_all      0.955
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Gd1 Gd 0.17379(4) 0.810671(14) 0.137465(17) 0.00817(11) Uani 1 1 d . . .
Co1 Co 0.36174(10) 0.63979(4) 0.21766(5) 0.00921(19) Uani 1 1 d . . .
Co2 Co 0.5000 1.0000 0.0000 0.0081(3) Uani 1 2 d S . .
C1 C 0.3827(7) 0.8748(3) 0.3292(4) 0.0095(12) Uani 1 1 d U . .
C2 C 0.3836(7) 0.8053(3) 0.3561(3) 0.0081(12) Uani 1 1 d . . .
C3 C 0.3673(7) 0.7948(3) 0.4295(3) 0.0097(12) Uani 1 1 d U . .
H3 H 0.3628 0.7491 0.4466 0.012 Uiso 1 1 calc R . .
C4 C 0.3573(7) 0.8486(3) 0.4790(4) 0.0093(13) Uani 1 1 d . . .
C5 C 0.3657(8) 0.9170(3) 0.4527(4) 0.0126(13) Uani 1 1 d . . .
H5 H 0.3635 0.9542 0.4857 0.015 Uiso 1 1 calc R . .
C6 C 0.3772(7) 0.9303(3) 0.3780(3) 0.0109(13) Uani 1 1 d U . .
H6 H 0.3811 0.9760 0.3611 0.013 Uiso 1 1 calc R . .
C7 C 0.4653(8) 0.9448(3) 0.2318(4) 0.0135(13) Uani 1 1 d . . .
H7A H 0.5862 0.9525 0.2678 0.016 Uiso 1 1 calc R . .
H7B H 0.3882 0.9854 0.2328 0.016 Uiso 1 1 calc R . .
C8 C 0.4855(7) 0.9335(3) 0.1512(3) 0.0098(13) Uani 1 1 d . . .
C9 C 0.3971(7) 0.7424(3) 0.3091(3) 0.0072(12) Uani 1 1 d U . .
C10 C 0.3443(7) 0.8312(3) 0.5580(4) 0.0091(13) Uani 1 1 d . . .
C11 C -0.1282(7) 0.7279(3) -0.0161(3) 0.0084(12) Uani 1 1 d . . .
C12 C -0.0949(7) 0.7751(3) -0.0705(3) 0.0065(12) Uani 1 1 d U . .
C13 C -0.0802(8) 0.7501(3) -0.1408(3) 0.0084(12) Uani 1 1 d . . .
H13 H -0.0596 0.7812 -0.1774 0.010 Uiso 1 1 calc R . .
C14 C -0.0960(8) 0.6779(3) -0.1576(4) 0.0096(12) Uani 1 1 d U . .
C15 C -0.1291(7) 0.6329(3) -0.1027(4) 0.0111(13) Uani 1 1 d U . .
H15 H -0.1402 0.5853 -0.1135 0.013 Uiso 1 1 calc R . .
C16 C -0.1462(8) 0.6561(3) -0.0326(4) 0.0123(13) Uani 1 1 d . . .
H16 H -0.1693 0.6248 0.0033 0.015 Uiso 1 1 calc R . .
C17 C -0.2181(8) 0.7116(3) 0.1020(3) 0.0099(12) Uani 1 1 d U . .
H17A H -0.3152 0.6828 0.0697 0.012 Uiso 1 1 calc R . .
H17B H -0.2732 0.7400 0.1347 0.012 Uiso 1 1 calc R . .
C18 C -0.0701(8) 0.6654(3) 0.1517(4) 0.0125(13) Uani 1 1 d . . .
C19 C -0.0576(8) 0.8511(3) -0.0509(4) 0.0101(13) Uani 1 1 d . . .
C20 C -0.0633(8) 0.6501(3) -0.2304(4) 0.0126(13) Uani 1 1 d U . .
O1 O 0.3805(5) 0.88306(18) 0.2530(2) 0.0124(9) Uani 1 1 d . . .
O2 O 0.5604(5) 0.98185(18) 0.1231(2) 0.0114(9) Uani 1 1 d . . .
O3 O 0.4236(5) 0.87712(18) 0.1166(2) 0.0109(9) Uani 1 1 d . . .
O4 O 0.3994(5) 0.74820(18) 0.2378(2) 0.0100(9) Uani 1 1 d . . .
O5 O 0.3955(6) 0.68222(19) 0.3369(2) 0.0147(9) Uani 1 1 d . . .
O6 O 0.3124(5) 0.76788(18) 0.5709(2) 0.0110(9) Uani 1 1 d . . .
O7 O 0.3702(5) 0.87975(19) 0.6076(2) 0.0106(9) Uani 1 1 d . . .
O8 O -0.1412(5) 0.75684(18) 0.0537(2) 0.0108(9) Uani 1 1 d . . .
O9 O -0.1171(5) 0.6104(2) 0.1796(3) 0.0193(10) Uani 1 1 d . . .
O10 O 0.0951(5) 0.68598(18) 0.1619(3) 0.0125(9) Uani 1 1 d . . .
O11 O 0.0683(5) 0.86432(18) 0.0109(2) 0.0116(9) Uani 1 1 d . . .
O12 O -0.1442(5) 0.89726(19) -0.0954(2) 0.0130(9) Uani 1 1 d . . .
O13 O 0.0039(5) 0.69220(17) -0.2717(2) 0.0115(9) Uani 1 1 d . . .
O14 O -0.0990(6) 0.5875(2) -0.2463(3) 0.0232(11) Uani 1 1 d . . .
O15 O 0.2262(5) 0.55765(19) 0.2455(3) 0.0165(10) Uani 1 1 d . . .
H15A H 0.1048 0.5570 0.2272 0.020 Uiso 1 1 d R . .
H15B H 0.2656 0.5426 0.2920 0.020 Uiso 1 1 d R . .
O16 O 0.6285(5) 0.60656(18) 0.2590(2) 0.0127(9) Uani 1 1 d . . .
H16A H 0.6978 0.6072 0.2277 0.015 Uiso 1 1 d R . .
H16B H 0.6856 0.6137 0.3071 0.015 Uiso 1 1 d R . .
O17 O 0.7858(5) 1.00017(19) 0.0027(2) 0.0099(9) Uani 1 1 d U . .
H17C H 0.8086 0.9728 -0.0327 0.012 Uiso 1 1 d R . .
H17D H 0.8373 1.0417 0.0010 0.012 Uiso 1 1 d R . .
O18 O 0.4937(5) 0.89415(18) -0.0228(2) 0.0154(10) Uani 1 1 d . . .
H18A H 0.4480 0.8703 -0.0645 0.018 Uiso 1 1 d R . .
H18B H 0.4965 0.8732 0.0200 0.018 Uiso 1 1 d R . .
O19 O 0.0435(5) 0.92825(19) 0.1394(2) 0.0169(10) Uani 1 1 d . . .
H19A H -0.0181 0.9237 0.1751 0.020 Uiso 1 1 d R . .
H19B H -0.0287 0.9474 0.0975 0.020 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Gd1 O13 2.326(4) 4_576 ?
Gd1 O6 2.332(4) 4_575 ?
Gd1 O3 2.371(4) . ?
Gd1 O4 2.427(4) . ?
Gd1 O11 2.428(4) . ?
Gd1 O19 2.455(4) . ?
Gd1 O10 2.524(3) . ?
Gd1 O1 2.626(4) . ?
Gd1 O8 2.638(4) . ?
Co1 O15 2.005(4) . ?
Co1 O16 2.032(4) . ?
Co1 O7 2.033(4) 4_575 ?
Co1 O4 2.111(4) . ?
Co1 O10 2.163(4) . ?
Co1 O5 2.244(4) . ?
Co2 O18 2.064(4) . ?
Co2 O18 2.064(4) 3_675 ?
Co2 O17 2.124(3) . ?
Co2 O17 2.124(3) 3_675 ?
Co2 O2 2.166(4) 3_675 ?
Co2 O2 2.166(4) . ?
C1 O1 1.376(7) . ?
C1 C6 1.387(8) . ?
C1 C2 1.415(7) . ?
C2 C3 1.374(8) . ?
C2 C9 1.489(7) . ?
C3 C4 1.377(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.397(7) . ?
C4 C10 1.489(8) . ?
C5 C6 1.393(8) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 O1 1.440(6) . ?
C7 C8 1.515(8) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O2 1.257(6) . ?
C8 O3 1.268(6) . ?
C9 O5 1.257(6) . ?
C9 O4 1.293(7) . ?
C10 O7 1.266(7) . ?
C10 O6 1.269(6) . ?
C11 O8 1.399(7) . ?
C11 C12 1.403(7) . ?
C11 C16 1.404(8) . ?
C12 C13 1.386(8) . ?
C12 C19 1.504(8) . ?
C13 C14 1.412(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.383(8) . ?
C14 C20 1.495(8) . ?
C15 C16 1.376(8) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 O8 1.451(6) . ?
C17 C18 1.507(9) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 O9 1.256(6) . ?
C18 O10 1.262(7) . ?
C19 O12 1.250(7) . ?
C19 O11 1.273(7) . ?
C20 O14 1.244(6) . ?
C20 O13 1.286(6) . ?
O6 Gd1 2.332(4) 4_576 ?
O7 Co1 2.033(4) 4_576 ?
O13 Gd1 2.326(4) 4_575 ?
O15 H15A 0.8774 . ?
O15 H15B 0.8582 . ?
O16 H16A 0.8631 . ?
O16 H16B 0.8665 . ?
O17 H17C 0.8752 . ?
O17 H17D 0.8873 . ?
O18 H18A 0.8662 . ?
O18 H18B 0.8638 . ?
O19 H19A 0.8914 . ?
O19 H19B 0.8797 . ?

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
_geom_angle_publ_flag
O13 Gd1 O6 138.46(12) 4_576 4_575 ?
O13 Gd1 O3 136.62(13) 4_576 . ?
O6 Gd1 O3 77.65(13) 4_575 . ?
O13 Gd1 O4 82.35(13) 4_576 . ?
O6 Gd1 O4 75.46(13) 4_575 . ?
O3 Gd1 O4 87.91(13) . . ?
O13 Gd1 O11 124.68(13) 4_576 . ?
O6 Gd1 O11 82.37(13) 4_575 . ?
O3 Gd1 O11 72.21(13) . . ?
O4 Gd1 O11 152.97(12) . . ?
O13 Gd1 O19 73.61(12) 4_576 . ?
O6 Gd1 O19 146.18(13) 4_575 . ?
O3 Gd1 O19 80.98(12) . . ?
O4 Gd1 O19 129.74(13) . . ?
O11 Gd1 O19 66.20(13) . . ?
O13 Gd1 O10 70.01(12) 4_576 . ?
O6 Gd1 O10 68.71(12) 4_575 . ?
O3 Gd1 O10 139.90(12) . . ?
O4 Gd1 O10 63.41(13) . . ?
O11 Gd1 O10 122.10(13) . . ?
O19 Gd1 O10 138.73(13) . . ?
O13 Gd1 O1 76.81(13) 4_576 . ?
O6 Gd1 O1 119.93(13) 4_575 . ?
O3 Gd1 O1 61.50(12) . . ?
O4 Gd1 O1 61.86(12) . . ?
O11 Gd1 O1 119.51(12) . . ?
O19 Gd1 O1 69.89(13) . . ?
O10 Gd1 O1 118.39(13) . . ?
O13 Gd1 O8 79.64(13) 4_576 . ?
O6 Gd1 O8 84.63(12) 4_575 . ?
O3 Gd1 O8 137.56(13) . . ?
O4 Gd1 O8 124.50(12) . . ?
O11 Gd1 O8 67.38(12) . . ?
O19 Gd1 O8 94.01(12) . . ?
O10 Gd1 O8 61.09(12) . . ?
O1 Gd1 O8 154.42(11) . . ?
O15 Co1 O16 100.09(16) . . ?
O15 Co1 O7 104.49(16) . 4_575 ?
O16 Co1 O7 90.77(15) . 4_575 ?
O15 Co1 O4 141.25(15) . . ?
O16 Co1 O4 99.92(15) . . ?
O7 Co1 O4 108.07(15) 4_575 . ?
O15 Co1 O10 88.39(15) . . ?
O16 Co1 O10 170.84(15) . . ?
O7 Co1 O10 83.71(15) 4_575 . ?
O4 Co1 O10 75.03(14) . . ?
O15 Co1 O5 88.75(16) . . ?
O16 Co1 O5 85.27(15) . . ?
O7 Co1 O5 166.66(15) 4_575 . ?
O4 Co1 O5 60.33(14) . . ?
O10 Co1 O5 98.47(15) . . ?
O18 Co2 O18 180.0(2) . 3_675 ?
O18 Co2 O17 88.55(14) . . ?
O18 Co2 O17 91.45(14) 3_675 . ?
O18 Co2 O17 91.45(14) . 3_675 ?
O18 Co2 O17 88.55(14) 3_675 3_675 ?
O17 Co2 O17 180.0(2) . 3_675 ?
O18 Co2 O2 88.11(15) . 3_675 ?
O18 Co2 O2 91.89(15) 3_675 3_675 ?
O17 Co2 O2 87.31(14) . 3_675 ?
O17 Co2 O2 92.69(14) 3_675 3_675 ?
O18 Co2 O2 91.89(15) . . ?
O18 Co2 O2 88.11(15) 3_675 . ?
O17 Co2 O2 92.69(14) . . ?
O17 Co2 O2 87.31(14) 3_675 . ?
O2 Co2 O2 180.00(18) 3_675 . ?
O1 C1 C6 123.3(5) . . ?
O1 C1 C2 116.6(5) . . ?
C6 C1 C2 120.1(5) . . ?
C3 C2 C1 118.2(5) . . ?
C3 C2 C9 117.7(5) . . ?
C1 C2 C9 124.0(5) . . ?
C2 C3 C4 123.2(5) . . ?
C2 C3 H3 118.4 . . ?
C4 C3 H3 118.4 . . ?
C3 C4 C5 117.8(6) . . ?
C3 C4 C10 118.6(5) . . ?
C5 C4 C10 123.5(5) . . ?
C6 C5 C4 121.2(5) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C1 C6 C5 119.5(5) . . ?
C1 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
O1 C7 C8 107.6(4) . . ?
O1 C7 H7A 110.2 . . ?
C8 C7 H7A 110.2 . . ?
O1 C7 H7B 110.2 . . ?
C8 C7 H7B 110.2 . . ?
H7A C7 H7B 108.5 . . ?
O2 C8 O3 124.9(5) . . ?
O2 C8 C7 116.8(5) . . ?
O3 C8 C7 118.3(5) . . ?
O5 C9 O4 118.5(5) . . ?
O5 C9 C2 120.3(5) . . ?
O4 C9 C2 121.1(5) . . ?
O7 C10 O6 124.8(5) . . ?
O7 C10 C4 118.3(5) . . ?
O6 C10 C4 116.9(5) . . ?
O8 C11 C12 116.1(5) . . ?
O8 C11 C16 123.4(5) . . ?
C12 C11 C16 120.4(5) . . ?
C13 C12 C11 119.2(5) . . ?
C13 C12 C19 119.5(5) . . ?
C11 C12 C19 121.0(5) . . ?
C12 C13 C14 120.7(5) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C15 C14 C13 118.5(5) . . ?
C15 C14 C20 120.6(5) . . ?
C13 C14 C20 120.7(5) . . ?
C16 C15 C14 122.2(5) . . ?
C16 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
C15 C16 C11 118.8(5) . . ?
C15 C16 H16 120.6 . . ?
C11 C16 H16 120.6 . . ?
O8 C17 C18 111.1(4) . . ?
O8 C17 H17A 109.4 . . ?
C18 C17 H17A 109.4 . . ?
O8 C17 H17B 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
O9 C18 O10 124.9(6) . . ?
O9 C18 C17 119.3(5) . . ?
O10 C18 C17 115.8(5) . . ?
O12 C19 O11 123.5(5) . . ?
O12 C19 C12 120.1(5) . . ?
O11 C19 C12 116.4(5) . . ?
O14 C20 O13 124.3(5) . . ?
O14 C20 C14 117.9(5) . . ?
O13 C20 C14 117.8(5) . . ?
C1 O1 C7 118.1(4) . . ?
C1 O1 Gd1 125.1(3) . . ?
C7 O1 Gd1 115.4(3) . . ?
C8 O2 Co2 122.5(4) . . ?
C8 O3 Gd1 125.2(3) . . ?
C9 O4 Co1 92.8(3) . . ?
C9 O4 Gd1 126.0(3) . . ?
Co1 O4 Gd1 108.81(16) . . ?
C9 O5 Co1 87.8(3) . . ?
C10 O6 Gd1 147.3(3) . 4_576 ?
C10 O7 Co1 120.9(4) . 4_576 ?
C11 O8 C17 115.9(4) . . ?
C11 O8 Gd1 113.6(3) . . ?
C17 O8 Gd1 109.1(3) . . ?
C18 O10 Co1 133.0(4) . . ?
C18 O10 Gd1 122.4(3) . . ?
Co1 O10 Gd1 103.79(14) . . ?
C19 O11 Gd1 135.3(3) . . ?
C20 O13 Gd1 139.8(3) . 4_575 ?
Co1 O15 H15A 117.2 . . ?
Co1 O15 H15B 116.3 . . ?
H15A O15 H15B 114.2 . . ?
Co1 O16 H16A 117.4 . . ?
Co1 O16 H16B 119.1 . . ?
H16A O16 H16B 115.4 . . ?
Co2 O17 H17C 112.0 . . ?
Co2 O17 H17D 116.3 . . ?
H17C O17 H17D 109.9 . . ?
Co2 O18 H18A 132.2 . . ?
Co2 O18 H18B 106.6 . . ?
H18A O18 H18B 115.8 . . ?
Gd1 O19 H19A 101.8 . . ?
Gd1 O19 H19B 121.6 . . ?
H19A O19 H19B 110.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 -173.7(5) . . . . ?
C6 C1 C2 C3 4.0(8) . . . . ?
O1 C1 C2 C9 4.9(8) . . . . ?
C6 C1 C2 C9 -177.4(5) . . . . ?
C1 C2 C3 C4 -2.6(8) . . . . ?
C9 C2 C3 C4 178.7(5) . . . . ?
C2 C3 C4 C5 -0.5(8) . . . . ?
C2 C3 C4 C10 -178.6(5) . . . . ?
C3 C4 C5 C6 2.2(8) . . . . ?
C10 C4 C5 C6 -179.8(5) . . . . ?
O1 C1 C6 C5 175.2(5) . . . . ?
C2 C1 C6 C5 -2.4(8) . . . . ?
C4 C5 C6 C1 -0.8(8) . . . . ?
O1 C7 C8 O2 -178.8(5) . . . . ?
O1 C7 C8 O3 2.3(7) . . . . ?
C3 C2 C9 O5 -0.8(8) . . . . ?
C1 C2 C9 O5 -179.4(5) . . . . ?
C3 C2 C9 O4 175.0(5) . . . . ?
C1 C2 C9 O4 -3.6(8) . . . . ?
C3 C4 C10 O7 166.9(5) . . . . ?
C5 C4 C10 O7 -11.0(8) . . . . ?
C3 C4 C10 O6 -11.3(7) . . . . ?
C5 C4 C10 O6 170.7(5) . . . . ?
O8 C11 C12 C13 179.9(5) . . . . ?
C16 C11 C12 C13 0.1(8) . . . . ?
O8 C11 C12 C19 5.6(7) . . . . ?
C16 C11 C12 C19 -174.2(5) . . . . ?
C11 C12 C13 C14 -0.8(8) . . . . ?
C19 C12 C13 C14 173.6(5) . . . . ?
C12 C13 C14 C15 0.9(8) . . . . ?
C12 C13 C14 C20 -174.5(5) . . . . ?
C13 C14 C15 C16 -0.3(8) . . . . ?
C20 C14 C15 C16 175.1(5) . . . . ?
C14 C15 C16 C11 -0.4(8) . . . . ?
O8 C11 C16 C15 -179.3(5) . . . . ?
C12 C11 C16 C15 0.5(8) . . . . ?
O8 C17 C18 O9 -159.4(5) . . . . ?
O8 C17 C18 O10 20.6(7) . . . . ?
C13 C12 C19 O12 54.8(7) . . . . ?
C11 C12 C19 O12 -130.9(6) . . . . ?
C13 C12 C19 O11 -123.1(6) . . . . ?
C11 C12 C19 O11 51.2(7) . . . . ?
C15 C14 C20 O14 12.5(8) . . . . ?
C13 C14 C20 O14 -172.3(5) . . . . ?
C15 C14 C20 O13 -165.9(5) . . . . ?
C13 C14 C20 O13 9.3(8) . . . . ?
C6 C1 O1 C7 31.5(7) . . . . ?
C2 C1 O1 C7 -150.9(5) . . . . ?
C6 C1 O1 Gd1 -134.4(4) . . . . ?
C2 C1 O1 Gd1 43.2(6) . . . . ?
C8 C7 O1 C1 166.8(4) . . . . ?
C8 C7 O1 Gd1 -25.9(5) . . . . ?
O13 Gd1 O1 C1 26.9(4) 4_576 . . . ?
O6 Gd1 O1 C1 -111.8(4) 4_575 . . . ?
O3 Gd1 O1 C1 -165.4(4) . . . . ?
O4 Gd1 O1 C1 -61.4(4) . . . . ?
O11 Gd1 O1 C1 149.5(4) . . . . ?
O19 Gd1 O1 C1 104.1(4) . . . . ?
O10 Gd1 O1 C1 -31.3(4) . . . . ?
O8 Gd1 O1 C1 50.4(5) . . . . ?
O13 Gd1 O1 C7 -139.3(3) 4_576 . . . ?
O6 Gd1 O1 C7 81.9(4) 4_575 . . . ?
O3 Gd1 O1 C7 28.3(3) . . . . ?
O4 Gd1 O1 C7 132.4(4) . . . . ?
O11 Gd1 O1 C7 -16.7(4) . . . . ?
O19 Gd1 O1 C7 -62.2(3) . . . . ?
O10 Gd1 O1 C7 162.4(3) . . . . ?
O8 Gd1 O1 C7 -115.9(4) . . . . ?
O3 C8 O2 Co2 26.3(7) . . . . ?
C7 C8 O2 Co2 -152.5(4) . . . . ?
O18 Co2 O2 C8 -39.6(4) . . . . ?
O18 Co2 O2 C8 140.4(4) 3_675 . . . ?
O17 Co2 O2 C8 -128.3(4) . . . . ?
O17 Co2 O2 C8 51.7(4) 3_675 . . . ?
O2 Co2 O2 C8 151(100) 3_675 . . . ?
O2 C8 O3 Gd1 -150.7(4) . . . . ?
C7 C8 O3 Gd1 28.0(7) . . . . ?
O13 Gd1 O3 C8 -12.5(5) 4_576 . . . ?
O6 Gd1 O3 C8 -164.6(5) 4_575 . . . ?
O4 Gd1 O3 C8 -89.1(4) . . . . ?
O11 Gd1 O3 C8 109.5(4) . . . . ?
O19 Gd1 O3 C8 41.7(4) . . . . ?
O10 Gd1 O3 C8 -131.4(4) . . . . ?
O1 Gd1 O3 C8 -30.2(4) . . . . ?
O8 Gd1 O3 C8 127.8(4) . . . . ?
O5 C9 O4 Co1 7.2(5) . . . . ?
C2 C9 O4 Co1 -168.6(4) . . . . ?
O5 C9 O4 Gd1 123.0(4) . . . . ?
C2 C9 O4 Gd1 -52.9(6) . . . . ?
O15 Co1 O4 C9 37.3(4) . . . . ?
O16 Co1 O4 C9 -82.8(3) . . . . ?
O7 Co1 O4 C9 -176.9(3) 4_575 . . . ?
O10 Co1 O4 C9 105.0(3) . . . . ?
O5 Co1 O4 C9 -4.1(3) . . . . ?
O15 Co1 O4 Gd1 -92.3(3) . . . . ?
O16 Co1 O4 Gd1 147.52(15) . . . . ?
O7 Co1 O4 Gd1 53.43(18) 4_575 . . . ?
O10 Co1 O4 Gd1 -24.65(15) . . . . ?
O5 Co1 O4 Gd1 -133.8(2) . . . . ?
O13 Gd1 O4 C9 -14.1(4) 4_576 . . . ?
O6 Gd1 O4 C9 -158.7(4) 4_575 . . . ?
O3 Gd1 O4 C9 123.6(4) . . . . ?
O11 Gd1 O4 C9 165.5(4) . . . . ?
O19 Gd1 O4 C9 47.1(4) . . . . ?
O10 Gd1 O4 C9 -85.5(4) . . . . ?
O1 Gd1 O4 C9 65.0(4) . . . . ?
O8 Gd1 O4 C9 -85.9(4) . . . . ?
O13 Gd1 O4 Co1 94.14(16) 4_576 . . . ?
O6 Gd1 O4 Co1 -50.46(15) 4_575 . . . ?
O3 Gd1 O4 Co1 -128.24(16) . . . . ?
O11 Gd1 O4 Co1 -86.3(3) . . . . ?
O19 Gd1 O4 Co1 155.32(14) . . . . ?
O10 Gd1 O4 Co1 22.71(14) . . . . ?
O1 Gd1 O4 Co1 173.23(19) . . . . ?
O8 Gd1 O4 Co1 22.3(2) . . . . ?
O4 C9 O5 Co1 -6.8(5) . . . . ?
C2 C9 O5 Co1 169.1(5) . . . . ?
O15 Co1 O5 C9 -151.3(3) . . . . ?
O16 Co1 O5 C9 108.4(3) . . . . ?
O7 Co1 O5 C9 35.3(8) 4_575 . . . ?
O4 Co1 O5 C9 4.2(3) . . . . ?
O10 Co1 O5 C9 -63.1(3) . . . . ?
O7 C10 O6 Gd1 34.4(10) . . . 4_576 ?
C4 C10 O6 Gd1 -147.5(5) . . . 4_576 ?
O6 C10 O7 Co1 -0.3(7) . . . 4_576 ?
C4 C10 O7 Co1 -178.4(3) . . . 4_576 ?
C12 C11 O8 C17 166.0(5) . . . . ?
C16 C11 O8 C17 -14.2(7) . . . . ?
C12 C11 O8 Gd1 -66.6(5) . . . . ?
C16 C11 O8 Gd1 113.3(5) . . . . ?
C18 C17 O8 C11 84.9(6) . . . . ?
C18 C17 O8 Gd1 -44.8(5) . . . . ?
O13 Gd1 O8 C11 -166.5(3) 4_576 . . . ?
O6 Gd1 O8 C11 -25.1(3) 4_575 . . . ?
O3 Gd1 O8 C11 40.0(4) . . . . ?
O4 Gd1 O8 C11 -93.3(3) . . . . ?
O11 Gd1 O8 C11 58.9(3) . . . . ?
O19 Gd1 O8 C11 121.0(3) . . . . ?
O10 Gd1 O8 C11 -93.7(3) . . . . ?
O1 Gd1 O8 C11 170.3(3) . . . . ?
O13 Gd1 O8 C17 -35.5(3) 4_576 . . . ?
O6 Gd1 O8 C17 105.9(3) 4_575 . . . ?
O3 Gd1 O8 C17 170.9(3) . . . . ?
O4 Gd1 O8 C17 37.6(3) . . . . ?
O11 Gd1 O8 C17 -170.2(3) . . . . ?
O19 Gd1 O8 C17 -108.1(3) . . . . ?
O10 Gd1 O8 C17 37.2(3) . . . . ?
O1 Gd1 O8 C17 -58.7(4) . . . . ?
O9 C18 O10 Co1 5.9(9) . . . . ?
C17 C18 O10 Co1 -174.1(4) . . . . ?
O9 C18 O10 Gd1 -162.0(4) . . . . ?
C17 C18 O10 Gd1 18.1(7) . . . . ?
O15 Co1 O10 C18 -1.8(5) . . . . ?
O16 Co1 O10 C18 156.1(9) . . . . ?
O7 Co1 O10 C18 102.9(5) 4_575 . . . ?
O4 Co1 O10 C18 -146.4(6) . . . . ?
O5 Co1 O10 C18 -90.3(5) . . . . ?
O15 Co1 O10 Gd1 167.60(18) . . . . ?
O16 Co1 O10 Gd1 -34.5(11) . . . . ?
O7 Co1 O10 Gd1 -87.63(16) 4_575 . . . ?
O4 Co1 O10 Gd1 23.01(15) . . . . ?
O5 Co1 O10 Gd1 79.10(16) . . . . ?
O13 Gd1 O10 C18 58.0(4) 4_576 . . . ?
O6 Gd1 O10 C18 -126.8(5) 4_575 . . . ?
O3 Gd1 O10 C18 -161.8(4) . . . . ?
O4 Gd1 O10 C18 149.3(5) . . . . ?
O11 Gd1 O10 C18 -61.2(5) . . . . ?
O19 Gd1 O10 C18 28.4(5) . . . . ?
O1 Gd1 O10 C18 119.8(4) . . . . ?
O8 Gd1 O10 C18 -31.0(4) . . . . ?
O13 Gd1 O10 Co1 -112.9(2) 4_576 . . . ?
O6 Gd1 O10 Co1 62.35(16) 4_575 . . . ?
O3 Gd1 O10 Co1 27.3(3) . . . . ?
O4 Gd1 O10 Co1 -21.55(14) . . . . ?
O11 Gd1 O10 Co1 127.99(16) . . . . ?
O19 Gd1 O10 Co1 -142.45(17) . . . . ?
O1 Gd1 O10 Co1 -51.11(19) . . . . ?
O8 Gd1 O10 Co1 158.1(2) . . . . ?
O12 C19 O11 Gd1 146.5(4) . . . . ?
C12 C19 O11 Gd1 -35.6(7) . . . . ?
O13 Gd1 O11 C19 -68.7(5) 4_576 . . . ?
O6 Gd1 O11 C19 77.0(5) 4_575 . . . ?
O3 Gd1 O11 C19 156.4(5) . . . . ?
O4 Gd1 O11 C19 111.9(5) . . . . ?
O19 Gd1 O11 C19 -115.8(5) . . . . ?
O10 Gd1 O11 C19 18.1(5) . . . . ?
O1 Gd1 O11 C19 -162.8(5) . . . . ?
O8 Gd1 O11 C19 -10.3(5) . . . . ?
O14 C20 O13 Gd1 -23.1(10) . . . 4_575 ?
C14 C20 O13 Gd1 155.3(4) . . . 4_575 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.744
_refine_diff_density_min         -2.605
_refine_diff_density_rms         0.185
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_r100707a
_database_code_depnum_ccdc_archive 'CCDC 1045471'
_audit_update_record             
;
2015-01-25 deposited with the CCDC.
2015-09-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H20 Co1.50 O19 Pr'
_chemical_formula_weight         793.67

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'
Co Co 0.3494 0.9721 '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'
Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.5364(15)
_cell_length_b                   19.168(4)
_cell_length_c                   17.972(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.76(3)
_cell_angle_gamma                90.00
_cell_volume                     2498.6(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    1085
_cell_measurement_theta_min      2.5105
_cell_measurement_theta_max      28.7933

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.110
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1566
_exptl_absorpt_coefficient_mu    3.006
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6960
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_standards_number         3908
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18404
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.59
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4396
_reflns_number_gt                3918
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0337P)²+2.1883P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4396
_refine_ls_number_parameters     376
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_ref         0.0705
_refine_ls_wR_factor_gt          0.0681
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_restrained_S_all      1.116
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Pr1 Pr 0.82576(3) 0.811234(11) 0.862150(12) 0.00808(8) Uani 1 1 d . . .
Co1 Co 0.63830(7) 0.63972(3) 0.78224(3) 0.00809(13) Uani 1 1 d . . .
Co2 Co 0.5000 1.0000 1.0000 0.00844(16) Uani 1 2 d S . .
C1 C 0.6081(5) 0.8734(2) 0.6697(2) 0.0103(8) Uani 1 1 d U . .
C2 C 0.6101(5) 0.8050(2) 0.6428(2) 0.0084(8) Uani 1 1 d . . .
C3 C 0.6286(5) 0.7948(2) 0.5693(2) 0.0103(8) Uani 1 1 d . . .
H3 H 0.6347 0.7494 0.5517 0.012 Uiso 1 1 calc R . .
C4 C 0.6383(5) 0.8500(2) 0.5208(2) 0.0094(8) Uani 1 1 d . . .
C5 C 0.6288(5) 0.9172(2) 0.5471(2) 0.0121(8) Uani 1 1 d . . .
H5 H 0.6317 0.9546 0.5145 0.014 Uiso 1 1 calc R . .
C6 C 0.6150(5) 0.9298(2) 0.6214(2) 0.0127(8) Uani 1 1 d . . .
H6 H 0.6105 0.9753 0.6389 0.015 Uiso 1 1 calc R . .
C7 C 0.5267(5) 0.9446(2) 0.7669(2) 0.0117(8) Uani 1 1 d . . .
H7A H 0.4065 0.9527 0.7312 0.014 Uiso 1 1 calc R . .
H7B H 0.6045 0.9845 0.7653 0.014 Uiso 1 1 calc R . .
C8 C 0.5082(5) 0.9345(2) 0.8481(2) 0.0095(8) Uani 1 1 d . . .
C9 C 0.6012(5) 0.7418(2) 0.6892(2) 0.0095(8) Uani 1 1 d . . .
C10 C 0.6537(5) 0.8329(2) 0.4415(2) 0.0076(8) Uani 1 1 d . . .
C11 C 1.1305(5) 0.7274(2) 1.0144(2) 0.0096(8) Uani 1 1 d . . .
C12 C 1.0983(5) 0.7746(2) 1.0689(2) 0.0101(8) Uani 1 1 d . . .
C13 C 1.0815(5) 0.7488(2) 1.1385(2) 0.0118(8) Uani 1 1 d . . .
H13 H 1.0618 0.7796 1.1754 0.014 Uiso 1 1 calc R . .
C14 C 1.0935(5) 0.6777(2) 1.1543(2) 0.0107(8) Uani 1 1 d . . .
C15 C 1.1262(5) 0.6323(2) 1.0993(2) 0.0138(9) Uani 1 1 d . . .
H15 H 1.1351 0.5846 1.1095 0.017 Uiso 1 1 calc R . .
C16 C 1.1456(5) 0.6564(2) 1.0300(2) 0.0128(8) Uani 1 1 d . . .
H16 H 1.1686 0.6255 0.9938 0.015 Uiso 1 1 calc R . .
C17 C 1.2185(5) 0.7112(2) 0.8961(2) 0.0109(8) Uani 1 1 d . . .
H17A H 1.3148 0.6821 0.9280 0.013 Uiso 1 1 calc R . .
H17B H 1.2728 0.7393 0.8631 0.013 Uiso 1 1 calc R . .
C18 C 1.0680(5) 0.6648(2) 0.8459(2) 0.0103(8) Uani 1 1 d . . .
C19 C 1.0634(5) 0.8505(2) 1.0507(2) 0.0108(8) Uani 1 1 d . . .
C20 C 1.0617(5) 0.6492(2) 1.2273(2) 0.0136(9) Uani 1 1 d . . .
O1 O 0.6073(4) 0.88235(13) 0.74557(14) 0.0111(6) Uani 1 1 d . . .
O2 O 0.4374(4) 0.98353(14) 0.87606(14) 0.0112(6) Uani 1 1 d . . .
O3 O 0.5708(4) 0.87912(14) 0.88331(15) 0.0119(6) Uani 1 1 d . . .
O4 O 0.5975(3) 0.74653(13) 0.76040(14) 0.0095(6) Uani 1 1 d . . .
O5 O 0.6017(4) 0.68216(14) 0.66068(15) 0.0138(6) Uani 1 1 d . . .
O6 O 0.6813(4) 0.76963(14) 0.42829(15) 0.0115(6) Uani 1 1 d . . .
O7 O 0.6295(4) 0.88112(14) 0.39234(15) 0.0125(6) Uani 1 1 d . . .
O8 O 1.1456(3) 0.75653(14) 0.94515(14) 0.0107(6) Uani 1 1 d . . .
O9 O 1.1159(4) 0.61108(16) 0.81706(17) 0.0204(7) Uani 1 1 d . . .
O10 O 0.9047(3) 0.68508(14) 0.83741(15) 0.0106(6) Uani 1 1 d . . .
O11 O 0.9370(4) 0.86540(14) 0.99008(15) 0.0123(6) Uani 1 1 d . . .
O12 O 1.1537(4) 0.89585(14) 1.09514(15) 0.0143(6) Uani 1 1 d . . .
O13 O 0.9976(4) 0.69117(14) 1.26903(15) 0.0129(6) Uani 1 1 d . . .
O14 O 1.0953(5) 0.58666(16) 1.24240(17) 0.0254(7) Uani 1 1 d . . .
O15 O 0.7740(4) 0.55910(14) 0.75305(16) 0.0158(6) Uani 1 1 d . . .
H15A H 0.7289 0.5357 0.7123 0.019 Uiso 1 1 d R . .
H15B H 0.8891 0.5595 0.7738 0.019 Uiso 1 1 d R . .
O16 O 0.3740(4) 0.60620(14) 0.74065(15) 0.0126(6) Uani 1 1 d . . .
H16A H 0.3204 0.6077 0.6927 0.015 Uiso 1 1 d R . .
H16B H 0.3104 0.6123 0.7727 0.015 Uiso 1 1 d R . .
O17 O 0.9556(4) 0.93192(15) 0.85785(16) 0.0188(7) Uani 1 1 d . . .
H17C H 1.0081 0.9353 0.8198 0.023 Uiso 1 1 d R . .
H17D H 1.0282 0.9475 0.9014 0.023 Uiso 1 1 d R . .
O18 O 0.5027(4) 0.89454(14) 1.02219(15) 0.0160(6) Uani 1 1 d . . .
H18B H 0.5446 0.8714 1.0644 0.019 Uiso 1 1 d R . .
H18A H 0.5310 0.8763 0.9831 0.019 Uiso 1 1 d R . .
O19 O 0.2156(3) 1.00076(14) 0.99745(15) 0.0119(6) Uani 1 1 d . . .
H19A H 0.1946 0.9711 1.0297 0.014 Uiso 1 1 d R . .
H19B H 0.1641 1.0411 0.9975 0.014 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O13 2.378(3) 4_575 ?
Pr1 O6 2.388(3) 4_576 ?
Pr1 O3 2.435(3) . ?
Pr1 O11 2.454(3) . ?
Pr1 O4 2.477(3) . ?
Pr1 O17 2.521(3) . ?
Pr1 O10 2.558(3) . ?
Pr1 O1 2.662(3) . ?
Pr1 O8 2.680(3) . ?
Co1 O15 2.000(3) . ?
Co1 O16 2.032(3) . ?
Co1 O7 2.037(3) 4_576 ?
Co1 O4 2.092(3) . ?
Co1 O10 2.165(3) . ?
Co1 O5 2.277(3) . ?
Co2 O18 2.059(3) 3_677 ?
Co2 O18 2.059(3) . ?
Co2 O19 2.132(3) . ?
Co2 O19 2.132(3) 3_677 ?
Co2 O2 2.171(3) 3_677 ?
Co2 O2 2.171(3) . ?
C1 O1 1.377(5) . ?
C1 C6 1.396(6) . ?
C1 C2 1.398(5) . ?
C2 C3 1.380(5) . ?
C2 C9 1.483(5) . ?
C3 C4 1.386(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.380(6) . ?
C4 C10 1.498(5) . ?
C5 C6 1.389(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 O1 1.437(4) . ?
C7 C8 1.514(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O2 1.251(5) . ?
C8 O3 1.261(5) . ?
C9 O5 1.253(5) . ?
C9 O4 1.291(5) . ?
C10 O7 1.257(5) . ?
C10 O6 1.264(5) . ?
C11 C16 1.388(6) . ?
C11 O8 1.397(4) . ?
C11 C12 1.401(5) . ?
C12 C13 1.382(5) . ?
C12 C19 1.500(6) . ?
C13 C14 1.390(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.390(6) . ?
C14 C20 1.499(6) . ?
C15 C16 1.373(6) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 O8 1.449(5) . ?
C17 C18 1.527(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 O9 1.250(5) . ?
C18 O10 1.260(5) . ?
C19 O12 1.249(5) . ?
C19 O11 1.270(5) . ?
C20 O14 1.241(5) . ?
C20 O13 1.280(5) . ?
O6 Pr1 2.388(3) 4_575 ?
O7 Co1 2.037(3) 4_575 ?
O13 Pr1 2.378(3) 4_576 ?
O15 H15A 0.8473 . ?
O15 H15B 0.8459 . ?
O16 H16A 0.8477 . ?
O16 H16B 0.8516 . ?
O17 H17C 0.8810 . ?
O17 H17D 0.8764 . ?
O18 H18B 0.8618 . ?
O18 H18A 0.8616 . ?
O19 H19A 0.8572 . ?
O19 H19B 0.8647 . ?

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
_geom_angle_publ_flag
O13 Pr1 O6 138.29(9) 4_575 4_576 ?
O13 Pr1 O3 136.38(9) 4_575 . ?
O6 Pr1 O3 77.48(9) 4_576 . ?
O13 Pr1 O11 123.71(10) 4_575 . ?
O6 Pr1 O11 83.92(9) 4_576 . ?
O3 Pr1 O11 73.18(9) . . ?
O13 Pr1 O4 82.68(9) 4_575 . ?
O6 Pr1 O4 73.93(9) 4_576 . ?
O3 Pr1 O4 87.91(9) . . ?
O11 Pr1 O4 153.61(9) . . ?
O13 Pr1 O17 72.91(9) 4_575 . ?
O6 Pr1 O17 147.56(9) 4_576 . ?
O3 Pr1 O17 81.01(10) . . ?
O11 Pr1 O17 66.66(9) . . ?
O4 Pr1 O17 129.38(9) . . ?
O13 Pr1 O10 70.28(9) 4_575 . ?
O6 Pr1 O10 68.41(9) 4_576 . ?
O3 Pr1 O10 139.74(9) . . ?
O11 Pr1 O10 121.77(8) . . ?
O4 Pr1 O10 62.99(8) . . ?
O17 Pr1 O10 138.73(9) . . ?
O13 Pr1 O1 78.15(9) 4_575 . ?
O6 Pr1 O1 117.13(9) 4_576 . ?
O3 Pr1 O1 60.24(8) . . ?
O11 Pr1 O1 120.12(8) . . ?
O4 Pr1 O1 61.19(9) . . ?
O17 Pr1 O1 70.62(9) . . ?
O10 Pr1 O1 118.08(8) . . ?
O13 Pr1 O8 78.74(9) 4_575 . ?
O6 Pr1 O8 86.09(9) 4_576 . ?
O3 Pr1 O8 138.67(8) . . ?
O11 Pr1 O8 67.50(9) . . ?
O4 Pr1 O8 123.67(8) . . ?
O17 Pr1 O8 94.48(9) . . ?
O10 Pr1 O8 60.68(8) . . ?
O1 Pr1 O8 155.38(8) . . ?
O15 Co1 O16 100.31(11) . . ?
O15 Co1 O7 104.90(12) . 4_576 ?
O16 Co1 O7 90.47(11) . 4_576 ?
O15 Co1 O4 140.06(11) . . ?
O16 Co1 O4 99.26(11) . . ?
O7 Co1 O4 109.41(11) 4_576 . ?
O15 Co1 O10 87.35(11) . . ?
O16 Co1 O10 171.74(11) . . ?
O7 Co1 O10 84.53(11) 4_576 . ?
O4 Co1 O10 76.33(10) . . ?
O15 Co1 O5 87.81(11) . . ?
O16 Co1 O5 84.76(11) . . ?
O7 Co1 O5 167.06(11) 4_576 . ?
O4 Co1 O5 59.79(10) . . ?
O10 Co1 O5 98.72(11) . . ?
O18 Co2 O18 180.00(15) 3_677 . ?
O18 Co2 O19 91.85(11) 3_677 . ?
O18 Co2 O19 88.15(11) . . ?
O18 Co2 O19 88.15(11) 3_677 3_677 ?
O18 Co2 O19 91.85(11) . 3_677 ?
O19 Co2 O19 180.000(1) . 3_677 ?
O18 Co2 O2 92.52(10) 3_677 3_677 ?
O18 Co2 O2 87.48(10) . 3_677 ?
O19 Co2 O2 87.61(10) . 3_677 ?
O19 Co2 O2 92.39(10) 3_677 3_677 ?
O18 Co2 O2 87.48(10) 3_677 . ?
O18 Co2 O2 92.52(10) . . ?
O19 Co2 O2 92.39(10) . . ?
O19 Co2 O2 87.61(10) 3_677 . ?
O2 Co2 O2 180.000(1) 3_677 . ?
O1 C1 C6 122.0(4) . . ?
O1 C1 C2 117.6(3) . . ?
C6 C1 C2 120.4(4) . . ?
C3 C2 C1 118.6(4) . . ?
C3 C2 C9 117.0(3) . . ?
C1 C2 C9 124.4(3) . . ?
C2 C3 C4 121.9(4) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 H3 119.0 . . ?
C5 C4 C3 118.8(4) . . ?
C5 C4 C10 123.7(4) . . ?
C3 C4 C10 117.5(3) . . ?
C4 C5 C6 121.0(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 119.2(4) . . ?
C5 C6 H6 120.4 . . ?
C1 C6 H6 120.4 . . ?
O1 C7 C8 108.0(3) . . ?
O1 C7 H7A 110.1 . . ?
C8 C7 H7A 110.1 . . ?
O1 C7 H7B 110.1 . . ?
C8 C7 H7B 110.1 . . ?
H7A C7 H7B 108.4 . . ?
O2 C8 O3 124.9(4) . . ?
O2 C8 C7 116.9(3) . . ?
O3 C8 C7 118.1(3) . . ?
O5 C9 O4 118.2(3) . . ?
O5 C9 C2 120.7(3) . . ?
O4 C9 C2 121.1(3) . . ?
O7 C10 O6 125.0(3) . . ?
O7 C10 C4 118.3(3) . . ?
O6 C10 C4 116.6(3) . . ?
C16 C11 O8 123.3(3) . . ?
C16 C11 C12 120.9(4) . . ?
O8 C11 C12 115.8(3) . . ?
C13 C12 C11 118.5(4) . . ?
C13 C12 C19 119.3(3) . . ?
C11 C12 C19 121.9(3) . . ?
C12 C13 C14 121.3(4) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C15 C14 C13 118.8(4) . . ?
C15 C14 C20 119.8(4) . . ?
C13 C14 C20 121.3(4) . . ?
C16 C15 C14 121.2(4) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C15 C16 C11 119.3(4) . . ?
C15 C16 H16 120.3 . . ?
C11 C16 H16 120.3 . . ?
O8 C17 C18 111.4(3) . . ?
O8 C17 H17A 109.4 . . ?
C18 C17 H17A 109.4 . . ?
O8 C17 H17B 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
O9 C18 O10 125.9(4) . . ?
O9 C18 C17 118.2(3) . . ?
O10 C18 C17 115.9(3) . . ?
O12 C19 O11 122.9(4) . . ?
O12 C19 C12 120.3(3) . . ?
O11 C19 C12 116.8(3) . . ?
O14 C20 O13 124.5(4) . . ?
O14 C20 C14 118.1(4) . . ?
O13 C20 C14 117.4(3) . . ?
C1 O1 C7 119.0(3) . . ?
C1 O1 Pr1 123.2(2) . . ?
C7 O1 Pr1 115.5(2) . . ?
C8 O2 Co2 121.6(2) . . ?
C8 O3 Pr1 125.1(2) . . ?
C9 O4 Co1 94.3(2) . . ?
C9 O4 Pr1 124.7(2) . . ?
Co1 O4 Pr1 108.32(10) . . ?
C9 O5 Co1 86.9(2) . . ?
C10 O6 Pr1 146.8(2) . 4_575 ?
C10 O7 Co1 120.1(2) . 4_575 ?
C11 O8 C17 116.0(3) . . ?
C11 O8 Pr1 111.9(2) . . ?
C17 O8 Pr1 109.17(19) . . ?
C18 O10 Co1 133.3(3) . . ?
C18 O10 Pr1 122.4(2) . . ?
Co1 O10 Pr1 103.22(10) . . ?
C19 O11 Pr1 134.0(2) . . ?
C20 O13 Pr1 139.8(3) . 4_576 ?
Co1 O15 H15A 121.5 . . ?
Co1 O15 H15B 114.5 . . ?
H15A O15 H15B 120.5 . . ?
Co1 O16 H16A 120.8 . . ?
Co1 O16 H16B 112.6 . . ?
H16A O16 H16B 118.9 . . ?
Pr1 O17 H17C 110.5 . . ?
Pr1 O17 H17D 116.0 . . ?
H17C O17 H17D 111.5 . . ?
Co2 O18 H18B 131.2 . . ?
Co2 O18 H18A 103.4 . . ?
H18B O18 H18A 113.3 . . ?
Co2 O19 H19A 110.5 . . ?
Co2 O19 H19B 117.1 . . ?
H19A O19 H19B 115.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 -173.9(3) . . . . ?
C6 C1 C2 C3 3.2(6) . . . . ?
O1 C1 C2 C9 3.5(6) . . . . ?
C6 C1 C2 C9 -179.3(4) . . . . ?
C1 C2 C3 C4 -2.4(6) . . . . ?
C9 C2 C3 C4 180.0(3) . . . . ?
C2 C3 C4 C5 -0.1(6) . . . . ?
C2 C3 C4 C10 -178.6(3) . . . . ?
C3 C4 C5 C6 1.8(6) . . . . ?
C10 C4 C5 C6 -179.9(3) . . . . ?
C4 C5 C6 C1 -0.9(6) . . . . ?
O1 C1 C6 C5 175.4(3) . . . . ?
C2 C1 C6 C5 -1.6(6) . . . . ?
O1 C7 C8 O2 -179.0(3) . . . . ?
O1 C7 C8 O3 3.6(5) . . . . ?
C3 C2 C9 O5 -3.3(5) . . . . ?
C1 C2 C9 O5 179.2(4) . . . . ?
C3 C2 C9 O4 174.9(3) . . . . ?
C1 C2 C9 O4 -2.5(6) . . . . ?
C5 C4 C10 O7 -10.9(5) . . . . ?
C3 C4 C10 O7 167.5(3) . . . . ?
C5 C4 C10 O6 172.5(3) . . . . ?
C3 C4 C10 O6 -9.1(5) . . . . ?
C16 C11 C12 C13 -0.1(5) . . . . ?
O8 C11 C12 C13 179.8(3) . . . . ?
C16 C11 C12 C19 -174.0(3) . . . . ?
O8 C11 C12 C19 5.9(5) . . . . ?
C11 C12 C13 C14 -0.9(6) . . . . ?
C19 C12 C13 C14 173.2(3) . . . . ?
C12 C13 C14 C15 1.1(6) . . . . ?
C12 C13 C14 C20 -175.5(4) . . . . ?
C13 C14 C15 C16 -0.4(6) . . . . ?
C20 C14 C15 C16 176.3(4) . . . . ?
C14 C15 C16 C11 -0.6(6) . . . . ?
O8 C11 C16 C15 -179.1(3) . . . . ?
C12 C11 C16 C15 0.9(6) . . . . ?
O8 C17 C18 O9 -160.8(3) . . . . ?
O8 C17 C18 O10 19.4(5) . . . . ?
C13 C12 C19 O12 57.2(5) . . . . ?
C11 C12 C19 O12 -129.0(4) . . . . ?
C13 C12 C19 O11 -121.3(4) . . . . ?
C11 C12 C19 O11 52.5(5) . . . . ?
C15 C14 C20 O14 11.7(6) . . . . ?
C13 C14 C20 O14 -171.7(4) . . . . ?
C15 C14 C20 O13 -166.8(4) . . . . ?
C13 C14 C20 O13 9.8(5) . . . . ?
C6 C1 O1 C7 29.9(5) . . . . ?
C2 C1 O1 C7 -153.0(3) . . . . ?
C6 C1 O1 Pr1 -132.1(3) . . . . ?
C2 C1 O1 Pr1 45.0(4) . . . . ?
C8 C7 O1 C1 168.5(3) . . . . ?
C8 C7 O1 Pr1 -28.2(4) . . . . ?
O13 Pr1 O1 C1 25.8(3) 4_575 . . . ?
O6 Pr1 O1 C1 -112.7(3) 4_576 . . . ?
O3 Pr1 O1 C1 -167.7(3) . . . . ?
O11 Pr1 O1 C1 148.1(3) . . . . ?
O4 Pr1 O1 C1 -62.3(3) . . . . ?
O17 Pr1 O1 C1 101.7(3) . . . . ?
O10 Pr1 O1 C1 -34.0(3) . . . . ?
O8 Pr1 O1 C1 46.3(4) . . . . ?
O13 Pr1 O1 C7 -136.7(3) 4_575 . . . ?
O6 Pr1 O1 C7 84.7(2) 4_576 . . . ?
O3 Pr1 O1 C7 29.7(2) . . . . ?
O11 Pr1 O1 C7 -14.5(3) . . . . ?
O4 Pr1 O1 C7 135.2(3) . . . . ?
O17 Pr1 O1 C7 -60.9(2) . . . . ?
O10 Pr1 O1 C7 163.5(2) . . . . ?
O8 Pr1 O1 C7 -116.2(3) . . . . ?
O3 C8 O2 Co2 23.5(5) . . . . ?
C7 C8 O2 Co2 -153.8(3) . . . . ?
O18 Co2 O2 C8 141.3(3) 3_677 . . . ?
O18 Co2 O2 C8 -38.7(3) . . . . ?
O19 Co2 O2 C8 -126.9(3) . . . . ?
O19 Co2 O2 C8 53.1(3) 3_677 . . . ?
O2 Co2 O2 C8 54(100) 3_677 . . . ?
O2 C8 O3 Pr1 -149.1(3) . . . . ?
C7 C8 O3 Pr1 28.1(5) . . . . ?
O13 Pr1 O3 C8 -11.6(3) 4_575 . . . ?
O6 Pr1 O3 C8 -162.7(3) 4_576 . . . ?
O11 Pr1 O3 C8 109.9(3) . . . . ?
O4 Pr1 O3 C8 -88.7(3) . . . . ?
O17 Pr1 O3 C8 41.7(3) . . . . ?
O10 Pr1 O3 C8 -130.5(3) . . . . ?
O1 Pr1 O3 C8 -31.1(3) . . . . ?
O8 Pr1 O3 C8 128.3(3) . . . . ?
O5 C9 O4 Co1 8.7(4) . . . . ?
C2 C9 O4 Co1 -169.6(3) . . . . ?
O5 C9 O4 Pr1 124.6(3) . . . . ?
C2 C9 O4 Pr1 -53.7(4) . . . . ?
O15 Co1 O4 C9 35.3(3) . . . . ?
O16 Co1 O4 C9 -83.2(2) . . . . ?
O7 Co1 O4 C9 -177.0(2) 4_576 . . . ?
O10 Co1 O4 C9 103.9(2) . . . . ?
O5 Co1 O4 C9 -4.9(2) . . . . ?
O15 Co1 O4 Pr1 -93.53(17) . . . . ?
O16 Co1 O4 Pr1 147.97(11) . . . . ?
O7 Co1 O4 Pr1 54.17(13) 4_576 . . . ?
O10 Co1 O4 Pr1 -24.90(10) . . . . ?
O5 Co1 O4 Pr1 -133.69(15) . . . . ?
O13 Pr1 O4 C9 -14.6(3) 4_575 . . . ?
O6 Pr1 O4 C9 -159.7(3) 4_576 . . . ?
O3 Pr1 O4 C9 122.7(3) . . . . ?
O11 Pr1 O4 C9 166.2(3) . . . . ?
O17 Pr1 O4 C9 46.1(3) . . . . ?
O10 Pr1 O4 C9 -86.2(3) . . . . ?
O1 Pr1 O4 C9 65.9(3) . . . . ?
O8 Pr1 O4 C9 -85.8(3) . . . . ?
O13 Pr1 O4 Co1 94.43(12) 4_575 . . . ?
O6 Pr1 O4 Co1 -50.68(11) 4_576 . . . ?
O3 Pr1 O4 Co1 -128.26(12) . . . . ?
O11 Pr1 O4 Co1 -84.7(2) . . . . ?
O17 Pr1 O4 Co1 155.17(10) . . . . ?
O10 Pr1 O4 Co1 22.87(10) . . . . ?
O1 Pr1 O4 Co1 174.90(14) . . . . ?
O8 Pr1 O4 Co1 23.22(15) . . . . ?
O4 C9 O5 Co1 -8.0(3) . . . . ?
C2 C9 O5 Co1 170.3(3) . . . . ?
O15 Co1 O5 C9 -150.5(2) . . . . ?
O16 Co1 O5 C9 108.9(2) . . . . ?
O7 Co1 O5 C9 40.2(6) 4_576 . . . ?
O4 Co1 O5 C9 5.0(2) . . . . ?
O10 Co1 O5 C9 -63.5(2) . . . . ?
O7 C10 O6 Pr1 37.9(6) . . . 4_575 ?
C4 C10 O6 Pr1 -145.7(3) . . . 4_575 ?
O6 C10 O7 Co1 -1.2(5) . . . 4_575 ?
C4 C10 O7 Co1 -177.5(2) . . . 4_575 ?
C16 C11 O8 C17 -13.2(5) . . . . ?
C12 C11 O8 C17 166.8(3) . . . . ?
C16 C11 O8 Pr1 113.0(3) . . . . ?
C12 C11 O8 Pr1 -66.9(3) . . . . ?
C18 C17 O8 C11 83.6(4) . . . . ?
C18 C17 O8 Pr1 -44.0(3) . . . . ?
O13 Pr1 O8 C11 -166.3(2) 4_575 . . . ?
O6 Pr1 O8 C11 -25.4(2) 4_576 . . . ?
O3 Pr1 O8 C11 40.6(3) . . . . ?
O11 Pr1 O8 C11 59.6(2) . . . . ?
O4 Pr1 O8 C11 -93.1(2) . . . . ?
O17 Pr1 O8 C11 122.1(2) . . . . ?
O10 Pr1 O8 C11 -92.8(2) . . . . ?
O1 Pr1 O8 C11 173.2(2) . . . . ?
O13 Pr1 O8 C17 -36.5(2) 4_575 . . . ?
O6 Pr1 O8 C17 104.5(2) 4_576 . . . ?
O3 Pr1 O8 C17 170.5(2) . . . . ?
O11 Pr1 O8 C17 -170.5(2) . . . . ?
O4 Pr1 O8 C17 36.7(2) . . . . ?
O17 Pr1 O8 C17 -108.1(2) . . . . ?
O10 Pr1 O8 C17 37.1(2) . . . . ?
O1 Pr1 O8 C17 -56.9(3) . . . . ?
O9 C18 O10 Co1 5.6(6) . . . . ?
C17 C18 O10 Co1 -174.6(2) . . . . ?
O9 C18 O10 Pr1 -160.4(3) . . . . ?
C17 C18 O10 Pr1 19.4(4) . . . . ?
O15 Co1 O10 C18 -1.2(4) . . . . ?
O16 Co1 O10 C18 157.0(7) . . . . ?
O7 Co1 O10 C18 104.0(4) 4_576 . . . ?
O4 Co1 O10 C18 -144.5(4) . . . . ?
O5 Co1 O10 C18 -88.6(4) . . . . ?
O15 Co1 O10 Pr1 166.65(12) . . . . ?
O16 Co1 O10 Pr1 -35.1(8) . . . . ?
O7 Co1 O10 Pr1 -88.10(11) 4_576 . . . ?
O4 Co1 O10 Pr1 23.42(10) . . . . ?
O5 Co1 O10 Pr1 79.28(11) . . . . ?
O13 Pr1 O10 C18 56.3(3) 4_575 . . . ?
O6 Pr1 O10 C18 -129.5(3) 4_576 . . . ?
O3 Pr1 O10 C18 -163.6(3) . . . . ?
O11 Pr1 O10 C18 -61.8(3) . . . . ?
O4 Pr1 O10 C18 148.1(3) . . . . ?
O17 Pr1 O10 C18 28.2(3) . . . . ?
O1 Pr1 O10 C18 120.3(3) . . . . ?
O8 Pr1 O10 C18 -31.6(3) . . . . ?
O13 Pr1 O10 Co1 -113.23(12) 4_575 . . . ?
O6 Pr1 O10 Co1 60.92(11) 4_576 . . . ?
O3 Pr1 O10 Co1 26.83(18) . . . . ?
O11 Pr1 O10 Co1 128.64(11) . . . . ?
O4 Pr1 O10 Co1 -21.47(9) . . . . ?
O17 Pr1 O10 Co1 -141.41(11) . . . . ?
O1 Pr1 O10 Co1 -49.24(13) . . . . ?
O8 Pr1 O10 Co1 158.86(14) . . . . ?
O12 C19 O11 Pr1 146.5(3) . . . . ?
C12 C19 O11 Pr1 -35.0(5) . . . . ?
O13 Pr1 O11 C19 -69.3(4) 4_575 . . . ?
O6 Pr1 O11 C19 76.9(3) 4_576 . . . ?
O3 Pr1 O11 C19 155.6(4) . . . . ?
O4 Pr1 O11 C19 109.7(4) . . . . ?
O17 Pr1 O11 C19 -117.1(4) . . . . ?
O10 Pr1 O11 C19 17.0(4) . . . . ?
O1 Pr1 O11 C19 -165.2(3) . . . . ?
O8 Pr1 O11 C19 -11.4(3) . . . . ?
O14 C20 O13 Pr1 -23.5(7) . . . 4_576 ?
C14 C20 O13 Pr1 154.9(3) . . . 4_576 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.602
_refine_diff_density_min         -0.965
_refine_diff_density_rms         0.131
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_p100918h
_database_code_depnum_ccdc_archive 'CCDC 1045472'
_audit_update_record             
;
2015-01-25 deposited with the CCDC.
2015-09-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H20 Co1.50 O19 Tb'
_chemical_formula_weight         811.68

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'
Co Co 0.3494 0.9721 '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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   p21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   7.4467(6)
_cell_length_b                   19.0044(16)
_cell_length_c                   17.9394(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.838(8)
_cell_angle_gamma                90.00
_cell_volume                     2442.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3305
_cell_measurement_theta_min      2.4419
_cell_measurement_theta_max      26.8562

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.207
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1590
_exptl_absorpt_coefficient_mu    3.976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6919
_exptl_absorpt_correction_T_max  0.8572
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.2116
_diffrn_standards_number         3908
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8366
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0827
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.45
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4139
_reflns_number_gt                3064
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0175P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4139
_refine_ls_number_parameters     376
_refine_ls_number_restraints     234
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0346
_refine_ls_wR_factor_ref         0.0634
_refine_ls_wR_factor_gt          0.0595
_refine_ls_goodness_of_fit_ref   0.914
_refine_ls_restrained_S_all      0.902
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Tb1 Tb 0.32668(4) 0.189557(15) 0.862643(14) 0.00644(8) Uani 1 1 d . . .
Co1 Co 0.13871(10) 0.36003(4) 0.78212(4) 0.00655(18) Uani 1 1 d . . .
Co2 Co 0.0000 0.0000 1.0000 0.0059(2) Uani 1 2 d S . .
C1 C 0.1189(7) 0.1258(3) 0.6703(3) 0.0056(12) Uani 1 1 d U . .
C2 C 0.1185(7) 0.1947(3) 0.6446(3) 0.0050(12) Uani 1 1 d U . .
C3 C 0.1333(7) 0.2063(3) 0.5697(3) 0.0053(12) Uani 1 1 d U . .
H3 H 0.1358 0.2522 0.5519 0.006 Uiso 1 1 calc R . .
C4 C 0.1443(7) 0.1507(3) 0.5217(3) 0.0061(12) Uani 1 1 d U . .
C5 C 0.1381(7) 0.0827(3) 0.5466(3) 0.0096(13) Uani 1 1 d U . .
H5 H 0.1426 0.0454 0.5135 0.012 Uiso 1 1 calc R . .
C6 C 0.1247(7) 0.0692(3) 0.6221(3) 0.0124(14) Uani 1 1 d U . .
H6 H 0.1199 0.0232 0.6393 0.015 Uiso 1 1 calc R . .
C7 C 0.0370(8) 0.0554(3) 0.7681(3) 0.0111(14) Uani 1 1 d U . .
H7A H 0.1149 0.0146 0.7675 0.013 Uiso 1 1 calc R . .
H7B H -0.0842 0.0473 0.7319 0.013 Uiso 1 1 calc R . .
C8 C 0.0164(7) 0.0672(3) 0.8488(3) 0.0067(12) Uani 1 1 d U . .
C9 C 0.1059(7) 0.2565(3) 0.6912(3) 0.0065(13) Uani 1 1 d U . .
C10 C 0.1589(7) 0.1686(3) 0.4416(3) 0.0055(13) Uani 1 1 d U . .
C11 C 0.6278(7) 0.2731(3) 1.0162(3) 0.0074(13) Uani 1 1 d U . .
C12 C 0.5959(7) 0.2242(3) 1.0708(3) 0.0062(13) Uani 1 1 d U . .
C13 C 0.5811(7) 0.2504(3) 1.1409(3) 0.0070(13) Uani 1 1 d U . .
H13 H 0.5602 0.2191 1.1775 0.008 Uiso 1 1 calc R . .
C14 C 0.5959(7) 0.3213(3) 1.1586(3) 0.0093(13) Uani 1 1 d U . .
C15 C 0.6300(7) 0.3675(3) 1.1040(3) 0.0070(13) Uani 1 1 d U . .
H15 H 0.6423 0.4154 1.1152 0.008 Uiso 1 1 calc R . .
C16 C 0.6460(7) 0.3437(3) 1.0328(3) 0.0100(13) Uani 1 1 d U . .
H16 H 0.6687 0.3752 0.9968 0.012 Uiso 1 1 calc R . .
C17 C 0.7190(7) 0.2882(3) 0.8981(3) 0.0073(13) Uani 1 1 d U . .
H17A H 0.7737 0.2595 0.8653 0.009 Uiso 1 1 calc R . .
H17B H 0.8170 0.3170 0.9306 0.009 Uiso 1 1 calc R . .
C18 C 0.5697(8) 0.3350(3) 0.8482(3) 0.0085(13) Uani 1 1 d U . .
C19 C 0.5570(7) 0.1494(3) 1.0503(3) 0.0053(12) Uani 1 1 d U . .
C20 C 0.5618(8) 0.3500(3) 1.2313(3) 0.0119(14) Uani 1 1 d U . .
O1 O 0.1209(5) 0.11688(19) 0.74676(19) 0.0089(9) Uani 1 1 d U . .
O2 O -0.0604(5) 0.0190(2) 0.87723(19) 0.0093(9) Uani 1 1 d U . .
O3 O 0.0788(5) 0.1231(2) 0.88300(19) 0.0081(9) Uani 1 1 d U . .
O4 O 0.1024(5) 0.25103(19) 0.76220(18) 0.0066(9) Uani 1 1 d U . .
O5 O 0.1050(5) 0.3177(2) 0.6634(2) 0.0117(9) Uani 1 1 d U . .
O6 O 0.1897(5) 0.23196(19) 0.42943(19) 0.0074(9) Uani 1 1 d U . .
O7 O 0.1299(5) 0.1204(2) 0.39171(19) 0.0087(9) Uani 1 1 d U . .
O8 O 0.6412(5) 0.24327(19) 0.94626(19) 0.0103(9) Uani 1 1 d U . .
O9 O 0.6171(5) 0.3896(2) 0.8207(2) 0.0143(9) Uani 1 1 d U . .
O10 O 0.4051(5) 0.3134(2) 0.83789(19) 0.0070(8) Uani 1 1 d U . .
O11 O 0.4317(5) 0.13621(19) 0.98836(19) 0.0081(9) Uani 1 1 d U . .
O12 O 0.6437(5) 0.10222(19) 1.09529(19) 0.0087(9) Uani 1 1 d U . .
O13 O 0.4961(5) 0.3072(2) 1.27185(19) 0.0095(9) Uani 1 1 d U . .
O14 O 0.6000(6) 0.4123(2) 1.2470(2) 0.0194(10) Uani 1 1 d U . .
O15 O 0.2849(5) 0.00048(19) 1.00284(18) 0.0085(9) Uani 1 1 d U . .
H15A H 0.3167 -0.0310 0.9733 0.010 Uiso 1 1 d R . .
H15B H 0.3355 0.0410 1.0022 0.010 Uiso 1 1 d R . .
O16 O 0.0049(5) 0.10605(19) 1.02227(19) 0.0097(9) Uani 1 1 d U . .
H16A H 0.0408 0.1232 0.9842 0.012 Uiso 1 1 d R . .
H16B H 0.0548 0.1226 1.0671 0.012 Uiso 1 1 d R . .
O17 O 0.4561(5) 0.0730(2) 0.8613(2) 0.0133(9) Uani 1 1 d U . .
H17C H 0.5282 0.0502 0.9014 0.016 Uiso 1 1 d R . .
H17D H 0.5017 0.0692 0.8206 0.016 Uiso 1 1 d R . .
O18 O -0.1285(5) 0.39268(19) 0.74062(19) 0.0085(9) Uani 1 1 d U . .
H18A H -0.1930 0.3866 0.6928 0.010 Uiso 1 1 d R . .
H18B H -0.1912 0.3885 0.7745 0.010 Uiso 1 1 d R . .
O19 O 0.2744(5) 0.44214(19) 0.75430(19) 0.0132(9) Uani 1 1 d U . .
H19A H 0.2220 0.4620 0.7098 0.016 Uiso 1 1 d R . .
H19B H 0.3924 0.4514 0.7717 0.016 Uiso 1 1 d R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O6 2.317(3) 4_566 ?
Tb1 O13 2.317(3) 4_565 ?
Tb1 O3 2.346(4) . ?
Tb1 O4 2.400(3) . ?
Tb1 O11 2.401(3) . ?
Tb1 O17 2.419(4) . ?
Tb1 O10 2.493(4) . ?
Tb1 O1 2.615(4) . ?
Tb1 O8 2.619(4) . ?
Co1 O19 1.995(4) . ?
Co1 O7 2.020(3) 4_566 ?
Co1 O18 2.022(3) . ?
Co1 O4 2.107(4) . ?
Co1 O10 2.154(3) . ?
Co1 O5 2.226(4) . ?
Co2 O16 2.053(4) . ?
Co2 O16 2.053(4) 3_557 ?
Co2 O15 2.109(3) 3_557 ?
Co2 O15 2.109(3) . ?
Co2 O2 2.155(3) 3_557 ?
Co2 O2 2.155(3) . ?
C1 O1 1.377(6) . ?
C1 C2 1.388(7) . ?
C1 C6 1.390(7) . ?
C2 C3 1.395(6) . ?
C2 C9 1.459(7) . ?
C3 C4 1.381(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.372(7) . ?
C4 C10 1.509(7) . ?
C5 C6 1.408(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 O1 1.426(6) . ?
C7 C8 1.515(7) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O3 1.250(6) . ?
C8 O2 1.258(6) . ?
C9 O5 1.264(6) . ?
C9 O4 1.285(5) . ?
C10 O6 1.256(6) . ?
C10 O7 1.258(6) . ?
C11 C16 1.372(7) . ?
C11 O8 1.405(6) . ?
C11 C12 1.416(7) . ?
C12 C13 1.385(7) . ?
C12 C19 1.476(7) . ?
C13 C14 1.382(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.390(7) . ?
C14 C20 1.499(7) . ?
C15 C16 1.391(7) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 O8 1.443(6) . ?
C17 C18 1.512(7) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 O9 1.241(6) . ?
C18 O10 1.258(6) . ?
C19 O12 1.260(6) . ?
C19 O11 1.266(6) . ?
C20 O14 1.232(7) . ?
C20 O13 1.275(6) . ?
O6 Tb1 2.317(3) 4_565 ?
O7 Co1 2.020(3) 4_565 ?
O13 Tb1 2.317(3) 4_566 ?
O15 H15A 0.8744 . ?
O15 H15B 0.8581 . ?
O16 H16A 0.8628 . ?
O16 H16B 0.8497 . ?
O17 H17C 0.8831 . ?
O17 H17D 0.8892 . ?
O18 H18A 0.8690 . ?
O18 H18B 0.8662 . ?
O19 H19A 0.8729 . ?
O19 H19B 0.8668 . ?

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
_geom_angle_publ_flag
O6 Tb1 O13 138.38(13) 4_566 4_565 ?
O6 Tb1 O3 77.88(12) 4_566 . ?
O13 Tb1 O3 136.54(12) 4_565 . ?
O6 Tb1 O4 76.14(12) 4_566 . ?
O13 Tb1 O4 81.97(12) 4_565 . ?
O3 Tb1 O4 87.89(12) . . ?
O6 Tb1 O11 82.10(12) 4_566 . ?
O13 Tb1 O11 124.84(12) 4_565 . ?
O3 Tb1 O11 72.22(12) . . ?
O4 Tb1 O11 153.19(12) . . ?
O6 Tb1 O17 145.85(12) 4_566 . ?
O13 Tb1 O17 73.88(12) 4_565 . ?
O3 Tb1 O17 80.84(12) . . ?
O4 Tb1 O17 129.51(12) . . ?
O11 Tb1 O17 66.04(11) . . ?
O6 Tb1 O10 69.03(11) 4_566 . ?
O13 Tb1 O10 69.58(12) 4_565 . ?
O3 Tb1 O10 140.22(12) . . ?
O4 Tb1 O10 63.62(11) . . ?
O11 Tb1 O10 122.27(11) . . ?
O17 Tb1 O10 138.53(11) . . ?
O6 Tb1 O1 120.40(12) 4_566 . ?
O13 Tb1 O1 76.60(11) 4_565 . ?
O3 Tb1 O1 61.59(11) . . ?
O4 Tb1 O1 61.54(11) . . ?
O11 Tb1 O1 119.59(12) . . ?
O17 Tb1 O1 69.94(11) . . ?
O10 Tb1 O1 118.15(11) . . ?
O6 Tb1 O8 84.49(12) 4_566 . ?
O13 Tb1 O8 79.58(11) 4_565 . ?
O3 Tb1 O8 137.67(11) . . ?
O4 Tb1 O8 124.80(12) . . ?
O11 Tb1 O8 67.39(11) . . ?
O17 Tb1 O8 93.79(12) . . ?
O10 Tb1 O8 61.17(11) . . ?
O1 Tb1 O8 154.09(11) . . ?
O19 Co1 O7 104.62(15) . 4_566 ?
O19 Co1 O18 100.50(15) . . ?
O7 Co1 O18 90.67(14) 4_566 . ?
O19 Co1 O4 140.99(14) . . ?
O7 Co1 O4 108.04(14) 4_566 . ?
O18 Co1 O4 99.87(14) . . ?
O19 Co1 O10 88.46(15) . . ?
O7 Co1 O10 83.93(13) 4_566 . ?
O18 Co1 O10 170.49(14) . . ?
O4 Co1 O10 74.54(14) . . ?
O19 Co1 O5 88.62(14) . . ?
O7 Co1 O5 166.65(15) 4_566 . ?
O18 Co1 O5 85.19(14) . . ?
O4 Co1 O5 60.43(13) . . ?
O10 Co1 O5 98.31(13) . . ?
O16 Co2 O16 180.00(4) . 3_557 ?
O16 Co2 O15 88.47(14) . 3_557 ?
O16 Co2 O15 91.53(14) 3_557 3_557 ?
O16 Co2 O15 91.53(14) . . ?
O16 Co2 O15 88.47(14) 3_557 . ?
O15 Co2 O15 180.000(1) 3_557 . ?
O16 Co2 O2 88.75(14) . 3_557 ?
O16 Co2 O2 91.25(14) 3_557 3_557 ?
O15 Co2 O2 87.24(13) 3_557 3_557 ?
O15 Co2 O2 92.76(13) . 3_557 ?
O16 Co2 O2 91.25(14) . . ?
O16 Co2 O2 88.75(14) 3_557 . ?
O15 Co2 O2 92.76(13) 3_557 . ?
O15 Co2 O2 87.24(13) . . ?
O2 Co2 O2 180.00(5) 3_557 . ?
O1 C1 C2 116.5(5) . . ?
O1 C1 C6 122.0(5) . . ?
C2 C1 C6 121.4(5) . . ?
C1 C2 C3 118.4(5) . . ?
C1 C2 C9 124.3(4) . . ?
C3 C2 C9 117.3(5) . . ?
C4 C3 C2 120.9(5) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C5 C4 C3 120.3(5) . . ?
C5 C4 C10 122.7(5) . . ?
C3 C4 C10 116.9(5) . . ?
C4 C5 C6 120.1(5) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C1 C6 C5 118.7(5) . . ?
C1 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
O1 C7 C8 107.5(4) . . ?
O1 C7 H7A 110.2 . . ?
C8 C7 H7A 110.2 . . ?
O1 C7 H7B 110.2 . . ?
C8 C7 H7B 110.2 . . ?
H7A C7 H7B 108.5 . . ?
O3 C8 O2 124.6(5) . . ?
O3 C8 C7 118.3(5) . . ?
O2 C8 C7 117.1(5) . . ?
O5 C9 O4 117.7(5) . . ?
O5 C9 C2 120.6(5) . . ?
O4 C9 C2 121.6(5) . . ?
O6 C10 O7 125.4(5) . . ?
O6 C10 C4 116.5(5) . . ?
O7 C10 C4 118.0(5) . . ?
C16 C11 O8 124.1(5) . . ?
C16 C11 C12 121.1(5) . . ?
O8 C11 C12 114.8(5) . . ?
C13 C12 C11 117.5(5) . . ?
C13 C12 C19 120.9(5) . . ?
C11 C12 C19 121.2(5) . . ?
C14 C13 C12 122.6(5) . . ?
C14 C13 H13 118.7 . . ?
C12 C13 H13 118.7 . . ?
C13 C14 C15 118.2(5) . . ?
C13 C14 C20 122.3(5) . . ?
C15 C14 C20 119.4(5) . . ?
C14 C15 C16 121.2(5) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C11 C16 C15 119.3(5) . . ?
C11 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
O8 C17 C18 110.6(4) . . ?
O8 C17 H17A 109.5 . . ?
C18 C17 H17A 109.5 . . ?
O8 C17 H17B 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
O9 C18 O10 125.9(5) . . ?
O9 C18 C17 119.0(5) . . ?
O10 C18 C17 115.1(5) . . ?
O12 C19 O11 123.1(5) . . ?
O12 C19 C12 119.6(5) . . ?
O11 C19 C12 117.2(5) . . ?
O14 C20 O13 125.7(5) . . ?
O14 C20 C14 117.8(5) . . ?
O13 C20 C14 116.5(5) . . ?
C1 O1 C7 118.8(4) . . ?
C1 O1 Tb1 124.8(3) . . ?
C7 O1 Tb1 115.1(3) . . ?
C8 O2 Co2 123.0(3) . . ?
C8 O3 Tb1 125.7(3) . . ?
C9 O4 Co1 93.0(3) . . ?
C9 O4 Tb1 125.8(3) . . ?
Co1 O4 Tb1 108.69(14) . . ?
C9 O5 Co1 88.2(3) . . ?
C10 O6 Tb1 146.5(3) . 4_565 ?
C10 O7 Co1 120.9(3) . 4_565 ?
C11 O8 C17 115.7(4) . . ?
C11 O8 Tb1 113.5(3) . . ?
C17 O8 Tb1 109.3(3) . . ?
C18 O10 Co1 132.1(4) . . ?
C18 O10 Tb1 123.2(3) . . ?
Co1 O10 Tb1 103.91(14) . . ?
C19 O11 Tb1 135.6(3) . . ?
C20 O13 Tb1 138.8(4) . 4_566 ?
Co2 O15 H15A 114.8 . . ?
Co2 O15 H15B 116.5 . . ?
H15A O15 H15B 114.4 . . ?
Co2 O16 H16A 102.2 . . ?
Co2 O16 H16B 121.9 . . ?
H16A O16 H16B 117.4 . . ?
Tb1 O17 H17C 126.5 . . ?
Tb1 O17 H17D 109.0 . . ?
H17C O17 H17D 110.2 . . ?
Co1 O18 H18A 123.1 . . ?
Co1 O18 H18B 112.2 . . ?
H18A O18 H18B 115.0 . . ?
Co1 O19 H19A 115.9 . . ?
Co1 O19 H19B 127.0 . . ?
H19A O19 H19B 113.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 174.4(4) . . . . ?
C6 C1 C2 C3 -3.1(8) . . . . ?
O1 C1 C2 C9 -4.8(8) . . . . ?
C6 C1 C2 C9 177.7(5) . . . . ?
C1 C2 C3 C4 1.3(8) . . . . ?
C9 C2 C3 C4 -179.5(5) . . . . ?
C2 C3 C4 C5 1.0(8) . . . . ?
C2 C3 C4 C10 179.7(5) . . . . ?
C3 C4 C5 C6 -1.5(8) . . . . ?
C10 C4 C5 C6 179.9(5) . . . . ?
O1 C1 C6 C5 -174.7(5) . . . . ?
C2 C1 C6 C5 2.6(8) . . . . ?
C4 C5 C6 C1 -0.3(8) . . . . ?
O1 C7 C8 O3 -3.0(7) . . . . ?
O1 C7 C8 O2 178.1(5) . . . . ?
C1 C2 C9 O5 -179.5(5) . . . . ?
C3 C2 C9 O5 1.3(8) . . . . ?
C1 C2 C9 O4 3.1(8) . . . . ?
C3 C2 C9 O4 -176.0(5) . . . . ?
C5 C4 C10 O6 -170.3(5) . . . . ?
C3 C4 C10 O6 11.0(7) . . . . ?
C5 C4 C10 O7 13.3(8) . . . . ?
C3 C4 C10 O7 -165.4(5) . . . . ?
C16 C11 C12 C13 0.9(8) . . . . ?
O8 C11 C12 C13 -179.9(4) . . . . ?
C16 C11 C12 C19 173.6(5) . . . . ?
O8 C11 C12 C19 -7.2(7) . . . . ?
C11 C12 C13 C14 0.1(8) . . . . ?
C19 C12 C13 C14 -172.6(5) . . . . ?
C12 C13 C14 C15 -1.0(8) . . . . ?
C12 C13 C14 C20 174.1(5) . . . . ?
C13 C14 C15 C16 1.0(8) . . . . ?
C20 C14 C15 C16 -174.3(5) . . . . ?
O8 C11 C16 C15 179.9(5) . . . . ?
C12 C11 C16 C15 -0.9(8) . . . . ?
C14 C15 C16 C11 0.0(8) . . . . ?
O8 C17 C18 O9 159.3(5) . . . . ?
O8 C17 C18 O10 -21.4(6) . . . . ?
C13 C12 C19 O12 -55.3(7) . . . . ?
C11 C12 C19 O12 132.3(5) . . . . ?
C13 C12 C19 O11 122.6(5) . . . . ?
C11 C12 C19 O11 -49.8(7) . . . . ?
C13 C14 C20 O14 171.4(5) . . . . ?
C15 C14 C20 O14 -13.6(8) . . . . ?
C13 C14 C20 O13 -8.3(8) . . . . ?
C15 C14 C20 O13 166.7(5) . . . . ?
C2 C1 O1 C7 151.0(5) . . . . ?
C6 C1 O1 C7 -31.5(7) . . . . ?
C2 C1 O1 Tb1 -42.6(6) . . . . ?
C6 C1 O1 Tb1 134.8(4) . . . . ?
C8 C7 O1 C1 -166.3(4) . . . . ?
C8 C7 O1 Tb1 26.0(5) . . . . ?
O6 Tb1 O1 C1 111.5(4) 4_566 . . . ?
O13 Tb1 O1 C1 -27.2(4) 4_565 . . . ?
O3 Tb1 O1 C1 165.0(4) . . . . ?
O4 Tb1 O1 C1 60.8(4) . . . . ?
O11 Tb1 O1 C1 -149.9(4) . . . . ?
O17 Tb1 O1 C1 -104.7(4) . . . . ?
O10 Tb1 O1 C1 30.5(4) . . . . ?
O8 Tb1 O1 C1 -50.9(5) . . . . ?
O6 Tb1 O1 C7 -81.7(4) 4_566 . . . ?
O13 Tb1 O1 C7 139.6(4) 4_565 . . . ?
O3 Tb1 O1 C7 -28.2(3) . . . . ?
O4 Tb1 O1 C7 -132.4(4) . . . . ?
O11 Tb1 O1 C7 16.9(4) . . . . ?
O17 Tb1 O1 C7 62.1(3) . . . . ?
O10 Tb1 O1 C7 -162.7(3) . . . . ?
O8 Tb1 O1 C7 115.9(4) . . . . ?
O3 C8 O2 Co2 -27.1(7) . . . . ?
C7 C8 O2 Co2 151.7(4) . . . . ?
O16 Co2 O2 C8 40.9(4) . . . . ?
O16 Co2 O2 C8 -139.1(4) 3_557 . . . ?
O15 Co2 O2 C8 129.5(4) 3_557 . . . ?
O15 Co2 O2 C8 -50.5(4) . . . . ?
O2 Co2 O2 C8 129(67) 3_557 . . . ?
O2 C8 O3 Tb1 151.4(4) . . . . ?
C7 C8 O3 Tb1 -27.3(7) . . . . ?
O6 Tb1 O3 C8 164.7(4) 4_566 . . . ?
O13 Tb1 O3 C8 12.4(5) 4_565 . . . ?
O4 Tb1 O3 C8 88.4(4) . . . . ?
O11 Tb1 O3 C8 -109.8(4) . . . . ?
O17 Tb1 O3 C8 -42.2(4) . . . . ?
O10 Tb1 O3 C8 130.7(4) . . . . ?
O1 Tb1 O3 C8 29.9(4) . . . . ?
O8 Tb1 O3 C8 -127.7(4) . . . . ?
O5 C9 O4 Co1 -8.1(5) . . . . ?
C2 C9 O4 Co1 169.4(4) . . . . ?
O5 C9 O4 Tb1 -123.7(4) . . . . ?
C2 C9 O4 Tb1 53.7(6) . . . . ?
O19 Co1 O4 C9 -37.3(4) . . . . ?
O7 Co1 O4 C9 177.3(3) 4_566 . . . ?
O18 Co1 O4 C9 83.3(3) . . . . ?
O10 Co1 O4 C9 -104.6(3) . . . . ?
O5 Co1 O4 C9 4.6(3) . . . . ?
O19 Co1 O4 Tb1 92.3(2) . . . . ?
O7 Co1 O4 Tb1 -53.20(17) 4_566 . . . ?
O18 Co1 O4 Tb1 -147.17(14) . . . . ?
O10 Co1 O4 Tb1 24.94(13) . . . . ?
O5 Co1 O4 Tb1 134.17(19) . . . . ?
O6 Tb1 O4 C9 158.3(4) 4_566 . . . ?
O13 Tb1 O4 C9 14.0(4) 4_565 . . . ?
O3 Tb1 O4 C9 -123.6(4) . . . . ?
O11 Tb1 O4 C9 -165.0(4) . . . . ?
O17 Tb1 O4 C9 -47.3(4) . . . . ?
O10 Tb1 O4 C9 85.1(4) . . . . ?
O1 Tb1 O4 C9 -65.1(4) . . . . ?
O8 Tb1 O4 C9 85.3(4) . . . . ?
O6 Tb1 O4 Co1 50.13(14) 4_566 . . . ?
O13 Tb1 O4 Co1 -94.21(15) 4_565 . . . ?
O3 Tb1 O4 Co1 128.17(15) . . . . ?
O11 Tb1 O4 Co1 86.8(3) . . . . ?
O17 Tb1 O4 Co1 -155.54(13) . . . . ?
O10 Tb1 O4 Co1 -23.07(12) . . . . ?
O1 Tb1 O4 Co1 -173.27(18) . . . . ?
O8 Tb1 O4 Co1 -22.90(19) . . . . ?
O4 C9 O5 Co1 7.6(5) . . . . ?
C2 C9 O5 Co1 -169.8(5) . . . . ?
O19 Co1 O5 C9 150.4(3) . . . . ?
O7 Co1 O5 C9 -36.6(8) 4_566 . . . ?
O18 Co1 O5 C9 -108.9(3) . . . . ?
O4 Co1 O5 C9 -4.7(3) . . . . ?
O10 Co1 O5 C9 62.2(3) . . . . ?
O7 C10 O6 Tb1 -35.2(10) . . . 4_565 ?
C4 C10 O6 Tb1 148.7(4) . . . 4_565 ?
O6 C10 O7 Co1 2.1(7) . . . 4_565 ?
C4 C10 O7 Co1 178.2(3) . . . 4_565 ?
C16 C11 O8 C17 14.1(7) . . . . ?
C12 C11 O8 C17 -165.1(4) . . . . ?
C16 C11 O8 Tb1 -113.4(5) . . . . ?
C12 C11 O8 Tb1 67.4(5) . . . . ?
C18 C17 O8 C11 -84.5(5) . . . . ?
C18 C17 O8 Tb1 45.0(5) . . . . ?
O6 Tb1 O8 C11 24.4(3) 4_566 . . . ?
O13 Tb1 O8 C11 165.7(3) 4_565 . . . ?
O3 Tb1 O8 C11 -40.9(4) . . . . ?
O4 Tb1 O8 C11 93.3(3) . . . . ?
O11 Tb1 O8 C11 -59.4(3) . . . . ?
O17 Tb1 O8 C11 -121.4(3) . . . . ?
O10 Tb1 O8 C11 93.4(3) . . . . ?
O1 Tb1 O8 C11 -170.9(3) . . . . ?
O6 Tb1 O8 C17 -106.4(3) 4_566 . . . ?
O13 Tb1 O8 C17 35.0(3) 4_565 . . . ?
O3 Tb1 O8 C17 -171.7(3) . . . . ?
O4 Tb1 O8 C17 -37.5(3) . . . . ?
O11 Tb1 O8 C17 169.9(3) . . . . ?
O17 Tb1 O8 C17 107.8(3) . . . . ?
O10 Tb1 O8 C17 -37.4(3) . . . . ?
O1 Tb1 O8 C17 58.3(4) . . . . ?
O9 C18 O10 Co1 -6.8(8) . . . . ?
C17 C18 O10 Co1 174.0(3) . . . . ?
O9 C18 O10 Tb1 162.1(4) . . . . ?
C17 C18 O10 Tb1 -17.2(6) . . . . ?
O19 Co1 O10 C18 2.6(5) . . . . ?
O7 Co1 O10 C18 -102.3(5) 4_566 . . . ?
O18 Co1 O10 C18 -158.0(8) . . . . ?
O4 Co1 O10 C18 147.0(5) . . . . ?
O5 Co1 O10 C18 90.9(5) . . . . ?
O19 Co1 O10 Tb1 -167.81(14) . . . . ?
O7 Co1 O10 Tb1 87.31(15) 4_566 . . . ?
O18 Co1 O10 Tb1 31.6(9) . . . . ?
O4 Co1 O10 Tb1 -23.34(12) . . . . ?
O5 Co1 O10 Tb1 -79.43(14) . . . . ?
O6 Tb1 O10 C18 126.0(4) 4_566 . . . ?
O13 Tb1 O10 C18 -58.5(4) 4_565 . . . ?
O3 Tb1 O10 C18 161.8(4) . . . . ?
O4 Tb1 O10 C18 -149.5(4) . . . . ?
O11 Tb1 O10 C18 60.6(4) . . . . ?
O17 Tb1 O10 C18 -28.8(5) . . . . ?
O1 Tb1 O10 C18 -119.8(4) . . . . ?
O8 Tb1 O10 C18 30.7(4) . . . . ?
O6 Tb1 O10 Co1 -62.50(13) 4_566 . . . ?
O13 Tb1 O10 Co1 113.01(15) 4_565 . . . ?
O3 Tb1 O10 Co1 -26.7(2) . . . . ?
O4 Tb1 O10 Co1 21.97(12) . . . . ?
O11 Tb1 O10 Co1 -127.92(13) . . . . ?
O17 Tb1 O10 Co1 142.71(14) . . . . ?
O1 Tb1 O10 Co1 51.68(16) . . . . ?
O8 Tb1 O10 Co1 -157.87(17) . . . . ?
O12 C19 O11 Tb1 -146.7(4) . . . . ?
C12 C19 O11 Tb1 35.4(7) . . . . ?
O6 Tb1 O11 C19 -76.6(5) 4_566 . . . ?
O13 Tb1 O11 C19 68.8(5) 4_565 . . . ?
O3 Tb1 O11 C19 -156.4(5) . . . . ?
O4 Tb1 O11 C19 -112.4(5) . . . . ?
O17 Tb1 O11 C19 116.0(5) . . . . ?
O10 Tb1 O11 C19 -17.6(5) . . . . ?
O1 Tb1 O11 C19 162.8(4) . . . . ?
O8 Tb1 O11 C19 10.7(4) . . . . ?
O14 C20 O13 Tb1 24.1(9) . . . 4_566 ?
C14 C20 O13 Tb1 -156.2(4) . . . 4_566 ?

_diffrn_measured_fraction_theta_max 0.962
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.962
_refine_diff_density_max         0.652
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.160
