# 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_h-7
_database_code_depnum_ccdc_archive 'CCDC 1027471'
_audit_update_record             
;
2014-10-03 deposited with the CCDC.
2015-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C82 H58 Co N8 O28 Tb4'
_chemical_formula_sum            'C82 H58 Co N8 O28 Tb4'
_chemical_formula_weight         2297.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.6995(15)
_cell_length_b                   13.641(3)
_cell_length_c                   19.040(4)
_cell_angle_alpha                109.24(3)
_cell_angle_beta                 93.49(3)
_cell_angle_gamma                92.70(3)
_cell_volume                     1879.6(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    15964
_cell_measurement_theta_min      2.99
_cell_measurement_theta_max      27.54

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.030
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1117
_exptl_absorpt_coefficient_mu    4.025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4351
_exptl_absorpt_correction_T_max  0.4824
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            18022
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         27.48
_reflns_number_total             8308
_reflns_number_gt                7096
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_cell_refinement       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2002)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXL-97

_refine_special_details          
; 
isor 0.005 c15 c16 c17 c18 c19
 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)+(0.0381P)²+7.6774P] 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         8308
_refine_ls_number_parameters     556
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0330
_refine_ls_wR_factor_ref         0.0924
_refine_ls_wR_factor_gt          0.0866
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.097
_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
C1 C 0.6551(7) 0.1175(4) 0.2315(3) 0.0189(10) Uani 1 1 d . . .
C2 C 0.7787(7) 0.1774(4) 0.2954(3) 0.0200(11) Uani 1 1 d . . .
C3 C 0.9483(8) 0.1564(5) 0.3041(3) 0.0253(12) Uani 1 1 d . . .
H3 H 0.9923 0.0998 0.2693 0.030 Uiso 1 1 calc R . .
C4 C 1.0575(8) 0.2208(5) 0.3662(3) 0.0269(12) Uani 1 1 d . . .
C5 C 1.2354(9) 0.2044(6) 0.3792(4) 0.0400(17) Uani 1 1 d . . .
H5 H 1.2859 0.1497 0.3454 0.048 Uiso 1 1 calc R . .
C6 C 1.3333(10) 0.2684(7) 0.4411(4) 0.049(2) Uani 1 1 d . . .
H6 H 1.4496 0.2565 0.4491 0.059 Uiso 1 1 calc R . .
C7 C 1.2600(11) 0.3518(7) 0.4927(4) 0.050(2) Uani 1 1 d . . .
H7 H 1.3278 0.3947 0.5346 0.060 Uiso 1 1 calc R . .
C8 C 1.0897(10) 0.3703(6) 0.4816(4) 0.0444(18) Uani 1 1 d . . .
H8 H 1.0419 0.4256 0.5162 0.053 Uiso 1 1 calc R . .
C9 C 0.9852(9) 0.3059(5) 0.4178(3) 0.0316(14) Uani 1 1 d . . .
C10 C 0.7172(8) 0.2652(5) 0.3503(3) 0.0289(13) Uani 1 1 d . . .
H10 H 0.6014 0.2794 0.3439 0.035 Uiso 1 1 calc R . .
C11 C 0.2422(7) -0.0745(4) 0.1865(3) 0.0202(11) Uani 1 1 d . . .
C12 C 0.2703(8) -0.0888(5) 0.2600(3) 0.0246(12) Uani 1 1 d . . .
C13 C 0.1342(9) -0.0975(5) 0.3003(3) 0.0301(13) Uani 1 1 d . . .
H13 H 0.0206 -0.0974 0.2808 0.036 Uiso 1 1 calc R . .
C14 C 0.1642(11) -0.1066(5) 0.3720(4) 0.0391(17) Uani 1 1 d . . .
C15 C 0.0268(13) -0.1177(7) 0.4155(4) 0.053(2) Uani 1 1 d U . .
H15 H -0.0886 -0.1195 0.3973 0.064 Uiso 1 1 calc R . .
C16 C 0.0650(14) -0.1260(7) 0.4853(5) 0.062(2) Uani 1 1 d U . .
H16 H -0.0236 -0.1341 0.5145 0.074 Uiso 1 1 calc R . .
C17 C 0.2379(15) -0.1219(7) 0.5103(5) 0.064(2) Uani 1 1 d U . .
H17 H 0.2624 -0.1259 0.5577 0.077 Uiso 1 1 calc R . .
C18 C 0.3752(14) -0.1122(7) 0.4709(5) 0.063(2) Uani 1 1 d U . .
H18 H 0.4891 -0.1105 0.4908 0.076 Uiso 1 1 calc R . .
C19 C 0.3414(11) -0.1049(6) 0.3982(4) 0.0433(17) Uani 1 1 d U . .
C20 C 0.4410(9) -0.0885(6) 0.2922(4) 0.0376(16) Uani 1 1 d . . .
H20 H 0.5334 -0.0827 0.2642 0.045 Uiso 1 1 calc R . .
C21 C 0.5978(7) 0.2703(5) 0.0778(3) 0.0249(12) Uani 1 1 d . . .
C22 C 0.5310(7) 0.3662(5) 0.1319(3) 0.0237(12) Uani 1 1 d . . .
C23 C 0.5008(8) 0.3716(5) 0.2035(3) 0.0282(13) Uani 1 1 d . . .
H23 H 0.5279 0.3172 0.2205 0.034 Uiso 1 1 calc R . .
C24 C 0.4289(8) 0.4596(5) 0.2507(3) 0.0276(13) Uani 1 1 d . . .
C25 C 0.3928(9) 0.4680(6) 0.3247(4) 0.0375(16) Uani 1 1 d . . .
H25 H 0.4180 0.4147 0.3432 0.045 Uiso 1 1 calc R . .
C26 C 0.3213(10) 0.5541(6) 0.3683(4) 0.0421(17) Uani 1 1 d . . .
H26 H 0.2987 0.5598 0.4168 0.051 Uiso 1 1 calc R . .
C27 C 0.2813(10) 0.6346(5) 0.3406(4) 0.0417(17) Uani 1 1 d . . .
H27 H 0.2332 0.6933 0.3713 0.050 Uiso 1 1 calc R . .
C28 C 0.3120(9) 0.6279(5) 0.2693(4) 0.0385(16) Uani 1 1 d . . .
H28 H 0.2841 0.6818 0.2518 0.046 Uiso 1 1 calc R . .
C29 C 0.3859(7) 0.5398(4) 0.2222(4) 0.0264(12) Uani 1 1 d . . .
C30 C 0.4811(8) 0.4500(5) 0.1082(4) 0.0310(13) Uani 1 1 d . . .
H30 H 0.4979 0.4452 0.0592 0.037 Uiso 1 1 calc R . .
C31 C 0.0875(7) 0.2070(4) 0.1343(3) 0.0162(10) Uani 1 1 d . . .
C32 C 0.0308(6) 0.3147(4) 0.1477(3) 0.0153(10) Uani 1 1 d . . .
C33 C -0.0225(7) 0.3711(4) 0.2168(3) 0.0211(11) Uani 1 1 d . . .
H33 H -0.0250 0.3416 0.2544 0.025 Uiso 1 1 calc R . .
C34 C -0.0725(7) 0.4723(4) 0.2301(3) 0.0185(10) Uani 1 1 d . . .
C35 C -0.1340(8) 0.5333(5) 0.2993(3) 0.0275(13) Uani 1 1 d . . .
H35 H -0.1382 0.5064 0.3382 0.033 Uiso 1 1 calc R . .
C36 C -0.1862(9) 0.6300(5) 0.3086(3) 0.0326(14) Uani 1 1 d . . .
H36 H -0.2285 0.6683 0.3535 0.039 Uiso 1 1 calc R . .
C37 C -0.1769(9) 0.6730(5) 0.2506(3) 0.0306(14) Uani 1 1 d . . .
H37 H -0.2101 0.7401 0.2579 0.037 Uiso 1 1 calc R . .
C38 C -0.1198(8) 0.6164(4) 0.1843(3) 0.0268(12) Uani 1 1 d . . .
H38 H -0.1169 0.6450 0.1463 0.032 Uiso 1 1 calc R . .
C39 C -0.0649(7) 0.5160(4) 0.1718(3) 0.0179(10) Uani 1 1 d . . .
C40 C 0.0300(7) 0.3631(4) 0.0927(3) 0.0174(10) Uani 1 1 d . . .
C41 C 0.0791(7) 0.3046(4) 0.0150(3) 0.0170(10) Uani 1 1 d . . .
Co1 Co 0.0000 0.5000 0.0000 0.0189(2) Uani 1 2 d S . .
Tb1 Tb 0.88715(3) -0.037435(18) 0.079043(12) 0.01227(7) Uani 1 1 d . . .
Tb2 Tb 0.42068(3) 0.056382(18) 0.096446(12) 0.01428(7) Uani 1 1 d . . .
N1 N 0.8129(8) 0.3279(5) 0.4095(3) 0.0404(14) Uani 1 1 d . . .
N2 N 0.4797(9) -0.0957(6) 0.3586(4) 0.0527(18) Uani 1 1 d . . .
N3 N 0.4140(7) 0.5326(4) 0.1498(3) 0.0335(12) Uani 1 1 d . . .
N4 N -0.0147(6) 0.4590(3) 0.1029(2) 0.0182(9) Uani 1 1 d . . .
O1 O 0.4979(5) 0.1395(3) 0.2312(2) 0.0245(9) Uani 1 1 d . . .
O2 O 0.7078(5) 0.0445(3) 0.1767(2) 0.0214(8) Uani 1 1 d . . .
O3 O 0.3686(5) -0.0786(3) 0.1473(2) 0.0253(9) Uani 1 1 d . . .
O4 O 0.0907(6) -0.0545(4) 0.1691(2) 0.0335(10) Uani 1 1 d . . .
O5 O 0.6134(5) 0.1935(3) 0.1008(2) 0.0219(8) Uani 1 1 d . . .
O6 O 0.6221(7) 0.2675(4) 0.0135(3) 0.0426(12) Uani 1 1 d . . .
O7 O 0.2477(5) 0.1945(3) 0.1295(3) 0.0310(10) Uani 1 1 d . . .
O8 O -0.0253(5) 0.1369(3) 0.1319(2) 0.0248(8) Uani 1 1 d . . .
O9 O 0.0749(5) 0.2075(3) -0.0035(2) 0.0235(8) Uani 1 1 d . . .
O10 O 0.1211(6) 0.3569(3) -0.0253(2) 0.0268(9) Uani 1 1 d . . .
O11 O 0.5948(4) -0.0701(3) 0.02570(18) 0.0146(7) Uani 1 1 d . . .
H111 H 0.5426 -0.1282 0.0220 0.022 Uiso 1 1 d R . .
O12 O 0.7293(6) -0.1678(3) 0.1311(2) 0.0315(10) Uani 1 1 d . . .
H121 H 0.7388 -0.2307 0.1046 0.047 Uiso 1 1 d R . .
H122 H 0.7780 -0.1557 0.1747 0.047 Uiso 1 1 d R . .
O13 O 0.1596(4) -0.0291(3) 0.02399(18) 0.0154(7) Uani 1 1 d . . .
H131 H 0.1857 -0.0919 0.0068 0.023 Uiso 1 1 d R . .
O14 O 0.2315(6) 0.5883(4) 0.0422(3) 0.0356(11) Uani 1 1 d . . .
H141 H 0.2910 0.5855 0.0805 0.053 Uiso 1 1 d R . .
H142 H 0.2795 0.6333 0.0261 0.053 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
C1 O1 1.261(7) . ?
C1 O2 1.284(6) . ?
C1 C2 1.479(8) . ?
C1 Tb2 2.906(5) . ?
C2 C3 1.362(8) . ?
C2 C10 1.428(8) . ?
C3 C4 1.414(8) . ?
C3 H3 0.9300 . ?
C4 C9 1.414(9) . ?
C4 C5 1.418(9) . ?
C5 C6 1.368(10) . ?
C5 H5 0.9300 . ?
C6 C7 1.403(12) . ?
C6 H6 0.9300 . ?
C7 C8 1.364(11) . ?
C7 H7 0.9300 . ?
C8 C9 1.416(9) . ?
C8 H8 0.9300 . ?
C9 N1 1.384(9) . ?
C10 N1 1.323(8) . ?
C10 H10 0.9300 . ?
C11 O3 1.255(7) . ?
C11 O4 1.260(7) . ?
C11 C12 1.480(7) . ?
C12 C13 1.359(9) . ?
C12 C20 1.415(8) . ?
C13 C14 1.417(8) . ?
C13 H13 0.9300 . ?
C14 C15 1.415(11) . ?
C14 C19 1.420(11) . ?
C15 C16 1.386(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.379(14) . ?
C16 H16 0.9300 . ?
C17 C18 1.359(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.430(10) . ?
C18 H18 0.9300 . ?
C19 N2 1.365(11) . ?
C20 N2 1.318(8) . ?
C20 H20 0.9300 . ?
C21 O6 1.237(7) . ?
C21 O5 1.270(7) . ?
C21 C22 1.509(8) . ?
C22 C23 1.374(9) . ?
C22 C30 1.421(8) . ?
C23 C24 1.402(8) . ?
C23 H23 0.9300 . ?
C24 C29 1.416(8) . ?
C24 C25 1.421(9) . ?
C25 C26 1.359(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.403(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.367(11) . ?
C27 H27 0.9300 . ?
C28 C29 1.410(8) . ?
C28 H28 0.9300 . ?
C29 N3 1.380(8) . ?
C30 N3 1.297(8) . ?
C30 H30 0.9300 . ?
C31 O8 1.248(7) . ?
C31 O7 1.258(6) . ?
C31 C32 1.497(7) . ?
C32 C33 1.386(7) . ?
C32 C40 1.410(7) . ?
C33 C34 1.396(7) . ?
C33 H33 0.9300 . ?
C34 C39 1.425(7) . ?
C34 C35 1.430(7) . ?
C35 C36 1.355(9) . ?
C35 H35 0.9300 . ?
C36 C37 1.416(9) . ?
C36 H36 0.9300 . ?
C37 C38 1.355(8) . ?
C37 H37 0.9300 . ?
C38 C39 1.401(7) . ?
C38 H38 0.9300 . ?
C39 N4 1.375(6) . ?
C40 N4 1.324(7) . ?
C40 C41 1.512(7) . ?
C41 O9 1.252(6) . ?
C41 O10 1.253(6) . ?
Co1 O14 2.064(4) . ?
Co1 O14 2.064(4) 2_565 ?
Co1 O10 2.125(4) 2_565 ?
Co1 O10 2.125(4) . ?
Co1 N4 2.214(4) 2_565 ?
Co1 N4 2.214(4) . ?
Tb1 O8 2.305(4) 1_655 ?
Tb1 O4 2.328(4) 1_655 ?
Tb1 O9 2.334(4) 2_655 ?
Tb1 O11 2.372(3) . ?
Tb1 O2 2.388(4) . ?
Tb1 O13 2.415(3) 1_655 ?
Tb1 O13 2.433(3) 2_655 ?
Tb1 O12 2.594(4) . ?
Tb1 Tb2 3.8659(10) . ?
Tb1 Tb2 3.9062(13) 2_655 ?
Tb1 Tb1 3.9519(11) 2_755 ?
Tb2 O7 2.297(4) . ?
Tb2 O5 2.308(4) . ?
Tb2 O11 2.343(3) . ?
Tb2 O3 2.375(4) . ?
Tb2 O13 2.385(4) . ?
Tb2 O11 2.390(3) 2_655 ?
Tb2 O1 2.461(4) . ?
Tb2 O2 2.652(4) . ?
Tb2 Tb2 3.7874(13) 2_655 ?
Tb2 Tb1 3.9062(13) 2_655 ?
O4 Tb1 2.328(4) 1_455 ?
O8 Tb1 2.305(4) 1_455 ?
O9 Tb1 2.334(4) 2_655 ?
O11 Tb2 2.390(3) 2_655 ?
O11 H111 0.8508 . ?
O12 H121 0.8496 . ?
O12 H122 0.8499 . ?
O13 Tb1 2.415(3) 1_455 ?
O13 Tb1 2.433(3) 2_655 ?
O13 H131 0.8498 . ?
O14 H141 0.8504 . ?
O14 H142 0.8512 . ?

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
O1 C1 O2 120.5(5) . . ?
O1 C1 C2 119.2(5) . . ?
O2 C1 C2 120.3(5) . . ?
O1 C1 Tb2 57.1(3) . . ?
O2 C1 Tb2 65.8(3) . . ?
C2 C1 Tb2 163.3(4) . . ?
C3 C2 C10 118.0(5) . . ?
C3 C2 C1 124.4(5) . . ?
C10 C2 C1 117.5(5) . . ?
C2 C3 C4 119.9(5) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 C9 118.1(6) . . ?
C3 C4 C5 123.4(6) . . ?
C9 C4 C5 118.4(6) . . ?
C6 C5 C4 120.6(7) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C5 C6 C7 120.6(7) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C8 C7 C6 120.3(7) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C9 120.4(7) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
N1 C9 C4 122.4(6) . . ?
N1 C9 C8 118.0(6) . . ?
C4 C9 C8 119.6(6) . . ?
N1 C10 C2 124.7(6) . . ?
N1 C10 H10 117.6 . . ?
C2 C10 H10 117.6 . . ?
O3 C11 O4 124.3(5) . . ?
O3 C11 C12 119.4(5) . . ?
O4 C11 C12 116.3(5) . . ?
C13 C12 C20 117.9(5) . . ?
C13 C12 C11 121.3(5) . . ?
C20 C12 C11 120.7(5) . . ?
C12 C13 C14 120.5(6) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C15 C14 C13 122.5(7) . . ?
C15 C14 C19 121.3(7) . . ?
C13 C14 C19 116.2(7) . . ?
C16 C15 C14 119.7(9) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C17 C16 C15 118.1(9) . . ?
C17 C16 H16 120.9 . . ?
C15 C16 H16 120.9 . . ?
C18 C17 C16 124.8(9) . . ?
C18 C17 H17 117.6 . . ?
C16 C17 H17 117.6 . . ?
C17 C18 C19 118.8(9) . . ?
C17 C18 H18 120.6 . . ?
C19 C18 H18 120.6 . . ?
N2 C19 C14 124.1(6) . . ?
N2 C19 C18 118.6(8) . . ?
C14 C19 C18 117.3(8) . . ?
N2 C20 C12 125.3(7) . . ?
N2 C20 H20 117.4 . . ?
C12 C20 H20 117.4 . . ?
O6 C21 O5 123.9(6) . . ?
O6 C21 C22 119.9(6) . . ?
O5 C21 C22 116.0(5) . . ?
C23 C22 C30 117.6(5) . . ?
C23 C22 C21 121.5(5) . . ?
C30 C22 C21 120.7(5) . . ?
C22 C23 C24 119.7(6) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C29 118.5(6) . . ?
C23 C24 C25 121.7(6) . . ?
C29 C24 C25 119.8(6) . . ?
C26 C25 C24 119.8(7) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 120.5(7) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C28 C27 C26 121.0(6) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 120.3(6) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
N3 C29 C28 120.1(6) . . ?
N3 C29 C24 121.3(5) . . ?
C28 C29 C24 118.6(6) . . ?
N3 C30 C22 124.7(6) . . ?
N3 C30 H30 117.7 . . ?
C22 C30 H30 117.7 . . ?
O8 C31 O7 124.5(5) . . ?
O8 C31 C32 118.1(5) . . ?
O7 C31 C32 117.3(5) . . ?
C33 C32 C40 117.4(5) . . ?
C33 C32 C31 119.7(5) . . ?
C40 C32 C31 122.8(4) . . ?
C32 C33 C34 120.0(5) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 C39 118.7(5) . . ?
C33 C34 C35 122.7(5) . . ?
C39 C34 C35 118.6(5) . . ?
C36 C35 C34 120.5(6) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C35 C36 C37 120.5(5) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C38 C37 C36 120.0(5) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C37 C38 C39 121.7(6) . . ?
C37 C38 H38 119.2 . . ?
C39 C38 H38 119.2 . . ?
N4 C39 C38 120.1(5) . . ?
N4 C39 C34 121.1(5) . . ?
C38 C39 C34 118.7(5) . . ?
N4 C40 C32 124.7(5) . . ?
N4 C40 C41 114.9(4) . . ?
C32 C40 C41 120.4(4) . . ?
O9 C41 O10 125.6(5) . . ?
O9 C41 C40 116.8(5) . . ?
O10 C41 C40 117.6(5) . . ?
O14 Co1 O14 180.0(3) . 2_565 ?
O14 Co1 O10 86.75(19) . 2_565 ?
O14 Co1 O10 93.25(19) 2_565 2_565 ?
O14 Co1 O10 93.25(19) . . ?
O14 Co1 O10 86.75(19) 2_565 . ?
O10 Co1 O10 180.0 2_565 . ?
O14 Co1 N4 88.96(17) . 2_565 ?
O14 Co1 N4 91.04(17) 2_565 2_565 ?
O10 Co1 N4 76.32(15) 2_565 2_565 ?
O10 Co1 N4 103.68(16) . 2_565 ?
O14 Co1 N4 91.04(17) . . ?
O14 Co1 N4 88.96(17) 2_565 . ?
O10 Co1 N4 103.68(16) 2_565 . ?
O10 Co1 N4 76.32(15) . . ?
N4 Co1 N4 180.0(2) 2_565 . ?
O8 Tb1 O4 83.28(16) 1_655 1_655 ?
O8 Tb1 O9 152.87(15) 1_655 2_655 ?
O4 Tb1 O9 89.86(16) 1_655 2_655 ?
O8 Tb1 O11 113.83(14) 1_655 . ?
O4 Tb1 O11 147.40(15) 1_655 . ?
O9 Tb1 O11 85.55(14) 2_655 . ?
O8 Tb1 O2 69.81(14) 1_655 . ?
O4 Tb1 O2 88.54(14) 1_655 . ?
O9 Tb1 O2 136.44(14) 2_655 . ?
O11 Tb1 O2 73.28(13) . . ?
O8 Tb1 O13 78.71(14) 1_655 1_655 ?
O4 Tb1 O13 77.53(14) 1_655 1_655 ?
O9 Tb1 O13 74.17(13) 2_655 1_655 ?
O11 Tb1 O13 131.29(12) . 1_655 ?
O2 Tb1 O13 146.87(13) . 1_655 ?
O8 Tb1 O13 76.70(13) 1_655 2_655 ?
O4 Tb1 O13 145.14(15) 1_655 2_655 ?
O9 Tb1 O13 95.10(13) 2_655 2_655 ?
O11 Tb1 O13 67.46(12) . 2_655 ?
O2 Tb1 O13 110.29(13) . 2_655 ?
O13 Tb1 O13 70.80(13) 1_655 2_655 ?
O8 Tb1 O12 132.13(14) 1_655 . ?
O4 Tb1 O12 76.19(16) 1_655 . ?
O9 Tb1 O12 70.46(14) 2_655 . ?
O11 Tb1 O12 71.85(13) . . ?
O2 Tb1 O12 66.93(14) . . ?
O13 Tb1 O12 135.45(13) 1_655 . ?
O13 Tb1 O12 137.73(13) 2_655 . ?
O8 Tb1 Tb2 84.60(11) 1_655 . ?
O4 Tb1 Tb2 130.52(11) 1_655 . ?
O9 Tb1 Tb2 118.91(11) 2_655 . ?
O11 Tb1 Tb2 34.69(8) . . ?
O2 Tb1 Tb2 42.48(9) . . ?
O13 Tb1 Tb2 145.36(8) 1_655 . ?
O13 Tb1 Tb2 75.94(8) 2_655 . ?
O12 Tb1 Tb2 77.28(10) . . ?
O8 Tb1 Tb2 104.91(11) 1_655 2_655 ?
O4 Tb1 Tb2 169.23(11) 1_655 2_655 ?
O9 Tb1 Tb2 79.67(10) 2_655 2_655 ?
O11 Tb1 Tb2 35.04(8) . 2_655 ?
O2 Tb1 Tb2 100.76(9) . 2_655 ?
O13 Tb1 Tb2 96.99(8) 1_655 2_655 ?
O13 Tb1 Tb2 35.41(8) 2_655 2_655 ?
O12 Tb1 Tb2 102.34(10) . 2_655 ?
Tb2 Tb1 Tb2 58.33(2) . 2_655 ?
O8 Tb1 Tb1 74.85(10) 1_655 2_755 ?
O4 Tb1 Tb1 111.91(12) 1_655 2_755 ?
O9 Tb1 Tb1 83.57(10) 2_655 2_755 ?
O11 Tb1 Tb1 99.64(9) . 2_755 ?
O2 Tb1 Tb1 136.50(10) . 2_755 ?
O13 Tb1 Tb1 35.55(8) 1_655 2_755 ?
O13 Tb1 Tb1 35.25(8) 2_655 2_755 ?
O12 Tb1 Tb1 153.01(10) . 2_755 ?
Tb2 Tb1 Tb1 110.69(2) . 2_755 ?
Tb2 Tb1 Tb1 64.700(18) 2_655 2_755 ?
O7 Tb2 O5 78.07(14) . . ?
O7 Tb2 O11 160.56(15) . . ?
O5 Tb2 O11 93.74(13) . . ?
O7 Tb2 O3 117.64(16) . . ?
O5 Tb2 O3 143.86(13) . . ?
O11 Tb2 O3 79.24(13) . . ?
O7 Tb2 O13 81.80(13) . . ?
O5 Tb2 O13 136.64(13) . . ?
O11 Tb2 O13 92.77(12) . . ?
O3 Tb2 O13 79.41(13) . . ?
O7 Tb2 O11 86.98(15) . 2_655 ?
O5 Tb2 O11 72.95(13) . 2_655 ?
O11 Tb2 O11 73.71(13) . 2_655 ?
O3 Tb2 O11 135.86(13) . 2_655 ?
O13 Tb2 O11 67.96(12) . 2_655 ?
O7 Tb2 O1 76.33(15) . . ?
O5 Tb2 O1 77.44(14) . . ?
O11 Tb2 O1 119.47(12) . . ?
O3 Tb2 O1 75.61(14) . . ?
O13 Tb2 O1 133.66(13) . . ?
O11 Tb2 O1 148.44(13) 2_655 . ?
O7 Tb2 O2 123.57(13) . . ?
O5 Tb2 O2 72.57(13) . . ?
O11 Tb2 O2 69.00(11) . . ?
O3 Tb2 O2 71.84(13) . . ?
O13 Tb2 O2 148.16(12) . . ?
O11 Tb2 O2 126.39(12) 2_655 . ?
O1 Tb2 O2 51.05(12) . . ?
O7 Tb2 C1 98.20(15) . . ?
O5 Tb2 C1 69.18(15) . . ?
O11 Tb2 C1 95.20(13) . . ?
O3 Tb2 C1 76.16(15) . . ?
O13 Tb2 C1 152.34(14) . . ?
O11 Tb2 C1 139.67(14) 2_655 . ?
O1 Tb2 C1 25.50(13) . . ?
O2 Tb2 C1 26.21(13) . . ?
O7 Tb2 Tb2 123.38(13) . 2_655 ?
O5 Tb2 Tb2 81.69(10) . 2_655 ?
O11 Tb2 Tb2 37.28(8) . 2_655 ?
O3 Tb2 Tb2 109.72(10) . 2_655 ?
O13 Tb2 Tb2 78.06(9) . 2_655 ?
O11 Tb2 Tb2 36.43(8) 2_655 2_655 ?
O1 Tb2 Tb2 147.36(9) . 2_655 ?
O2 Tb2 Tb2 98.78(8) . 2_655 ?
C1 Tb2 Tb2 122.49(10) . 2_655 ?
O7 Tb2 Tb1 147.56(10) . . ?
O5 Tb2 Tb1 70.81(9) . . ?
O11 Tb2 Tb1 35.18(8) . . ?
O3 Tb2 Tb1 84.57(10) . . ?
O13 Tb2 Tb1 127.76(9) . . ?
O11 Tb2 Tb1 92.41(9) 2_655 . ?
O1 Tb2 Tb1 87.98(9) . . ?
O2 Tb2 Tb1 37.45(8) . . ?
C1 Tb2 Tb1 62.53(10) . . ?
Tb2 Tb2 Tb1 61.37(3) 2_655 . ?
O7 Tb2 Tb1 72.43(11) . 2_655 ?
O5 Tb2 Tb1 100.66(10) . 2_655 ?
O11 Tb2 Tb1 92.15(8) . 2_655 ?
O3 Tb2 Tb1 114.89(10) . 2_655 ?
O13 Tb2 Tb1 36.24(9) . 2_655 ?
O11 Tb2 Tb1 34.74(8) 2_655 2_655 ?
O1 Tb2 Tb1 148.35(9) . 2_655 ?
O2 Tb2 Tb1 159.02(8) . 2_655 ?
C1 Tb2 Tb1 167.80(11) . 2_655 ?
Tb2 Tb2 Tb1 60.30(2) 2_655 2_655 ?
Tb1 Tb2 Tb1 121.67(2) . 2_655 ?
C10 N1 C9 116.8(5) . . ?
C20 N2 C19 116.1(6) . . ?
C30 N3 C29 118.2(5) . . ?
C40 N4 C39 118.1(4) . . ?
C40 N4 Co1 111.6(3) . . ?
C39 N4 Co1 130.3(4) . . ?
C1 O1 Tb2 97.4(3) . . ?
C1 O2 Tb1 157.7(4) . . ?
C1 O2 Tb2 88.0(3) . . ?
Tb1 O2 Tb2 100.07(13) . . ?
C11 O3 Tb2 118.9(4) . . ?
C11 O4 Tb1 149.2(4) . 1_455 ?
C21 O5 Tb2 132.1(3) . . ?
C31 O7 Tb2 136.7(4) . . ?
C31 O8 Tb1 145.4(4) . 1_455 ?
C41 O9 Tb1 157.0(4) . 2_655 ?
C41 O10 Co1 113.3(3) . . ?
Tb2 O11 Tb1 110.14(14) . . ?
Tb2 O11 Tb2 106.29(13) . 2_655 ?
Tb1 O11 Tb2 110.22(14) . 2_655 ?
Tb2 O11 H111 105.2 . . ?
Tb1 O11 H111 117.3 . . ?
Tb2 O11 H111 107.1 2_655 . ?
Tb1 O12 H121 112.2 . . ?
Tb1 O12 H122 105.4 . . ?
H121 O12 H122 110.2 . . ?
Tb2 O13 Tb1 122.33(14) . 1_455 ?
Tb2 O13 Tb1 108.36(14) . 2_655 ?
Tb1 O13 Tb1 109.20(13) 1_455 2_655 ?
Tb2 O13 H131 102.4 . . ?
Tb1 O13 H131 104.7 1_455 . ?
Tb1 O13 H131 109.0 2_655 . ?
Co1 O14 H141 122.9 . . ?
Co1 O14 H142 126.8 . . ?
H141 O14 H142 110.2 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O11 H111 O6 0.85 2.12 2.949(6) 164.3 2_655
O12 H121 O10 0.85 2.25 3.030(6) 152.5 2_655
O13 H131 O9 0.85 2.48 2.865(5) 108.7 2
O13 H131 O8 0.85 2.71 2.941(5) 97.3 2
O14 H141 N3 0.85 1.92 2.743(7) 161.7 .
O14 H142 O6 0.85 1.90 2.754(7) 177.3 2_665

_diffrn_measured_fraction_theta_max 0.966
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.966
_refine_diff_density_max         1.126
_refine_diff_density_min         -1.374
_refine_diff_density_rms         0.188
####################################################################### 
# 
# 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_h-40
_database_code_depnum_ccdc_archive 'CCDC 1027472'
_audit_update_record             
;
2014-10-03 deposited with the CCDC.
2015-03-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C82 H58 Co Dy4 N8 O28'
_chemical_formula_sum            'C82 H58 Co Dy4 N8 O28'
_chemical_formula_weight         2312.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.6805(15)
_cell_length_b                   13.635(3)
_cell_length_c                   19.036(4)
_cell_angle_alpha                109.16(3)
_cell_angle_beta                 93.43(3)
_cell_angle_gamma                92.75(3)
_cell_volume                     1875.0(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16736
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.51

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.048
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1121
_exptl_absorpt_coefficient_mu    4.248
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2329
_exptl_absorpt_correction_T_max  0.5552
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            18364
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.00
_diffrn_reflns_theta_max         27.48
_reflns_number_total             8474
_reflns_number_gt                7444
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_cell_refinement       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2002)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXL-97

_refine_special_details          
; 
isor 0.005 c15 c16 c17 c18 c19
 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)+(0.0237P)²+6.9306P] 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         8474
_refine_ls_number_parameters     556
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0299
_refine_ls_wR_factor_ref         0.0770
_refine_ls_wR_factor_gt          0.0715
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_restrained_S_all      1.115
_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
C1 C 0.6552(6) 0.1148(4) 0.2299(2) 0.0214(9) Uani 1 1 d . . .
C2 C 0.7784(7) 0.1766(4) 0.2954(2) 0.0231(10) Uani 1 1 d . . .
C3 C 0.9491(7) 0.1551(4) 0.3037(3) 0.0248(10) Uani 1 1 d . . .
H3 H 0.9935 0.0988 0.2688 0.030 Uiso 1 1 calc R . .
C4 C 1.0571(7) 0.2201(4) 0.3660(3) 0.0276(11) Uani 1 1 d . . .
C5 C 1.2350(8) 0.2044(5) 0.3791(3) 0.0405(14) Uani 1 1 d . . .
H5 H 1.2866 0.1499 0.3455 0.049 Uiso 1 1 calc R . .
C6 C 1.3314(9) 0.2687(6) 0.4410(4) 0.0513(17) Uani 1 1 d . . .
H6 H 1.4484 0.2578 0.4492 0.062 Uiso 1 1 calc R . .
C7 C 1.2560(10) 0.3515(6) 0.4925(4) 0.0519(17) Uani 1 1 d . . .
H7 H 1.3235 0.3941 0.5347 0.062 Uiso 1 1 calc R . .
C8 C 1.0868(9) 0.3700(5) 0.4818(3) 0.0438(15) Uani 1 1 d . . .
H8 H 1.0386 0.4253 0.5161 0.053 Uiso 1 1 calc R . .
C9 C 0.9831(7) 0.3046(4) 0.4177(3) 0.0304(11) Uani 1 1 d . . .
C10 C 0.7173(7) 0.2642(4) 0.3497(3) 0.0308(11) Uani 1 1 d . . .
H10 H 0.6016 0.2787 0.3430 0.037 Uiso 1 1 calc R . .
C11 C 0.2394(6) -0.0747(4) 0.1853(3) 0.0222(9) Uani 1 1 d . . .
C12 C 0.2697(7) -0.0888(4) 0.2599(3) 0.0254(10) Uani 1 1 d . . .
C13 C 0.1307(8) -0.0980(4) 0.2994(3) 0.0316(12) Uani 1 1 d . . .
H13 H 0.0166 -0.0988 0.2798 0.038 Uiso 1 1 calc R . .
C14 C 0.1657(9) -0.1063(4) 0.3715(3) 0.0380(14) Uani 1 1 d . . .
C15 C 0.0265(11) -0.1173(5) 0.4155(4) 0.0553(18) Uani 1 1 d U . .
H15 H -0.0897 -0.1192 0.3980 0.066 Uiso 1 1 calc R . .
C16 C 0.0695(13) -0.1252(6) 0.4850(4) 0.063(2) Uani 1 1 d U . .
H16 H -0.0191 -0.1336 0.5142 0.076 Uiso 1 1 calc R . .
C17 C 0.2382(13) -0.1207(6) 0.5110(4) 0.065(2) Uani 1 1 d U . .
H17 H 0.2620 -0.1238 0.5587 0.078 Uiso 1 1 calc R . .
C18 C 0.3748(12) -0.1119(6) 0.4707(4) 0.0606(19) Uani 1 1 d U . .
H18 H 0.4891 -0.1110 0.4902 0.073 Uiso 1 1 calc R . .
C19 C 0.3413(10) -0.1039(5) 0.3982(3) 0.0456(15) Uani 1 1 d U . .
C20 C 0.4416(9) -0.0887(5) 0.2907(3) 0.0405(14) Uani 1 1 d . . .
H20 H 0.5342 -0.0831 0.2627 0.049 Uiso 1 1 calc R . .
C21 C 0.5957(6) 0.2697(4) 0.0773(3) 0.0249(10) Uani 1 1 d . . .
C22 C 0.5299(6) 0.3652(4) 0.1309(3) 0.0249(10) Uani 1 1 d . . .
C23 C 0.5011(7) 0.3709(4) 0.2025(3) 0.0260(10) Uani 1 1 d . . .
H23 H 0.5295 0.3165 0.2194 0.031 Uiso 1 1 calc R . .
C24 C 0.4287(7) 0.4586(4) 0.2505(3) 0.0275(11) Uani 1 1 d . . .
C25 C 0.3950(9) 0.4681(5) 0.3248(3) 0.0400(14) Uani 1 1 d . . .
H25 H 0.4225 0.4154 0.3437 0.048 Uiso 1 1 calc R . .
C26 C 0.3219(9) 0.5547(5) 0.3690(4) 0.0454(15) Uani 1 1 d . . .
H26 H 0.2997 0.5607 0.4176 0.054 Uiso 1 1 calc R . .
C27 C 0.2806(8) 0.6344(4) 0.3404(4) 0.0431(15) Uani 1 1 d . . .
H27 H 0.2307 0.6926 0.3707 0.052 Uiso 1 1 calc R . .
C28 C 0.3119(8) 0.6283(4) 0.2694(4) 0.0424(14) Uani 1 1 d . . .
H28 H 0.2847 0.6823 0.2518 0.051 Uiso 1 1 calc R . .
C29 C 0.3864(7) 0.5391(4) 0.2222(3) 0.0313(11) Uani 1 1 d . . .
C30 C 0.4830(7) 0.4495(4) 0.1083(3) 0.0312(11) Uani 1 1 d . . .
H30 H 0.5031 0.4461 0.0598 0.037 Uiso 1 1 calc R . .
C31 C 0.0877(6) 0.2055(3) 0.1342(2) 0.0167(8) Uani 1 1 d . . .
C32 C 0.0311(6) 0.3143(3) 0.1483(2) 0.0166(8) Uani 1 1 d . . .
C33 C -0.0215(6) 0.3705(3) 0.2166(2) 0.0185(9) Uani 1 1 d . . .
H33 H -0.0239 0.3409 0.2542 0.022 Uiso 1 1 calc R . .
C34 C -0.0718(6) 0.4725(3) 0.2302(3) 0.0197(9) Uani 1 1 d . . .
C35 C -0.1326(7) 0.5326(4) 0.2992(3) 0.0273(11) Uani 1 1 d . . .
H35 H -0.1366 0.5056 0.3380 0.033 Uiso 1 1 calc R . .
C36 C -0.1852(7) 0.6300(4) 0.3085(3) 0.0310(11) Uani 1 1 d . . .
H36 H -0.2260 0.6686 0.3537 0.037 Uiso 1 1 calc R . .
C37 C -0.1784(8) 0.6724(4) 0.2508(3) 0.0327(12) Uani 1 1 d . . .
H37 H -0.2143 0.7390 0.2582 0.039 Uiso 1 1 calc R . .
C38 C -0.1194(7) 0.6169(4) 0.1835(3) 0.0280(11) Uani 1 1 d . . .
H38 H -0.1135 0.6463 0.1459 0.034 Uiso 1 1 calc R . .
C39 C -0.0675(6) 0.5148(3) 0.1715(2) 0.0178(9) Uani 1 1 d . . .
C40 C 0.0308(5) 0.3619(3) 0.0925(2) 0.0161(8) Uani 1 1 d . . .
C41 C 0.0799(6) 0.3039(3) 0.0149(3) 0.0199(9) Uani 1 1 d . . .
Co1 Co 0.0000 0.5000 0.0000 0.01910(18) Uani 1 2 d S . .
Dy1 Dy 0.88688(2) -0.037533(14) 0.078503(10) 0.01294(6) Uani 1 1 d . . .
Dy2 Dy 0.42071(2) 0.055967(15) 0.095825(11) 0.01472(6) Uani 1 1 d . . .
N1 N 0.8122(7) 0.3262(4) 0.4084(3) 0.0394(12) Uani 1 1 d . . .
N2 N 0.4774(8) -0.0963(5) 0.3571(3) 0.0533(16) Uani 1 1 d . . .
N3 N 0.4131(6) 0.5325(3) 0.1501(3) 0.0324(10) Uani 1 1 d . . .
N4 N -0.0133(5) 0.4586(3) 0.1032(2) 0.0174(7) Uani 1 1 d . . .
O1 O 0.4979(4) 0.1381(3) 0.22982(18) 0.0250(7) Uani 1 1 d . . .
O2 O 0.7062(4) 0.0439(2) 0.17570(18) 0.0231(7) Uani 1 1 d . . .
O3 O 0.3683(5) -0.0782(3) 0.1471(2) 0.0272(7) Uani 1 1 d . . .
O4 O 0.0893(5) -0.0553(3) 0.1684(2) 0.0324(8) Uani 1 1 d . . .
O5 O 0.6135(4) 0.1928(3) 0.10021(19) 0.0244(7) Uani 1 1 d . . .
O6 O 0.6238(7) 0.2668(3) 0.0134(2) 0.0455(11) Uani 1 1 d . . .
O7 O 0.2464(4) 0.1930(3) 0.1295(2) 0.0304(8) Uani 1 1 d . . .
O8 O -0.0272(4) 0.1362(2) 0.13149(18) 0.0213(7) Uani 1 1 d . . .
O9 O 0.0748(5) 0.2066(2) -0.00368(19) 0.0253(7) Uani 1 1 d . . .
O10 O 0.1202(5) 0.3562(3) -0.02557(19) 0.0269(8) Uani 1 1 d . . .
O11 O 0.5959(4) -0.0697(2) 0.02599(17) 0.0163(6) Uani 1 1 d . . .
H111 H 0.5438 -0.1278 0.0223 0.024 Uiso 1 1 d R . .
O12 O 0.7286(5) -0.1672(3) 0.1306(2) 0.0308(8) Uani 1 1 d . . .
H121 H 0.7381 -0.2301 0.1040 0.046 Uiso 1 1 d R . .
H122 H 0.7773 -0.1551 0.1742 0.046 Uiso 1 1 d R . .
O13 O 0.1601(4) -0.0288(2) 0.02415(16) 0.0147(6) Uani 1 1 d . . .
H131 H 0.1862 -0.0917 0.0070 0.022 Uiso 1 1 d R . .
O14 O 0.2307(5) 0.5883(3) 0.0425(2) 0.0362(9) Uani 1 1 d . . .
H141 H 0.2902 0.5855 0.0808 0.054 Uiso 1 1 d R . .
H142 H 0.2787 0.6333 0.0263 0.054 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
C1 O2 1.258(5) . ?
C1 O1 1.263(6) . ?
C1 C2 1.501(7) . ?
C1 Dy2 2.892(5) . ?
C2 C3 1.369(7) . ?
C2 C10 1.420(7) . ?
C3 C4 1.415(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.413(8) . ?
C4 C9 1.416(7) . ?
C5 C6 1.364(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.405(10) . ?
C6 H6 0.9300 . ?
C7 C8 1.352(10) . ?
C7 H7 0.9300 . ?
C8 C9 1.421(7) . ?
C8 H8 0.9300 . ?
C9 N1 1.372(7) . ?
C10 N1 1.311(7) . ?
C10 H10 0.9300 . ?
C11 O4 1.242(6) . ?
C11 O3 1.258(6) . ?
C11 C12 1.500(6) . ?
C12 C13 1.366(7) . ?
C12 C20 1.412(8) . ?
C13 C14 1.423(7) . ?
C13 H13 0.9300 . ?
C14 C19 1.408(10) . ?
C14 C15 1.430(9) . ?
C15 C16 1.383(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.351(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.360(11) . ?
C17 H17 0.9300 . ?
C18 C19 1.429(9) . ?
C18 H18 0.9300 . ?
C19 N2 1.363(9) . ?
C20 N2 1.314(8) . ?
C20 H20 0.9300 . ?
C21 O6 1.235(6) . ?
C21 O5 1.271(6) . ?
C21 C22 1.498(7) . ?
C22 C23 1.371(7) . ?
C22 C30 1.408(7) . ?
C23 C24 1.408(7) . ?
C23 H23 0.9300 . ?
C24 C29 1.415(7) . ?
C24 C25 1.419(8) . ?
C25 C26 1.374(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.405(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.365(9) . ?
C27 H27 0.9300 . ?
C28 C29 1.422(8) . ?
C28 H28 0.9300 . ?
C29 N3 1.375(7) . ?
C30 N3 1.312(7) . ?
C30 H30 0.9300 . ?
C31 O7 1.244(6) . ?
C31 O8 1.248(5) . ?
C31 C32 1.509(6) . ?
C32 C33 1.371(6) . ?
C32 C40 1.415(6) . ?
C33 C34 1.407(6) . ?
C33 H33 0.9300 . ?
C34 C39 1.418(6) . ?
C34 C35 1.420(6) . ?
C35 C36 1.364(7) . ?
C35 H35 0.9300 . ?
C36 C37 1.402(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.373(7) . ?
C37 H37 0.9300 . ?
C38 C39 1.415(6) . ?
C38 H38 0.9300 . ?
C39 N4 1.376(6) . ?
C40 N4 1.330(6) . ?
C40 C41 1.510(6) . ?
C41 O10 1.251(6) . ?
C41 O9 1.254(5) . ?
Co1 O14 2.056(4) 2_565 ?
Co1 O14 2.056(4) . ?
Co1 O10 2.130(3) 2_565 ?
Co1 O10 2.130(3) . ?
Co1 N4 2.221(4) 2_565 ?
Co1 N4 2.221(4) . ?
Dy1 O8 2.295(3) 1_655 ?
Dy1 O9 2.322(3) 2_655 ?
Dy1 O4 2.323(4) 1_655 ?
Dy1 O11 2.353(3) . ?
Dy1 O2 2.385(3) . ?
Dy1 O13 2.409(3) 1_655 ?
Dy1 O13 2.424(3) 2_655 ?
Dy1 O12 2.585(4) . ?
Dy1 Dy2 3.8545(10) . ?
Dy1 Dy2 3.8876(12) 2_655 ?
Dy1 Dy1 3.9318(11) 2_755 ?
Dy2 O7 2.291(3) . ?
Dy2 O5 2.302(3) . ?
Dy2 O11 2.336(3) . ?
Dy2 O3 2.368(3) . ?
Dy2 O13 2.371(3) . ?
Dy2 O11 2.384(3) 2_655 ?
Dy2 O1 2.448(3) . ?
Dy2 O2 2.636(4) . ?
Dy2 Dy2 3.7655(12) 2_655 ?
Dy2 Dy1 3.8876(12) 2_655 ?
O4 Dy1 2.323(4) 1_455 ?
O8 Dy1 2.295(3) 1_455 ?
O9 Dy1 2.322(3) 2_655 ?
O11 Dy2 2.384(3) 2_655 ?
O11 H111 0.8499 . ?
O12 H121 0.8501 . ?
O12 H122 0.8500 . ?
O13 Dy1 2.409(3) 1_455 ?
O13 Dy1 2.424(3) 2_655 ?
O13 H131 0.8500 . ?
O14 H141 0.8500 . ?
O14 H142 0.8499 . ?

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
O2 C1 O1 120.6(4) . . ?
O2 C1 C2 121.7(4) . . ?
O1 C1 C2 117.7(4) . . ?
O2 C1 Dy2 65.6(3) . . ?
O1 C1 Dy2 57.1(2) . . ?
C2 C1 Dy2 162.5(3) . . ?
C3 C2 C10 118.4(5) . . ?
C3 C2 C1 123.0(4) . . ?
C10 C2 C1 118.5(5) . . ?
C2 C3 C4 119.0(5) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 123.1(5) . . ?
C5 C4 C9 118.6(5) . . ?
C3 C4 C9 118.3(5) . . ?
C6 C5 C4 120.2(6) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 120.8(6) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C8 C7 C6 121.0(6) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C7 C8 C9 119.6(6) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
N1 C9 C4 122.2(5) . . ?
N1 C9 C8 118.0(5) . . ?
C4 C9 C8 119.8(5) . . ?
N1 C10 C2 124.8(5) . . ?
N1 C10 H10 117.6 . . ?
C2 C10 H10 117.6 . . ?
O4 C11 O3 125.5(4) . . ?
O4 C11 C12 116.5(4) . . ?
O3 C11 C12 117.9(4) . . ?
C13 C12 C20 119.8(5) . . ?
C13 C12 C11 119.9(5) . . ?
C20 C12 C11 120.3(5) . . ?
C12 C13 C14 118.1(6) . . ?
C12 C13 H13 121.0 . . ?
C14 C13 H13 121.0 . . ?
C19 C14 C13 118.2(6) . . ?
C19 C14 C15 120.7(6) . . ?
C13 C14 C15 121.1(7) . . ?
C16 C15 C14 118.1(8) . . ?
C16 C15 H15 120.9 . . ?
C14 C15 H15 120.9 . . ?
C17 C16 C15 121.0(8) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C16 C17 C18 123.0(8) . . ?
C16 C17 H17 118.5 . . ?
C18 C17 H17 118.5 . . ?
C17 C18 C19 119.4(8) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
N2 C19 C14 122.4(5) . . ?
N2 C19 C18 119.8(7) . . ?
C14 C19 C18 117.8(7) . . ?
N2 C20 C12 123.4(6) . . ?
N2 C20 H20 118.3 . . ?
C12 C20 H20 118.3 . . ?
O6 C21 O5 123.0(5) . . ?
O6 C21 C22 120.3(5) . . ?
O5 C21 C22 116.6(4) . . ?
C23 C22 C30 117.3(5) . . ?
C23 C22 C21 121.2(5) . . ?
C30 C22 C21 121.3(5) . . ?
C22 C23 C24 120.3(5) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C29 117.9(5) . . ?
C23 C24 C25 122.6(5) . . ?
C29 C24 C25 119.5(5) . . ?
C26 C25 C24 120.3(6) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 119.8(6) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C28 C27 C26 121.6(6) . . ?
C28 C27 H27 119.2 . . ?
C26 C27 H27 119.2 . . ?
C27 C28 C29 119.8(6) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
N3 C29 C24 121.6(5) . . ?
N3 C29 C28 119.3(5) . . ?
C24 C29 C28 119.1(5) . . ?
N3 C30 C22 125.1(5) . . ?
N3 C30 H30 117.4 . . ?
C22 C30 H30 117.4 . . ?
O7 C31 O8 125.1(4) . . ?
O7 C31 C32 117.4(4) . . ?
O8 C31 C32 117.4(4) . . ?
C33 C32 C40 117.9(4) . . ?
C33 C32 C31 120.4(4) . . ?
C40 C32 C31 121.8(4) . . ?
C32 C33 C34 120.4(4) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C33 C34 C39 118.3(4) . . ?
C33 C34 C35 122.6(4) . . ?
C39 C34 C35 119.1(4) . . ?
C36 C35 C34 120.2(5) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C35 C36 C37 120.7(5) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C38 C37 C36 120.9(5) . . ?
C38 C37 H37 119.6 . . ?
C36 C37 H37 119.6 . . ?
C37 C38 C39 119.8(5) . . ?
C37 C38 H38 120.1 . . ?
C39 C38 H38 120.1 . . ?
N4 C39 C38 119.5(4) . . ?
N4 C39 C34 121.2(4) . . ?
C38 C39 C34 119.3(4) . . ?
N4 C40 C32 123.8(4) . . ?
N4 C40 C41 115.0(4) . . ?
C32 C40 C41 121.2(4) . . ?
O10 C41 O9 125.5(4) . . ?
O10 C41 C40 117.8(4) . . ?
O9 C41 C40 116.7(4) . . ?
O14 Co1 O14 180.0(2) 2_565 . ?
O14 Co1 O10 93.74(15) 2_565 2_565 ?
O14 Co1 O10 86.26(15) . 2_565 ?
O14 Co1 O10 86.26(15) 2_565 . ?
O14 Co1 O10 93.74(15) . . ?
O10 Co1 O10 180.000(1) 2_565 . ?
O14 Co1 N4 90.60(15) 2_565 2_565 ?
O14 Co1 N4 89.40(15) . 2_565 ?
O10 Co1 N4 76.12(13) 2_565 2_565 ?
O10 Co1 N4 103.88(13) . 2_565 ?
O14 Co1 N4 89.40(15) 2_565 . ?
O14 Co1 N4 90.60(15) . . ?
O10 Co1 N4 103.88(13) 2_565 . ?
O10 Co1 N4 76.12(13) . . ?
N4 Co1 N4 180.00(16) 2_565 . ?
O8 Dy1 O9 153.19(12) 1_655 2_655 ?
O8 Dy1 O4 83.56(14) 1_655 1_655 ?
O9 Dy1 O4 89.61(14) 2_655 1_655 ?
O8 Dy1 O11 113.55(12) 1_655 . ?
O9 Dy1 O11 85.78(12) 2_655 . ?
O4 Dy1 O11 146.98(12) 1_655 . ?
O8 Dy1 O2 69.60(11) 1_655 . ?
O9 Dy1 O2 136.31(11) 2_655 . ?
O4 Dy1 O2 88.58(12) 1_655 . ?
O11 Dy1 O2 72.91(11) . . ?
O8 Dy1 O13 78.96(11) 1_655 1_655 ?
O9 Dy1 O13 74.26(11) 2_655 1_655 ?
O4 Dy1 O13 77.53(11) 1_655 1_655 ?
O11 Dy1 O13 131.72(10) . 1_655 ?
O2 Dy1 O13 146.87(11) . 1_655 ?
O8 Dy1 O13 76.85(11) 1_655 2_655 ?
O9 Dy1 O13 95.23(11) 2_655 2_655 ?
O4 Dy1 O13 145.53(12) 1_655 2_655 ?
O11 Dy1 O13 67.49(10) . 2_655 ?
O2 Dy1 O13 110.16(11) . 2_655 ?
O13 Dy1 O13 71.11(11) 1_655 2_655 ?
O8 Dy1 O12 131.73(11) 1_655 . ?
O9 Dy1 O12 70.54(12) 2_655 . ?
O4 Dy1 O12 75.93(13) 1_655 . ?
O11 Dy1 O12 71.71(11) . . ?
O2 Dy1 O12 66.72(11) . . ?
O13 Dy1 O12 135.51(11) 1_655 . ?
O13 Dy1 O12 137.63(11) 2_655 . ?
O8 Dy1 Dy2 84.27(9) 1_655 . ?
O9 Dy1 Dy2 119.03(10) 2_655 . ?
O4 Dy1 Dy2 130.37(9) 1_655 . ?
O11 Dy1 Dy2 34.56(7) . . ?
O2 Dy1 Dy2 42.31(9) . . ?
O13 Dy1 Dy2 145.50(7) 1_655 . ?
O13 Dy1 Dy2 75.84(7) 2_655 . ?
O12 Dy1 Dy2 77.19(9) . . ?
O8 Dy1 Dy2 104.86(9) 1_655 2_655 ?
O9 Dy1 Dy2 79.91(10) 2_655 2_655 ?
O4 Dy1 Dy2 169.29(9) 1_655 2_655 ?
O11 Dy1 Dy2 35.09(7) . 2_655 ?
O2 Dy1 Dy2 100.47(9) . 2_655 ?
O13 Dy1 Dy2 97.36(7) 1_655 2_655 ?
O13 Dy1 Dy2 35.37(7) 2_655 2_655 ?
O12 Dy1 Dy2 102.28(9) . 2_655 ?
Dy2 Dy1 Dy2 58.20(2) . 2_655 ?
O8 Dy1 Dy1 75.07(8) 1_655 2_755 ?
O9 Dy1 Dy1 83.68(9) 2_655 2_755 ?
O4 Dy1 Dy1 112.08(9) 1_655 2_755 ?
O11 Dy1 Dy1 99.89(7) . 2_755 ?
O2 Dy1 Dy1 136.51(8) . 2_755 ?
O13 Dy1 Dy1 35.68(7) 1_655 2_755 ?
O13 Dy1 Dy1 35.43(7) 2_655 2_755 ?
O12 Dy1 Dy1 153.19(8) . 2_755 ?
Dy2 Dy1 Dy1 110.75(2) . 2_755 ?
Dy2 Dy1 Dy1 64.901(17) 2_655 2_755 ?
O7 Dy2 O5 78.50(12) . . ?
O7 Dy2 O11 161.27(13) . . ?
O5 Dy2 O11 93.66(11) . . ?
O7 Dy2 O3 116.91(13) . . ?
O5 Dy2 O3 143.71(13) . . ?
O11 Dy2 O3 79.36(11) . . ?
O7 Dy2 O13 81.54(12) . . ?
O5 Dy2 O13 136.75(12) . . ?
O11 Dy2 O13 93.21(10) . . ?
O3 Dy2 O13 79.47(12) . . ?
O7 Dy2 O11 87.26(13) . 2_655 ?
O5 Dy2 O11 73.19(12) . 2_655 ?
O11 Dy2 O11 74.14(12) . 2_655 ?
O3 Dy2 O11 136.03(11) . 2_655 ?
O13 Dy2 O11 67.86(10) . 2_655 ?
O7 Dy2 O1 76.26(13) . . ?
O5 Dy2 O1 77.44(12) . . ?
O11 Dy2 O1 118.98(11) . . ?
O3 Dy2 O1 75.25(12) . . ?
O13 Dy2 O1 133.54(11) . . ?
O11 Dy2 O1 148.65(11) 2_655 . ?
O7 Dy2 O2 123.54(12) . . ?
O5 Dy2 O2 72.66(12) . . ?
O11 Dy2 O2 68.68(10) . . ?
O3 Dy2 O2 71.64(11) . . ?
O13 Dy2 O2 148.07(10) . . ?
O11 Dy2 O2 126.77(10) 2_655 . ?
O1 Dy2 O2 50.87(10) . . ?
O7 Dy2 C1 98.56(14) . . ?
O5 Dy2 C1 69.45(13) . . ?
O11 Dy2 C1 94.45(12) . . ?
O3 Dy2 C1 75.60(13) . . ?
O13 Dy2 C1 152.03(12) . . ?
O11 Dy2 C1 140.06(12) 2_655 . ?
O1 Dy2 C1 25.68(12) . . ?
O2 Dy2 C1 25.78(11) . . ?
O7 Dy2 Dy2 123.86(11) . 2_655 ?
O5 Dy2 Dy2 81.76(9) . 2_655 ?
O11 Dy2 Dy2 37.51(8) . 2_655 ?
O3 Dy2 Dy2 109.94(9) . 2_655 ?
O13 Dy2 Dy2 78.24(7) . 2_655 ?
O11 Dy2 Dy2 36.63(7) 2_655 2_655 ?
O1 Dy2 Dy2 147.26(8) . 2_655 ?
O2 Dy2 Dy2 98.82(7) . 2_655 ?
C1 Dy2 Dy2 122.24(9) . 2_655 ?
O7 Dy2 Dy1 147.92(9) . . ?
O5 Dy2 Dy1 70.84(9) . . ?
O11 Dy2 Dy1 34.85(8) . . ?
O3 Dy2 Dy1 84.64(9) . . ?
O13 Dy2 Dy1 127.87(7) . . ?
O11 Dy2 Dy1 92.66(8) 2_655 . ?
O1 Dy2 Dy1 87.86(8) . . ?
O2 Dy2 Dy1 37.52(7) . . ?
C1 Dy2 Dy1 62.21(9) . . ?
Dy2 Dy2 Dy1 61.34(3) 2_655 . ?
O7 Dy2 Dy1 72.52(10) . 2_655 ?
O5 Dy2 Dy1 100.75(9) . 2_655 ?
O11 Dy2 Dy1 92.60(8) . 2_655 ?
O3 Dy2 Dy1 115.02(9) . 2_655 ?
O13 Dy2 Dy1 36.28(7) . 2_655 ?
O11 Dy2 Dy1 34.58(7) 2_655 2_655 ?
O1 Dy2 Dy1 148.40(8) . 2_655 ?
O2 Dy2 Dy1 159.22(7) . 2_655 ?
C1 Dy2 Dy1 168.25(9) . 2_655 ?
Dy2 Dy2 Dy1 60.46(2) 2_655 2_655 ?
Dy1 Dy2 Dy1 121.80(2) . 2_655 ?
C10 N1 C9 117.3(5) . . ?
C20 N2 C19 118.1(6) . . ?
C30 N3 C29 117.7(5) . . ?
C40 N4 C39 118.4(4) . . ?
C40 N4 Co1 111.5(3) . . ?
C39 N4 Co1 129.9(3) . . ?
C1 O1 Dy2 97.2(3) . . ?
C1 O2 Dy1 157.8(3) . . ?
C1 O2 Dy2 88.6(3) . . ?
Dy1 O2 Dy2 100.17(12) . . ?
C11 O3 Dy2 118.8(3) . . ?
C11 O4 Dy1 148.7(3) . 1_455 ?
C21 O5 Dy2 131.4(3) . . ?
C31 O7 Dy2 137.3(3) . . ?
C31 O8 Dy1 144.6(3) . 1_455 ?
C41 O9 Dy1 157.1(3) . 2_655 ?
C41 O10 Co1 113.7(3) . . ?
Dy2 O11 Dy1 110.59(12) . . ?
Dy2 O11 Dy2 105.86(12) . 2_655 ?
Dy1 O11 Dy2 110.33(12) . 2_655 ?
Dy2 O11 H111 105.2 . . ?
Dy1 O11 H111 117.3 . . ?
Dy2 O11 H111 106.9 2_655 . ?
Dy1 O12 H121 112.1 . . ?
Dy1 O12 H122 105.4 . . ?
H121 O12 H122 110.3 . . ?
Dy2 O13 Dy1 122.75(12) . 1_455 ?
Dy2 O13 Dy1 108.35(11) . 2_655 ?
Dy1 O13 Dy1 108.89(11) 1_455 2_655 ?
Dy2 O13 H131 102.4 . . ?
Dy1 O13 H131 104.7 1_455 . ?
Dy1 O13 H131 108.9 2_655 . ?
Co1 O14 H141 123.1 . . ?
Co1 O14 H142 126.7 . . ?
H141 O14 H142 110.2 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O11 H111 O6 0.85 2.13 2.953(5) 163.9 2_655
O12 H121 O10 0.85 2.25 3.029(5) 152.4 2_655
O13 H131 O9 0.85 2.47 2.856(4) 108.6 2
O13 H131 O8 0.85 2.70 2.934(4) 97.3 2
O14 H141 N3 0.85 1.92 2.742(6) 161.7 .
O14 H142 O6 0.85 1.91 2.756(5) 177.0 2_665

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         1.404
_refine_diff_density_min         -1.103
_refine_diff_density_rms         0.160
