# 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_1
_database_code_depnum_ccdc_archive 'CCDC 986119'
_audit_update_record             
;
2015-04-26 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H22 Cu Dy N5 O15'
_chemical_formula_sum            'C19 H22 Cu Dy N5 O15'
_chemical_formula_weight         786.46

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'
Cu Cu 0.3201 1.2651 '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           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_hall  '-P 2ybc'

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                   9.0716(4)
_cell_length_b                   28.5414(12)
_cell_length_c                   10.2781(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.521(5)
_cell_angle_gamma                90.00
_cell_volume                     2564.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    250
_cell_measurement_theta_min      3.16
_cell_measurement_theta_max      29.34

_exptl_crystal_description       'Rod shape'
_exptl_crystal_colour            'Dark green'
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_diffrn    2.032
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1536.0
_exptl_absorpt_coefficient_mu    3.806
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.417
_exptl_absorpt_correction_T_max  0.683
_exptl_absorpt_process_details   SADABS

_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  'BRUKER SMART APEX-II CCD'
_diffrn_measurement_method       Multi-scan
_diffrn_reflns_number            26663
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.16
_diffrn_reflns_theta_max         29.34
_reflns_number_total             7046
_reflns_number_gt                5810
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'BRUKER SMART APEX II CCD'
_computing_cell_refinement       'BRUKER SMART APEX II CCD'
_computing_data_reduction        'BRUKER SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    MERCURY-3.1
_computing_publication_material  'SHELXS-97 (Sheldrick, 2008)'

_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)+(0.0276P)²+17.0674P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7046
_refine_ls_number_parameters     373
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0530
_refine_ls_wR_factor_ref         0.1175
_refine_ls_wR_factor_gt          0.1152
_refine_ls_goodness_of_fit_ref   1.180
_refine_ls_restrained_S_all      1.180
_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
C1 C 0.7666(10) 0.7747(3) 0.6046(9) 0.057(2) Uani 1 1 d . . .
H19A H 0.7746 0.7426 0.6334 0.085 Uiso 1 1 calc R . .
H19B H 0.8507 0.7824 0.5682 0.085 Uiso 1 1 calc R . .
H19C H 0.6721 0.7793 0.5364 0.085 Uiso 1 1 calc R . .
C2 C 0.8947(7) 0.8001(2) 0.8292(7) 0.0340(13) Uani 1 1 d . . .
C3 C 1.0101(9) 0.7680(3) 0.8385(8) 0.0507(19) Uani 1 1 d . . .
H17 H 1.0059 0.7468 0.7689 0.061 Uiso 1 1 calc R . .
C4 C 1.1346(10) 0.7677(3) 0.9545(10) 0.064(2) Uani 1 1 d . . .
H16 H 1.2124 0.7458 0.9629 0.076 Uiso 1 1 calc R . .
C5 C 1.1411(8) 0.7992(3) 1.0533(9) 0.057(2) Uani 1 1 d . . .
H15 H 1.2264 0.7996 1.1275 0.068 Uiso 1 1 calc R . .
C6 C 1.0216(7) 0.8316(3) 1.0471(7) 0.0423(16) Uani 1 1 d . . .
C7 C 0.8949(7) 0.8321(2) 0.9333(6) 0.0320(13) Uani 1 1 d . . .
C8 C 1.0408(7) 0.8650(3) 1.1551(7) 0.0475(19) Uani 1 1 d . . .
H13 H 1.1343 0.8640 1.2202 0.057 Uiso 1 1 calc R . .
C9 C 1.0020(10) 0.9287(4) 1.2872(9) 0.068(3) Uani 1 1 d . . .
H11A H 1.0232 0.9587 1.2519 0.082 Uiso 1 1 calc R . .
H11B H 1.0975 0.9167 1.3447 0.082 Uiso 1 1 calc R . .
C10 C 0.8909(10) 0.9358(3) 1.3712(8) 0.054(2) Uani 1 1 d . . .
H10 H 0.9445 0.9517 1.4551 0.065 Uiso 1 1 calc R . .
C11 C 0.7582(11) 0.9658(3) 1.2988(8) 0.058(2) Uani 1 1 d . . .
H9A H 0.6970 0.9727 1.3607 0.070 Uiso 1 1 calc R . .
H9B H 0.7980 0.9953 1.2758 0.070 Uiso 1 1 calc R . .
C12 C 0.5177(9) 0.9585(2) 1.1508(7) 0.0440(17) Uani 1 1 d . . .
H1 H 0.4954 0.9789 1.2136 0.053 Uiso 1 1 calc R . .
C13 C 0.3911(8) 0.9457(2) 1.0400(7) 0.0390(15) Uani 1 1 d . . .
C14 C 0.2443(10) 0.9617(3) 1.0424(8) 0.054(2) Uani 1 1 d . . .
H3 H 0.2349 0.9810 1.1128 0.065 Uiso 1 1 calc R . .
C15 C 0.1165(10) 0.9497(3) 0.9446(9) 0.058(2) Uani 1 1 d . . .
H4 H 0.0211 0.9607 0.9477 0.070 Uiso 1 1 calc R . .
C16 C 0.1305(8) 0.9206(3) 0.8399(8) 0.0481(18) Uani 1 1 d . . .
H5 H 0.0437 0.9118 0.7731 0.058 Uiso 1 1 calc R . .
C17 C 0.2716(7) 0.9048(2) 0.8347(6) 0.0345(13) Uani 1 1 d . . .
C18 C 0.4059(7) 0.9178(2) 0.9339(6) 0.0309(12) Uani 1 1 d . . .
C19 C 0.1631(8) 0.8546(3) 0.6472(10) 0.061(2) Uani 1 1 d . . .
H7A H 0.1102 0.8779 0.5847 0.091 Uiso 1 1 calc R . .
H7B H 0.0968 0.8429 0.6986 0.091 Uiso 1 1 calc R . .
H7C H 0.1932 0.8293 0.5984 0.091 Uiso 1 1 calc R . .
N1 N 0.6571(7) 0.94571(18) 1.1747(5) 0.0379(12) Uani 1 1 d . . .
N2 N 0.9458(6) 0.8959(2) 1.1732(6) 0.0444(14) Uani 1 1 d . . .
N3 N 0.4690(6) 0.7705(2) 0.7878(6) 0.0403(13) Uani 1 1 d . . .
N4 N 0.6694(14) 0.9528(3) 0.6637(8) 0.083(3) Uani 1 1 d . . .
N5 N 0.4662(7) 0.8698(2) 0.4301(6) 0.0427(13) Uani 1 1 d . . .
O1 O 0.7702(5) 0.80480(16) 0.7186(5) 0.0412(11) Uani 1 1 d . . .
O2 O 0.7802(4) 0.86182(15) 0.9179(4) 0.0320(9) Uani 1 1 d . . .
O3 O 0.5391(5) 0.90232(16) 0.9206(4) 0.0347(9) Uani 1 1 d . . .
O4 O 0.2970(5) 0.87511(16) 0.7371(4) 0.0349(9) Uani 1 1 d . . .
O5 O 0.6465(8) 0.8350(2) 1.1608(7) 0.0696(18) Uani 1 1 d . . .
O6 O 0.8553(9) 0.8909(3) 1.4023(8) 0.093(2) Uani 1 1 d . . .
H6 H 0.7757 0.8913 1.4256 0.139 Uiso 1 1 calc R . .
O7 O 0.5282(6) 0.79928(17) 0.8793(5) 0.0483(12) Uani 1 1 d . . .
O8 O 0.4453(6) 0.78589(18) 0.6683(5) 0.0468(12) Uani 1 1 d . . .
O9 O 0.4364(7) 0.73083(19) 0.8123(7) 0.0674(18) Uani 1 1 d . . .
O10 O 0.5230(11) 0.9443(2) 0.6544(9) 0.093(3) Uani 1 1 d . . .
O11 O 0.7553(8) 0.9211(4) 0.6978(10) 0.117(4) Uani 1 1 d . . .
O12 O 0.7065(15) 0.9907(3) 0.6279(9) 0.139(5) Uani 1 1 d . . .
O13 O 0.5993(7) 0.8630(3) 0.4966(6) 0.074(2) Uani 1 1 d . . .
O14 O 0.3716(8) 0.8676(3) 0.4944(7) 0.095(3) Uani 1 1 d . . .
O15 O 0.4311(7) 0.8766(2) 0.3091(6) 0.0637(16) Uani 1 1 d . . .
Cu1 Cu 0.73148(8) 0.89934(3) 1.06126(7) 0.03024(16) Uani 1 1 d . . .
Dy1 Dy 0.56680(3) 0.862471(9) 0.72953(3) 0.02786(9) Uani 1 1 d . . .


_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 1.446(8) . ?
C1 H19A 0.9600 . ?
C1 H19B 0.9600 . ?
C1 H19C 0.9600 . ?
C2 C3 1.375(9) . ?
C2 O1 1.377(8) . ?
C2 C7 1.408(9) . ?
C3 C4 1.406(12) . ?
C3 H17 0.9300 . ?
C4 C5 1.345(13) . ?
C4 H16 0.9300 . ?
C5 C6 1.415(10) . ?
C5 H15 0.9300 . ?
C6 C7 1.403(9) . ?
C6 C8 1.437(11) . ?
C7 O2 1.318(7) . ?
C8 N2 1.281(10) . ?
C8 H13 0.9300 . ?
C9 N2 1.479(10) . ?
C9 C10 1.506(12) . ?
C9 H11A 0.9700 . ?
C9 H11B 0.9700 . ?
C10 O6 1.381(11) . ?
C10 C11 1.503(12) . ?
C10 H10 0.9800 . ?
C11 N1 1.473(9) . ?
C11 H9A 0.9700 . ?
C11 H9B 0.9700 . ?
C12 N1 1.276(9) . ?
C12 C13 1.432(10) . ?
C12 H1 0.9300 . ?
C13 C18 1.385(9) . ?
C13 C14 1.415(10) . ?
C14 C15 1.360(12) . ?
C14 H3 0.9300 . ?
C15 C16 1.391(12) . ?
C15 H4 0.9300 . ?
C16 C17 1.372(9) . ?
C16 H5 0.9300 . ?
C17 O4 1.378(8) . ?
C17 C18 1.414(9) . ?
C18 O3 1.327(7) . ?
C19 O4 1.439(8) . ?
C19 H7A 0.9600 . ?
C19 H7B 0.9600 . ?
C19 H7C 0.9600 . ?
N1 Cu1 1.997(5) . ?
N2 Cu1 1.979(6) . ?
N3 O9 1.212(8) . ?
N3 O7 1.256(7) . ?
N3 O8 1.268(7) . ?
N4 O11 1.183(13) . ?
N4 O12 1.219(10) . ?
N4 O10 1.328(12) . ?
N5 O15 1.214(8) . ?
N5 O14 1.216(9) . ?
N5 O13 1.233(8) . ?
O1 Dy1 2.497(4) . ?
O2 Cu1 1.965(4) . ?
O2 Dy1 2.343(4) . ?
O3 Cu1 1.948(4) . ?
O3 Dy1 2.340(4) . ?
O4 Dy1 2.496(4) . ?
O5 Cu1 2.332(6) . ?
O6 H6 0.8200 . ?
O7 Dy1 2.456(5) . ?
O8 Dy1 2.453(5) . ?
O10 Dy1 2.459(6) . ?
O11 Dy1 2.476(7) . ?
O13 Dy1 2.489(6) . ?
O14 Dy1 2.590(7) . ?

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 H19A 109.5 . . ?
O1 C1 H19B 109.5 . . ?
H19A C1 H19B 109.5 . . ?
O1 C1 H19C 109.5 . . ?
H19A C1 H19C 109.5 . . ?
H19B C1 H19C 109.5 . . ?
C3 C2 O1 124.3(6) . . ?
C3 C2 C7 122.3(6) . . ?
O1 C2 C7 113.4(5) . . ?
C2 C3 C4 119.1(8) . . ?
C2 C3 H17 120.4 . . ?
C4 C3 H17 120.4 . . ?
C5 C4 C3 120.0(7) . . ?
C5 C4 H16 120.0 . . ?
C3 C4 H16 120.0 . . ?
C4 C5 C6 121.6(7) . . ?
C4 C5 H15 119.2 . . ?
C6 C5 H15 119.2 . . ?
C7 C6 C5 119.4(7) . . ?
C7 C6 C8 122.7(6) . . ?
C5 C6 C8 117.8(7) . . ?
O2 C7 C6 123.4(6) . . ?
O2 C7 C2 119.1(5) . . ?
C6 C7 C2 117.5(6) . . ?
N2 C8 C6 128.4(6) . . ?
N2 C8 H13 115.8 . . ?
C6 C8 H13 115.8 . . ?
N2 C9 C10 113.5(6) . . ?
N2 C9 H11A 108.9 . . ?
C10 C9 H11A 108.9 . . ?
N2 C9 H11B 108.9 . . ?
C10 C9 H11B 108.9 . . ?
H11A C9 H11B 107.7 . . ?
O6 C10 C11 116.0(7) . . ?
O6 C10 C9 103.9(8) . . ?
C11 C10 C9 111.4(7) . . ?
O6 C10 H10 108.4 . . ?
C11 C10 H10 108.4 . . ?
C9 C10 H10 108.4 . . ?
N1 C11 C10 115.9(6) . . ?
N1 C11 H9A 108.3 . . ?
C10 C11 H9A 108.3 . . ?
N1 C11 H9B 108.3 . . ?
C10 C11 H9B 108.3 . . ?
H9A C11 H9B 107.4 . . ?
N1 C12 C13 128.5(6) . . ?
N1 C12 H1 115.7 . . ?
C13 C12 H1 115.7 . . ?
C18 C13 C14 119.3(7) . . ?
C18 C13 C12 123.2(6) . . ?
C14 C13 C12 117.5(7) . . ?
C15 C14 C13 121.7(7) . . ?
C15 C14 H3 119.2 . . ?
C13 C14 H3 119.2 . . ?
C14 C15 C16 119.1(7) . . ?
C14 C15 H4 120.4 . . ?
C16 C15 H4 120.4 . . ?
C17 C16 C15 120.4(8) . . ?
C17 C16 H5 119.8 . . ?
C15 C16 H5 119.8 . . ?
C16 C17 O4 124.7(6) . . ?
C16 C17 C18 121.2(7) . . ?
O4 C17 C18 114.0(5) . . ?
O3 C18 C13 123.7(6) . . ?
O3 C18 C17 118.1(5) . . ?
C13 C18 C17 118.2(6) . . ?
O4 C19 H7A 109.5 . . ?
O4 C19 H7B 109.5 . . ?
H7A C19 H7B 109.5 . . ?
O4 C19 H7C 109.5 . . ?
H7A C19 H7C 109.5 . . ?
H7B C19 H7C 109.5 . . ?
C12 N1 C11 114.2(6) . . ?
C12 N1 Cu1 123.4(5) . . ?
C11 N1 Cu1 122.3(5) . . ?
C8 N2 C9 116.6(7) . . ?
C8 N2 Cu1 123.0(5) . . ?
C9 N2 Cu1 120.4(6) . . ?
O9 N3 O7 122.4(6) . . ?
O9 N3 O8 122.5(6) . . ?
O7 N3 O8 115.2(6) . . ?
O11 N4 O12 123.7(13) . . ?
O11 N4 O10 116.7(8) . . ?
O12 N4 O10 119.4(13) . . ?
O15 N5 O14 122.3(7) . . ?
O15 N5 O13 122.8(7) . . ?
O14 N5 O13 114.8(7) . . ?
C2 O1 C1 116.5(5) . . ?
C2 O1 Dy1 118.7(4) . . ?
C1 O1 Dy1 124.8(4) . . ?
C7 O2 Cu1 126.1(4) . . ?
C7 O2 Dy1 123.7(4) . . ?
Cu1 O2 Dy1 108.26(17) . . ?
C18 O3 Cu1 126.7(4) . . ?
C18 O3 Dy1 123.6(4) . . ?
Cu1 O3 Dy1 108.99(18) . . ?
C17 O4 C19 116.1(5) . . ?
C17 O4 Dy1 117.9(4) . . ?
C19 O4 Dy1 126.0(4) . . ?
C10 O6 H6 109.5 . . ?
N3 O7 Dy1 96.7(4) . . ?
N3 O8 Dy1 96.5(4) . . ?
N4 O10 Dy1 94.3(6) . . ?
N4 O11 Dy1 97.6(6) . . ?
N5 O13 Dy1 100.6(5) . . ?
N5 O14 Dy1 96.0(5) . . ?
O3 Cu1 O2 78.69(17) . . ?
O3 Cu1 N2 168.4(2) . . ?
O2 Cu1 N2 91.5(2) . . ?
O3 Cu1 N1 91.7(2) . . ?
O2 Cu1 N1 168.0(2) . . ?
N2 Cu1 N1 97.2(3) . . ?
O3 Cu1 O5 91.4(2) . . ?
O2 Cu1 O5 93.8(2) . . ?
N2 Cu1 O5 95.4(3) . . ?
N1 Cu1 O5 93.6(2) . . ?
O3 Dy1 O2 63.97(14) . . ?
O3 Dy1 O8 120.43(17) . . ?
O2 Dy1 O8 114.84(16) . . ?
O3 Dy1 O7 76.45(16) . . ?
O2 Dy1 O7 72.61(16) . . ?
O8 Dy1 O7 51.46(16) . . ?
O3 Dy1 O10 76.0(2) . . ?
O2 Dy1 O10 107.2(3) . . ?
O8 Dy1 O10 137.9(3) . . ?
O7 Dy1 O10 148.9(2) . . ?
O3 Dy1 O11 90.8(3) . . ?
O2 Dy1 O11 70.6(2) . . ?
O8 Dy1 O11 147.9(3) . . ?
O7 Dy1 O11 143.0(2) . . ?
O10 Dy1 O11 51.4(3) . . ?
O3 Dy1 O13 150.6(2) . . ?
O2 Dy1 O13 120.70(19) . . ?
O8 Dy1 O13 85.4(2) . . ?
O7 Dy1 O13 132.9(2) . . ?
O10 Dy1 O13 75.1(2) . . ?
O11 Dy1 O13 66.8(3) . . ?
O3 Dy1 O4 64.97(15) . . ?
O2 Dy1 O4 125.14(15) . . ?
O8 Dy1 O4 76.10(17) . . ?
O7 Dy1 O4 77.36(17) . . ?
O10 Dy1 O4 78.2(2) . . ?
O11 Dy1 O4 128.6(3) . . ?
O13 Dy1 O4 113.49(18) . . ?
O3 Dy1 O1 127.19(15) . . ?
O2 Dy1 O1 64.84(15) . . ?
O8 Dy1 O1 71.81(17) . . ?
O7 Dy1 O1 77.00(18) . . ?
O10 Dy1 O1 132.2(2) . . ?
O11 Dy1 O1 84.0(3) . . ?
O13 Dy1 O1 71.46(18) . . ?
O4 Dy1 O1 147.05(16) . . ?
O3 Dy1 O14 123.7(2) . . ?
O2 Dy1 O14 168.20(19) . . ?
O8 Dy1 O14 70.3(2) . . ?
O7 Dy1 O14 116.8(2) . . ?
O10 Dy1 O14 68.9(3) . . ?
O11 Dy1 O14 99.3(3) . . ?
O13 Dy1 O14 47.9(2) . . ?
O4 Dy1 O14 65.78(19) . . ?
O1 Dy1 O14 108.9(2) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        29.34
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.250
_refine_diff_density_min         -2.246
_refine_diff_density_rms         0.143
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1032248'
_audit_update_record             
;
2015-04-26 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H35 Co Dy N2 O14, C2 H3 O2, 3(H2 O)'
_chemical_formula_sum            'C27 H44 Co Dy N2 O19'
_chemical_formula_weight         922.07

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           Monoclinic
_symmetry_space_group_name_H-M   'P 21/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                   11.1816(2)
_cell_length_b                   20.7429(4)
_cell_length_c                   15.4433(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.7070(10)
_cell_angle_gamma                90.00
_cell_volume                     3494.17(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    155(2)
_cell_measurement_reflns_used    200
_cell_measurement_theta_min      1.67
_cell_measurement_theta_max      27.57

_exptl_crystal_description       'Block shape'
_exptl_crystal_colour            'Dark brown'
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1836.0
_exptl_absorpt_coefficient_mu    2.679
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.566
_exptl_absorpt_correction_T_max  0.765
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      155(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  'BRUKER SMART APEX-II CCD'
_diffrn_measurement_method       na
_diffrn_reflns_number            58025
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.67
_diffrn_reflns_theta_max         27.57
_reflns_number_total             8085
_reflns_number_gt                7112
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'BRUKER SMART APEX-II CCD'
_computing_cell_refinement       'BRUKER SMART APEX-II CCD'
_computing_data_reduction        'BRUKER SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Diamond 3.0'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_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)+(0.0417P)²+4.0227P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         8085
_refine_ls_number_parameters     490
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0277
_refine_ls_wR_factor_ref         0.0788
_refine_ls_wR_factor_gt          0.0750
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.004
_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 0.267336(13) 0.627393(6) 0.257316(9) 0.03143(6) Uani 1 1 d . . .
Co1 Co 0.24544(3) 0.464461(18) 0.25332(2) 0.02544(8) Uani 1 1 d . . .
O10 O 0.2238(2) 0.73125(10) 0.28287(16) 0.0467(6) Uani 1 1 d . . .
O1S O 0.8165(4) 0.80416(17) 0.9840(2) 0.0857(10) Uani 1 1 d . . .
O9 O 0.4042(2) 0.57134(10) 0.18881(15) 0.0403(5) Uani 1 1 d . . .
O2S O 0.8952(4) 0.6710(2) 0.3303(3) 0.1001(13) Uani 1 1 d . . .
O2 O 0.31923(17) 0.53022(9) 0.33566(12) 0.0274(4) Uani 1 1 d . . .
O3S O 0.6483(3) 0.6482(2) 0.2204(3) 0.1015(14) Uani 1 1 d . . .
C5 C 0.3600(3) 0.45678(17) 0.5558(2) 0.0419(7) Uani 1 1 d . . .
C4 C 0.3549(3) 0.51047(18) 0.6059(2) 0.0448(8) Uani 1 1 d . . .
H59 H 0.3616 0.5064 0.6681 0.054 Uiso 1 1 calc R . .
N1 N 0.3337(2) 0.39894(11) 0.32914(16) 0.0318(5) Uani 1 1 d . . .
O3 O 0.16745(18) 0.53530(9) 0.18344(13) 0.0311(4) Uani 1 1 d . . .
O7 O 0.11032(18) 0.46690(10) 0.31126(13) 0.0328(4) Uani 1 1 d . . .
O8 O 0.37703(18) 0.46474(9) 0.19482(14) 0.0329(4) Uani 1 1 d . . .
O14 O 0.0978(2) 0.60284(15) 0.32675(18) 0.0456(6) Uani 1 1 d . . .
O12 O 0.4691(3) 0.66855(14) 0.3099(2) 0.0516(6) Uani 1 1 d . . .
N2 N 0.1636(2) 0.40522(12) 0.16440(16) 0.0339(5) Uani 1 1 d . . .
C12 C 0.0565(3) 0.41661(16) 0.1164(2) 0.0394(7) Uani 1 1 d . . .
C14 C -0.1337(3) 0.4780(2) 0.0635(2) 0.0502(9) Uani 1 1 d . . .
H55 H -0.1742 0.4392 0.0409 0.060 Uiso 1 1 calc R . .
O4 O 0.0574(2) 0.64543(12) 0.14856(17) 0.0510(6) Uani 1 1 d . . .
C20 C 0.0582(3) 0.42280(17) 0.3477(2) 0.0416(7) Uani 1 1 d . . .
O13 O 0.2962(3) 0.68346(15) 0.1270(2) 0.0595(8) Uani 1 1 d . . .
C22 C 0.4298(3) 0.51503(15) 0.17384(19) 0.0329(6) Uani 1 1 d . . .
C7 C 0.3305(2) 0.52238(13) 0.42258(17) 0.0280(5) Uani 1 1 d . . .
C6 C 0.3469(2) 0.46171(14) 0.46340(19) 0.0316(6) Uani 1 1 d . . .
C3 C 0.3401(3) 0.57098(16) 0.5665(2) 0.0386(7) Uani 1 1 d . . .
H16 H 0.3367 0.6082 0.6017 0.046 Uiso 1 1 calc R . .
C2 C 0.3303(3) 0.57693(14) 0.47609(18) 0.0311(6) Uani 1 1 d . . .
O1 O 0.3224(2) 0.63469(9) 0.43173(14) 0.0387(5) Uani 1 1 d . . .
C1 C 0.2966(5) 0.69023(18) 0.4801(3) 0.0661(12) Uani 1 1 d . . .
H7A H 0.2174 0.6845 0.4964 0.099 Uiso 1 1 calc R . .
H7B H 0.2937 0.7287 0.4429 0.099 Uiso 1 1 calc R . .
H7C H 0.3612 0.6953 0.5339 0.099 Uiso 1 1 calc R . .
C8 C 0.3630(3) 0.40538(14) 0.4134(2) 0.0341(6) Uani 1 1 d . . .
H18 H 0.3992 0.3690 0.4464 0.041 Uiso 1 1 calc R . .
C9 C 0.3786(3) 0.34088(15) 0.2905(2) 0.0434(7) Uani 1 1 d . . .
H9A H 0.4129 0.3104 0.3389 0.052 Uiso 1 1 calc R . .
H9B H 0.4457 0.3536 0.2615 0.052 Uiso 1 1 calc R . .
C10 C 0.2802(3) 0.30698(15) 0.2233(2) 0.0452(8) Uani 1 1 d . . .
H10 H 0.3210 0.2695 0.2011 0.054 Uiso 1 1 calc R . .
C11 C 0.2277(3) 0.34764(15) 0.1432(2) 0.0432(7) Uani 1 1 d . . .
H12A H 0.2950 0.3611 0.1149 0.052 Uiso 1 1 calc R . .
H12B H 0.1698 0.3211 0.0998 0.052 Uiso 1 1 calc R . .
C13 C -0.0105(3) 0.47598(16) 0.11115(19) 0.0380(7) Uani 1 1 d . . .
C15 C -0.1945(3) 0.5349(2) 0.0499(2) 0.0578(10) Uani 1 1 d . . .
H14 H -0.2785 0.5356 0.0202 0.069 Uiso 1 1 calc R . .
C16 C -0.1349(3) 0.5923(2) 0.0791(2) 0.0527(9) Uani 1 1 d . . .
H17 H -0.1783 0.6320 0.0696 0.063 Uiso 1 1 calc R . .
C17 C -0.0131(3) 0.59175(17) 0.1218(2) 0.0411(7) Uani 1 1 d . . .
C18 C 0.0507(3) 0.53334(15) 0.14144(18) 0.0339(6) Uani 1 1 d . . .
C19 C 0.0062(5) 0.7069(2) 0.1167(3) 0.0716(13) Uani 1 1 d . . .
H18A H -0.0156 0.7064 0.0516 0.107 Uiso 1 1 calc R . .
H18B H 0.0667 0.7409 0.1370 0.107 Uiso 1 1 calc R . .
H18C H -0.0673 0.7151 0.1397 0.107 Uiso 1 1 calc R . .
C21 C -0.0381(5) 0.4464(3) 0.3931(4) 0.0959(19) Uani 1 1 d . . .
H21A H -0.1028 0.4138 0.3881 0.144 Uiso 1 1 calc R . .
H21B H -0.0733 0.4866 0.3652 0.144 Uiso 1 1 calc R . .
H21C H -0.0016 0.4543 0.4560 0.144 Uiso 1 1 calc R . .
C23 C 0.5318(3) 0.50204(18) 0.1275(2) 0.0498(8) Uani 1 1 d . . .
H24 H 0.5168 0.5257 0.0713 0.075 Uiso 1 1 calc R . .
H25 H 0.5356 0.4557 0.1158 0.075 Uiso 1 1 calc R . .
H23 H 0.6097 0.5161 0.1652 0.075 Uiso 1 1 calc R . .
O15 O 0.5252(6) 0.7824(3) 0.4143(4) 0.173(3) Uani 1 1 d . . .
C26 C 0.5487(4) 0.7980(2) 0.4912(3) 0.0557(9) Uani 1 1 d . . .
C27 C 0.4941(6) 0.8371(3) 0.5169(4) 0.0927(17) Uani 1 1 d . . .
H27A H 0.5088 0.8345 0.5817 0.139 Uiso 1 1 calc R . .
H27B H 0.4066 0.8312 0.4912 0.139 Uiso 1 1 calc R . .
H27C H 0.5201 0.8795 0.4998 0.139 Uiso 1 1 calc R . .
O5 O 0.1873(3) 0.28104(12) 0.26116(19) 0.0580(7) Uani 1 1 d . . .
H12 H 0.1556 0.3106 0.2858 0.087 Uiso 1 1 calc R . .
C24 C 0.2509(3) 0.78803(18) 0.2597(2) 0.0489(9) Uani 1 1 d . . .
C25 C 0.2229(5) 0.8423(2) 0.3162(3) 0.0769(14) Uani 1 1 d . . .
H58A H 0.2804 0.8412 0.3740 0.115 Uiso 1 1 calc R . .
H58B H 0.1389 0.8378 0.3245 0.115 Uiso 1 1 calc R . .
H58C H 0.2309 0.8835 0.2869 0.115 Uiso 1 1 calc R . .
O11 O 0.2949(4) 0.79928(14) 0.1953(2) 0.0843(11) Uani 1 1 d . . .
O16 O 0.6273(7) 0.7725(4) 0.5350(5) 0.214(4) Uani 1 1 d . . .
O6 O 0.0800(3) 0.36491(12) 0.34830(19) 0.0561(7) Uani 1 1 d . . .
H3 H 0.371(3) 0.4162(18) 0.582(2) 0.046(10) Uiso 1 1 d . . .
H6 H 0.017(4) 0.3837(17) 0.076(3) 0.048(10) Uiso 1 1 d . . .
H58 H 0.529(5) 0.660(2) 0.283(3) 0.080(15) Uiso 1 1 d . . .
H57 H 0.482(4) 0.695(2) 0.339(3) 0.051(13) Uiso 1 1 d . . .
H66 H 0.036(5) 0.619(2) 0.332(3) 0.076(16) Uiso 1 1 d . . .
H61 H 0.351(4) 0.674(2) 0.111(3) 0.053(14) Uiso 1 1 d . . .
H64 H 0.316(6) 0.724(3) 0.143(4) 0.12(2) Uiso 1 1 d . . .
H70 H 0.080(5) 0.567(3) 0.326(4) 0.087(19) Uiso 1 1 d . . .


_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 O10 2.262(2) . ?
Dy1 O9 2.350(2) . ?
Dy1 O2 2.3569(18) . ?
Dy1 O3 2.3744(19) . ?
Dy1 O12 2.382(3) . ?
Dy1 O13 2.407(3) . ?
Dy1 O14 2.428(3) . ?
Dy1 O4 2.595(2) . ?
Dy1 O1 2.632(2) . ?
Co1 O8 1.888(2) . ?
Co1 O3 1.9158(19) . ?
Co1 O7 1.918(2) . ?
Co1 N2 1.918(2) . ?
Co1 N1 1.919(2) . ?
Co1 O2 1.9227(19) . ?
O10 C24 1.287(4) . ?
O9 C22 1.237(4) . ?
O2 C7 1.330(3) . ?
C5 C4 1.365(5) . ?
C5 C6 1.406(4) . ?
C5 H3 0.93(4) . ?
C4 C3 1.389(5) . ?
C4 H59 0.9500 . ?
N1 C8 1.277(4) . ?
N1 C9 1.481(4) . ?
O3 C18 1.325(3) . ?
O7 C20 1.280(4) . ?
O8 C22 1.275(4) . ?
O14 H66 0.78(6) . ?
O14 H70 0.77(6) . ?
O12 H58 0.88(5) . ?
O12 H57 0.70(4) . ?
N2 C12 1.284(4) . ?
N2 C11 1.467(4) . ?
C12 C13 1.435(5) . ?
C12 H6 0.96(4) . ?
C14 C15 1.356(6) . ?
C14 C13 1.412(4) . ?
C14 H55 0.9500 . ?
O4 C17 1.374(4) . ?
O4 C19 1.439(4) . ?
C20 O6 1.225(4) . ?
C20 C21 1.491(5) . ?
O13 H61 0.74(4) . ?
O13 H64 0.89(6) . ?
C22 C23 1.498(4) . ?
C7 C2 1.401(4) . ?
C7 C6 1.401(4) . ?
C6 C8 1.434(4) . ?
C3 C2 1.382(4) . ?
C3 H16 0.9500 . ?
C2 O1 1.373(3) . ?
O1 C1 1.436(4) . ?
C1 H7A 0.9800 . ?
C1 H7B 0.9800 . ?
C1 H7C 0.9800 . ?
C8 H18 0.9500 . ?
C9 C10 1.510(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 O5 1.406(5) . ?
C10 C11 1.505(5) . ?
C10 H10 1.0000 . ?
C11 H12A 0.9900 . ?
C11 H12B 0.9900 . ?
C13 C18 1.401(4) . ?
C15 C16 1.390(6) . ?
C15 H14 0.9500 . ?
C16 C17 1.377(5) . ?
C16 H17 0.9500 . ?
C17 C18 1.405(4) . ?
C19 H18A 0.9800 . ?
C19 H18B 0.9800 . ?
C19 H18C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C23 H24 0.9800 . ?
C23 H25 0.9800 . ?
C23 H23 0.9800 . ?
O15 C26 1.203(6) . ?
C26 O16 1.117(7) . ?
C26 C27 1.138(6) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
O5 H12 0.8400 . ?
C24 O11 1.225(4) . ?
C24 C25 1.500(5) . ?
C25 H58A 0.9800 . ?
C25 H58B 0.9800 . ?
C25 H58C 0.9800 . ?

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
O10 Dy1 O9 137.39(8) . . ?
O10 Dy1 O2 139.73(7) . . ?
O9 Dy1 O2 72.35(7) . . ?
O10 Dy1 O3 138.89(8) . . ?
O9 Dy1 O3 70.71(7) . . ?
O2 Dy1 O3 66.12(7) . . ?
O10 Dy1 O12 79.82(10) . . ?
O9 Dy1 O12 70.69(10) . . ?
O2 Dy1 O12 91.35(9) . . ?
O3 Dy1 O12 139.68(9) . . ?
O10 Dy1 O13 76.07(10) . . ?
O9 Dy1 O13 69.04(10) . . ?
O2 Dy1 O13 141.20(9) . . ?
O3 Dy1 O13 97.04(10) . . ?
O12 Dy1 O13 79.67(11) . . ?
O10 Dy1 O14 84.49(10) . . ?
O9 Dy1 O14 138.04(9) . . ?
O2 Dy1 O14 73.85(8) . . ?
O3 Dy1 O14 73.32(8) . . ?
O12 Dy1 O14 134.22(10) . . ?
O13 Dy1 O14 137.06(11) . . ?
O10 Dy1 O4 77.11(9) . . ?
O9 Dy1 O4 111.44(8) . . ?
O2 Dy1 O4 122.75(7) . . ?
O3 Dy1 O4 62.75(7) . . ?
O12 Dy1 O4 145.40(9) . . ?
O13 Dy1 O4 70.00(11) . . ?
O14 Dy1 O4 68.49(9) . . ?
O10 Dy1 O1 77.15(7) . . ?
O9 Dy1 O1 117.40(8) . . ?
O2 Dy1 O1 63.13(6) . . ?
O3 Dy1 O1 121.16(6) . . ?
O12 Dy1 O1 68.87(9) . . ?
O13 Dy1 O1 141.60(10) . . ?
O14 Dy1 O1 65.77(8) . . ?
O4 Dy1 O1 128.95(8) . . ?
O8 Co1 O3 91.96(9) . . ?
O8 Co1 O7 178.16(9) . . ?
O3 Co1 O7 86.27(9) . . ?
O8 Co1 N2 87.64(10) . . ?
O3 Co1 N2 90.10(10) . . ?
O7 Co1 N2 92.87(10) . . ?
O8 Co1 N1 86.79(10) . . ?
O3 Co1 N1 174.90(9) . . ?
O7 Co1 N1 94.93(10) . . ?
N2 Co1 N1 94.78(11) . . ?
O8 Co1 O2 92.76(8) . . ?
O3 Co1 O2 84.51(8) . . ?
O7 Co1 O2 86.57(8) . . ?
N2 Co1 O2 174.61(9) . . ?
N1 Co1 O2 90.61(9) . . ?
C24 O10 Dy1 138.6(2) . . ?
C22 O9 Dy1 138.76(19) . . ?
C7 O2 Co1 120.81(17) . . ?
C7 O2 Dy1 125.48(16) . . ?
Co1 O2 Dy1 104.23(8) . . ?
C4 C5 C6 120.6(3) . . ?
C4 C5 H3 120(2) . . ?
C6 C5 H3 119(2) . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H59 119.8 . . ?
C3 C4 H59 119.8 . . ?
C8 N1 C9 117.5(3) . . ?
C8 N1 Co1 122.0(2) . . ?
C9 N1 Co1 120.3(2) . . ?
C18 O3 Co1 121.99(18) . . ?
C18 O3 Dy1 124.67(18) . . ?
Co1 O3 Dy1 103.81(8) . . ?
C20 O7 Co1 131.9(2) . . ?
C22 O8 Co1 125.22(19) . . ?
Dy1 O14 H66 138(4) . . ?
Dy1 O14 H70 115(4) . . ?
H66 O14 H70 100(5) . . ?
Dy1 O12 H58 122(3) . . ?
Dy1 O12 H57 123(4) . . ?
H58 O12 H57 112(5) . . ?
C12 N2 C11 117.4(3) . . ?
C12 N2 Co1 122.2(2) . . ?
C11 N2 Co1 120.1(2) . . ?
N2 C12 C13 126.9(3) . . ?
N2 C12 H6 119(2) . . ?
C13 C12 H6 114(2) . . ?
C15 C14 C13 120.3(4) . . ?
C15 C14 H55 119.9 . . ?
C13 C14 H55 119.9 . . ?
C17 O4 C19 117.1(3) . . ?
C17 O4 Dy1 117.07(18) . . ?
C19 O4 Dy1 125.8(2) . . ?
O6 C20 O7 126.5(3) . . ?
O6 C20 C21 118.8(3) . . ?
O7 C20 C21 114.7(3) . . ?
Dy1 O13 H61 116(3) . . ?
Dy1 O13 H64 107(4) . . ?
H61 O13 H64 99(5) . . ?
O9 C22 O8 125.9(3) . . ?
O9 C22 C23 119.4(3) . . ?
O8 C22 C23 114.7(3) . . ?
O2 C7 C2 119.0(2) . . ?
O2 C7 C6 122.5(2) . . ?
C2 C7 C6 118.5(2) . . ?
C7 C6 C5 119.7(3) . . ?
C7 C6 C8 120.6(3) . . ?
C5 C6 C8 119.4(3) . . ?
C2 C3 C4 119.9(3) . . ?
C2 C3 H16 120.0 . . ?
C4 C3 H16 120.0 . . ?
O1 C2 C3 124.3(3) . . ?
O1 C2 C7 114.7(2) . . ?
C3 C2 C7 120.9(3) . . ?
C2 O1 C1 116.0(2) . . ?
C2 O1 Dy1 115.80(16) . . ?
C1 O1 Dy1 123.3(2) . . ?
O1 C1 H7A 109.5 . . ?
O1 C1 H7B 109.5 . . ?
H7A C1 H7B 109.5 . . ?
O1 C1 H7C 109.5 . . ?
H7A C1 H7C 109.5 . . ?
H7B C1 H7C 109.5 . . ?
N1 C8 C6 126.9(3) . . ?
N1 C8 H18 116.6 . . ?
C6 C8 H18 116.6 . . ?
N1 C9 C10 113.3(3) . . ?
N1 C9 H9A 108.9 . . ?
C10 C9 H9A 108.9 . . ?
N1 C9 H9B 108.9 . . ?
C10 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
O5 C10 C11 111.5(3) . . ?
O5 C10 C9 112.7(3) . . ?
C11 C10 C9 113.4(3) . . ?
O5 C10 H10 106.2 . . ?
C11 C10 H10 106.2 . . ?
C9 C10 H10 106.2 . . ?
N2 C11 C10 113.2(3) . . ?
N2 C11 H12A 108.9 . . ?
C10 C11 H12A 108.9 . . ?
N2 C11 H12B 108.9 . . ?
C10 C11 H12B 108.9 . . ?
H12A C11 H12B 107.7 . . ?
C18 C13 C14 119.9(3) . . ?
C18 C13 C12 120.0(3) . . ?
C14 C13 C12 119.5(3) . . ?
C14 C15 C16 120.5(3) . . ?
C14 C15 H14 119.7 . . ?
C16 C15 H14 119.7 . . ?
C17 C16 C15 120.1(4) . . ?
C17 C16 H17 119.9 . . ?
C15 C16 H17 119.9 . . ?
O4 C17 C16 125.4(3) . . ?
O4 C17 C18 113.8(3) . . ?
C16 C17 C18 120.8(3) . . ?
O3 C18 C13 123.1(3) . . ?
O3 C18 C17 118.6(3) . . ?
C13 C18 C17 118.2(3) . . ?
O4 C19 H18A 109.5 . . ?
O4 C19 H18B 109.5 . . ?
H18A C19 H18B 109.5 . . ?
O4 C19 H18C 109.5 . . ?
H18A C19 H18C 109.5 . . ?
H18B C19 H18C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C22 C23 H24 109.5 . . ?
C22 C23 H25 109.5 . . ?
H24 C23 H25 109.5 . . ?
C22 C23 H23 109.5 . . ?
H24 C23 H23 109.5 . . ?
H25 C23 H23 109.5 . . ?
O16 C26 C27 122.5(7) . . ?
O16 C26 O15 116.3(7) . . ?
C27 C26 O15 121.2(7) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C10 O5 H12 109.5 . . ?
O11 C24 O10 124.2(3) . . ?
O11 C24 C25 120.1(4) . . ?
O10 C24 C25 115.7(3) . . ?
C24 C25 H58A 109.5 . . ?
C24 C25 H58B 109.5 . . ?
H58A C25 H58B 109.5 . . ?
C24 C25 H58C 109.5 . . ?
H58A C25 H58C 109.5 . . ?
H58B C25 H58C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.57
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.848
_refine_diff_density_rms         0.085
