# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_Compound1
_database_code_depnum_ccdc_archive 'CCDC 1457093'
_audit_update_record             
;
2016-03-02 deposited with the CCDC.
2016-03-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H28 Co Dy N4 O14'
_chemical_formula_weight         817.93

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   11.029(2)
_cell_length_b                   14.281(3)
_cell_length_c                   18.943(4)
_cell_angle_alpha                90
_cell_angle_beta                 96.809(7)
_cell_angle_gamma                90
_cell_volume                     2962.6(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8596
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      25.62

_exptl_crystal_description       Needle
_exptl_crystal_colour            Brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_F_000             1620
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.137
_shelx_estimated_absorpt_T_min   0.573
_shelx_estimated_absorpt_T_max   0.705
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.584
_exptl_absorpt_correction_T_max  0.716
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65720
_diffrn_reflns_av_unetI/netI     0.0474
_diffrn_reflns_av_R_equivalents  0.1148
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.344
_diffrn_reflns_theta_max         25.773
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5656
_reflns_number_gt                4186
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0215P)²+1.8161P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5656
_refine_ls_number_parameters     401
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0582
_refine_ls_wR_factor_gt          0.0515
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.48652(2) 0.66571(2) 0.22319(2) 0.02640(6) Uani 1 1 d . . . . .
Co1 Co 0.30493(5) 0.63863(4) 0.34275(3) 0.02416(13) Uani 1 1 d . . . . .
O7 O 0.1964(2) 0.72786(19) 0.29450(14) 0.0292(7) Uani 1 1 d . . . . .
O2 O 0.3252(2) 0.57715(19) 0.25688(13) 0.0255(6) Uani 1 1 d . . . . .
O5 O 0.4161(3) 0.5506(2) 0.39102(14) 0.0310(7) Uani 1 1 d . . . . .
O6 O 0.5552(2) 0.5546(2) 0.31172(15) 0.0331(7) Uani 1 1 d . . . . .
O1 O 0.4374(2) 0.72054(19) 0.33159(13) 0.0252(6) Uani 1 1 d . . . . .
O8 O 0.3048(2) 0.7523(2) 0.20268(14) 0.0344(7) Uani 1 1 d . . . . .
O10 O 0.4765(3) 0.7280(3) 0.09902(16) 0.0463(8) Uani 1 1 d . . . . .
O9 O 0.5436(3) 0.8213(2) 0.18407(17) 0.0462(8) Uani 1 1 d . . . . .
O3 O 0.6606(2) 0.7421(2) 0.30696(15) 0.0390(8) Uani 1 1 d . . . . .
O4 O 0.3671(3) 0.5584(2) 0.12912(14) 0.0367(7) Uani 1 1 d . . . . .
O12 O 0.6498(3) 0.5976(3) 0.17697(17) 0.0527(10) Uani 1 1 d . . . . .
N2 N 0.1677(3) 0.5649(2) 0.35651(17) 0.0304(8) Uani 1 1 d . . . . .
N1 N 0.2825(3) 0.6938(2) 0.43081(17) 0.0316(9) Uani 1 1 d . . . . .
N3 N 0.5096(4) 0.8093(3) 0.1181(2) 0.0469(11) Uani 1 1 d . . . . .
O11 O 0.5103(4) 0.8741(3) 0.0763(2) 0.0826(14) Uani 1 1 d . . . . .
C23 C 0.2151(4) 0.7666(3) 0.2360(2) 0.0288(10) Uani 1 1 d . . . . .
C10 C 0.0972(4) 0.5231(3) 0.3082(2) 0.0352(11) Uani 1 1 d . . . . .
H10 H 0.0275 0.4942 0.3212 0.042 Uiso 1 1 calc R U . . .
C16 C 0.2311(4) 0.5437(3) 0.2131(2) 0.0266(9) Uani 1 1 d . . . . .
C11 C 0.1193(4) 0.5179(3) 0.2345(2) 0.0319(10) Uani 1 1 d . . . . .
C21 C 0.5173(4) 0.5282(3) 0.3685(2) 0.0337(10) Uani 1 1 d . . . . .
C1 C 0.5179(4) 0.7415(3) 0.3876(2) 0.0273(9) Uani 1 1 d . . . . .
C7 C 0.3629(4) 0.7371(3) 0.4719(2) 0.0354(11) Uani 1 1 d . . . . .
H7 H 0.3410 0.7594 0.5147 0.042 Uiso 1 1 calc R U . . .
C15 C 0.2509(4) 0.5320(3) 0.1422(2) 0.0308(10) Uani 1 1 d . . . . .
C12 C 0.0273(4) 0.4829(3) 0.1837(3) 0.0425(12) Uani 1 1 d . . . . .
H12 H -0.0474 0.4651 0.1976 0.051 Uiso 1 1 calc R U . . .
C24 C 0.1198(4) 0.8346(4) 0.2065(2) 0.0472(12) Uani 1 1 d . . . . .
H24A H 0.1468 0.8664 0.1665 0.071 Uiso 1 1 calc R U . . .
H24B H 0.1060 0.8795 0.2424 0.071 Uiso 1 1 calc R U . . .
H24C H 0.0453 0.8017 0.1915 0.071 Uiso 1 1 calc R U . . .
C9 C 0.1365(4) 0.5712(3) 0.4296(2) 0.0425(12) Uani 1 1 d . . . . .
H9A H 0.1868 0.5290 0.4607 0.051 Uiso 1 1 calc R U . . .
H9B H 0.0513 0.5556 0.4313 0.051 Uiso 1 1 calc R U . . .
C8 C 0.1611(4) 0.6718(4) 0.4515(2) 0.0446(12) Uani 1 1 d . . . . .
H8A H 0.0996 0.7128 0.4272 0.054 Uiso 1 1 calc R U . . .
H8B H 0.1607 0.6790 0.5023 0.054 Uiso 1 1 calc R U . . .
C6 C 0.4851(4) 0.7537(3) 0.4566(2) 0.0341(10) Uani 1 1 d . . . . .
C2 C 0.6403(4) 0.7549(3) 0.3769(2) 0.0340(10) Uani 1 1 d . . . . .
C14 C 0.1600(4) 0.4983(3) 0.0931(2) 0.0407(11) Uani 1 1 d . . . . .
H14A H 0.1740 0.4910 0.0459 0.049 Uiso 1 1 calc R U . . .
C19 C 0.4180(4) 0.5121(3) 0.0714(2) 0.0432(12) Uani 1 1 d . . . . .
H19A H 0.4932 0.5431 0.0629 0.052 Uiso 1 1 calc R U . . .
H19B H 0.3611 0.5168 0.0284 0.052 Uiso 1 1 calc R U . . .
C13 C 0.0470(4) 0.4749(3) 0.1138(2) 0.0467(13) Uani 1 1 d . . . . .
H13 H -0.0154 0.4539 0.0802 0.056 Uiso 1 1 calc R U . . .
C5 C 0.5742(5) 0.7797(3) 0.5117(2) 0.0458(13) Uani 1 1 d . . . . .
H5 H 0.5522 0.7897 0.5571 0.055 Uiso 1 1 calc R U . . .
C3 C 0.7263(4) 0.7785(4) 0.4324(3) 0.0523(14) Uani 1 1 d . . . . .
H3 H 0.8074 0.7864 0.4246 0.063 Uiso 1 1 calc R U . . .
C22 C 0.5973(5) 0.4636(4) 0.4159(3) 0.0594(15) Uani 1 1 d . . . . .
H22A H 0.6437 0.4249 0.3875 0.089 Uiso 1 1 calc R U . . .
H22B H 0.5474 0.4247 0.4421 0.089 Uiso 1 1 calc R U . . .
H22C H 0.6519 0.4997 0.4485 0.089 Uiso 1 1 calc R U . . .
C17 C 0.7817(4) 0.7636(4) 0.2875(3) 0.0592(16) Uani 1 1 d . . . . .
H17A H 0.8136 0.8192 0.3126 0.071 Uiso 1 1 calc R U . . .
H17B H 0.7764 0.7759 0.2369 0.071 Uiso 1 1 calc R U . . .
C4 C 0.6930(5) 0.7908(4) 0.5000(3) 0.0575(15) Uani 1 1 d . . . . .
H4 H 0.7517 0.8066 0.5374 0.069 Uiso 1 1 calc R U . . .
C20 C 0.4433(6) 0.4114(4) 0.0883(3) 0.081(2) Uani 1 1 d . . . . .
H20A H 0.5067 0.4067 0.1275 0.121 Uiso 1 1 calc R U . . .
H20B H 0.4690 0.3806 0.0475 0.121 Uiso 1 1 calc R U . . .
H20C H 0.3705 0.3820 0.1008 0.121 Uiso 1 1 calc R U . . .
C18 C 0.8663(5) 0.6816(6) 0.3066(4) 0.102(3) Uani 1 1 d . . . . .
H18A H 0.8827 0.6767 0.3573 0.153 Uiso 1 1 calc R U . . .
H18B H 0.9415 0.6912 0.2867 0.153 Uiso 1 1 calc R U . . .
H18C H 0.8283 0.6250 0.2877 0.153 Uiso 1 1 calc R U . . .
N4 N 0.7151(4) 0.6143(5) 0.1268(2) 0.0642(14) Uani 1 1 d . . . . .
O13 O 0.7585(5) 0.6937(4) 0.1222(3) 0.1027(18) Uani 1 1 d . . . . .
O14 O 0.7339(4) 0.5505(4) 0.0868(2) 0.1082(19) 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
Dy1 O12 2.309(3) . ?
Dy1 O1 2.321(2) . ?
Dy1 O2 2.333(3) . ?
Dy1 O8 2.348(3) . ?
Dy1 O6 2.367(3) . ?
Dy1 O9 2.448(3) . ?
Dy1 O10 2.505(3) . ?
Dy1 O3 2.583(3) . ?
Dy1 O4 2.589(3) . ?
Dy1 N3 2.891(4) . ?
Dy1 Co1 3.2195(7) . ?
Co1 O2 1.885(3) . ?
Co1 N2 1.887(3) . ?
Co1 N1 1.888(3) . ?
Co1 O1 1.902(3) . ?
Co1 O7 1.906(3) . ?
Co1 O5 1.912(3) . ?
O7 C23 1.277(5) . ?
O2 C16 1.337(5) . ?
O5 C21 1.282(5) . ?
O6 C21 1.257(5) . ?
O1 C1 1.335(5) . ?
O8 C23 1.251(5) . ?
O10 N3 1.258(5) . ?
O9 N3 1.273(5) . ?
O3 C2 1.382(5) . ?
O3 C17 1.459(5) . ?
O4 C15 1.387(5) . ?
O4 C19 1.447(5) . ?
O12 N4 1.281(5) . ?
N2 C10 1.277(5) . ?
N2 C9 1.469(5) . ?
N1 C7 1.269(5) . ?
N1 C8 1.473(5) . ?
N3 O11 1.218(5) . ?
C23 C24 1.491(6) . ?
C10 C11 1.449(6) . ?
C10 H10 0.9300 . ?
C16 C11 1.392(5) . ?
C16 C15 1.396(5) . ?
C11 C12 1.404(6) . ?
C21 C22 1.500(6) . ?
C1 C2 1.403(6) . ?
C1 C6 1.407(5) . ?
C7 C6 1.431(6) . ?
C7 H7 0.9300 . ?
C15 C14 1.372(6) . ?
C12 C13 1.372(6) . ?
C12 H12 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C9 C8 1.510(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C6 C5 1.397(6) . ?
C2 C3 1.372(6) . ?
C14 C13 1.391(6) . ?
C14 H14A 0.9300 . ?
C19 C20 1.493(7) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C13 H13 0.9300 . ?
C5 C4 1.364(7) . ?
C5 H5 0.9300 . ?
C3 C4 1.384(7) . ?
C3 H3 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C17 C18 1.515(8) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C4 H4 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
N4 O14 1.219(6) . ?
N4 O13 1.237(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
O12 Dy1 O1 138.78(10) . . ?
O12 Dy1 O2 121.98(11) . . ?
O1 Dy1 O2 71.04(9) . . ?
O12 Dy1 O8 148.02(10) . . ?
O1 Dy1 O8 71.60(9) . . ?
O2 Dy1 O8 70.56(10) . . ?
O12 Dy1 O6 77.74(10) . . ?
O1 Dy1 O6 71.82(9) . . ?
O2 Dy1 O6 68.46(9) . . ?
O8 Dy1 O6 131.71(9) . . ?
O12 Dy1 O9 91.59(12) . . ?
O1 Dy1 O9 93.27(10) . . ?
O2 Dy1 O9 143.78(10) . . ?
O8 Dy1 O9 73.55(10) . . ?
O6 Dy1 O9 138.67(10) . . ?
O12 Dy1 O10 75.12(11) . . ?
O1 Dy1 O10 136.22(10) . . ?
O2 Dy1 O10 119.95(10) . . ?
O8 Dy1 O10 73.49(10) . . ?
O6 Dy1 O10 151.42(10) . . ?
O9 Dy1 O10 51.52(11) . . ?
O12 Dy1 O3 81.64(11) . . ?
O1 Dy1 O3 63.17(9) . . ?
O2 Dy1 O3 126.61(9) . . ?
O8 Dy1 O3 115.90(10) . . ?
O6 Dy1 O3 72.30(10) . . ?
O9 Dy1 O3 66.64(10) . . ?
O10 Dy1 O3 111.95(11) . . ?
O12 Dy1 O4 81.11(11) . . ?
O1 Dy1 O4 130.96(9) . . ?
O2 Dy1 O4 61.65(9) . . ?
O8 Dy1 O4 81.00(10) . . ?
O6 Dy1 O4 100.63(10) . . ?
O9 Dy1 O4 117.20(10) . . ?
O10 Dy1 O4 66.53(11) . . ?
O3 Dy1 O4 162.42(9) . . ?
O12 Dy1 N3 84.36(11) . . ?
O1 Dy1 N3 114.76(11) . . ?
O2 Dy1 N3 134.87(11) . . ?
O8 Dy1 N3 69.84(10) . . ?
O6 Dy1 N3 156.47(11) . . ?
O9 Dy1 N3 25.93(11) . . ?
O10 Dy1 N3 25.71(11) . . ?
O3 Dy1 N3 90.21(12) . . ?
O4 Dy1 N3 91.45(12) . . ?
O12 Dy1 Co1 142.59(9) . . ?
O1 Dy1 Co1 35.72(6) . . ?
O2 Dy1 Co1 35.33(6) . . ?
O8 Dy1 Co1 65.78(7) . . ?
O6 Dy1 Co1 66.07(7) . . ?
O9 Dy1 Co1 121.71(7) . . ?
O10 Dy1 Co1 137.85(7) . . ?
O3 Dy1 Co1 95.60(6) . . ?
O4 Dy1 Co1 96.03(6) . . ?
N3 Dy1 Co1 133.05(7) . . ?
O2 Co1 N2 92.21(13) . . ?
O2 Co1 N1 176.86(13) . . ?
N2 Co1 N1 85.38(14) . . ?
O2 Co1 O1 91.11(11) . . ?
N2 Co1 O1 175.80(13) . . ?
N1 Co1 O1 91.40(13) . . ?
O2 Co1 O7 91.70(11) . . ?
N2 Co1 O7 88.33(13) . . ?
N1 Co1 O7 90.23(14) . . ?
O1 Co1 O7 89.00(12) . . ?
O2 Co1 O5 88.37(12) . . ?
N2 Co1 O5 92.64(14) . . ?
N1 Co1 O5 89.75(14) . . ?
O1 Co1 O5 90.04(12) . . ?
O7 Co1 O5 179.03(12) . . ?
O2 Co1 Dy1 45.70(8) . . ?
N2 Co1 Dy1 137.75(10) . . ?
N1 Co1 Dy1 136.83(11) . . ?
O1 Co1 Dy1 45.43(8) . . ?
O7 Co1 Dy1 89.44(8) . . ?
O5 Co1 Dy1 89.92(8) . . ?
C23 O7 Co1 123.3(2) . . ?
C16 O2 Co1 122.6(2) . . ?
C16 O2 Dy1 125.8(2) . . ?
Co1 O2 Dy1 98.97(11) . . ?
C21 O5 Co1 122.6(3) . . ?
C21 O6 Dy1 134.1(3) . . ?
C1 O1 Co1 119.8(2) . . ?
C1 O1 Dy1 125.2(2) . . ?
Co1 O1 Dy1 98.84(11) . . ?
C23 O8 Dy1 135.5(3) . . ?
N3 O10 Dy1 94.5(3) . . ?
N3 O9 Dy1 96.8(3) . . ?
C2 O3 C17 118.1(3) . . ?
C2 O3 Dy1 116.9(2) . . ?
C17 O3 Dy1 124.7(3) . . ?
C15 O4 C19 117.5(3) . . ?
C15 O4 Dy1 116.3(2) . . ?
C19 O4 Dy1 125.4(3) . . ?
N4 O12 Dy1 137.3(3) . . ?
C10 N2 C9 120.9(4) . . ?
C10 N2 Co1 126.3(3) . . ?
C9 N2 Co1 112.2(3) . . ?
C7 N1 C8 122.2(4) . . ?
C7 N1 Co1 126.2(3) . . ?
C8 N1 Co1 111.4(3) . . ?
O11 N3 O10 122.6(5) . . ?
O11 N3 O9 120.8(5) . . ?
O10 N3 O9 116.6(4) . . ?
O11 N3 Dy1 173.8(3) . . ?
O10 N3 Dy1 59.7(2) . . ?
O9 N3 Dy1 57.2(2) . . ?
O8 C23 O7 125.9(4) . . ?
O8 C23 C24 118.8(4) . . ?
O7 C23 C24 115.3(4) . . ?
N2 C10 C11 123.8(4) . . ?
N2 C10 H10 118.1 . . ?
C11 C10 H10 118.1 . . ?
O2 C16 C11 124.3(4) . . ?
O2 C16 C15 116.2(4) . . ?
C11 C16 C15 119.4(4) . . ?
C16 C11 C12 119.3(4) . . ?
C16 C11 C10 121.5(4) . . ?
C12 C11 C10 119.2(4) . . ?
O6 C21 O5 127.0(4) . . ?
O6 C21 C22 117.7(4) . . ?
O5 C21 C22 115.3(4) . . ?
O1 C1 C2 118.5(3) . . ?
O1 C1 C6 123.1(4) . . ?
C2 C1 C6 118.4(4) . . ?
N1 C7 C6 124.2(4) . . ?
N1 C7 H7 117.9 . . ?
C6 C7 H7 117.9 . . ?
C14 C15 O4 126.2(4) . . ?
C14 C15 C16 120.7(4) . . ?
O4 C15 C16 113.1(3) . . ?
C13 C12 C11 120.4(4) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C9 C8 105.2(3) . . ?
N2 C9 H9A 110.7 . . ?
C8 C9 H9A 110.7 . . ?
N2 C9 H9B 110.7 . . ?
C8 C9 H9B 110.7 . . ?
H9A C9 H9B 108.8 . . ?
N1 C8 C9 105.6(4) . . ?
N1 C8 H8A 110.6 . . ?
C9 C8 H8A 110.6 . . ?
N1 C8 H8B 110.6 . . ?
C9 C8 H8B 110.6 . . ?
H8A C8 H8B 108.7 . . ?
C5 C6 C1 119.4(4) . . ?
C5 C6 C7 119.2(4) . . ?
C1 C6 C7 121.3(4) . . ?
C3 C2 O3 126.3(4) . . ?
C3 C2 C1 120.9(4) . . ?
O3 C2 C1 112.9(4) . . ?
C15 C14 C13 120.0(4) . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
O4 C19 C20 110.9(4) . . ?
O4 C19 H19A 109.5 . . ?
C20 C19 H19A 109.5 . . ?
O4 C19 H19B 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 108.0 . . ?
C12 C13 C14 120.1(4) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C4 C5 C6 120.9(4) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C2 C3 C4 120.3(5) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O3 C17 C18 109.5(5) . . ?
O3 C17 H17A 109.8 . . ?
C18 C17 H17A 109.8 . . ?
O3 C17 H17B 109.8 . . ?
C18 C17 H17B 109.8 . . ?
H17A C17 H17B 108.2 . . ?
C5 C4 C3 120.1(5) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O14 N4 O13 123.0(5) . . ?
O14 N4 O12 118.3(6) . . ?
O13 N4 O12 118.7(5) . . ?

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
C10 H10 O9 0.93 2.59 3.284(5) 131.9 2_545
C7 H7 O13 0.93 2.42 3.344(6) 172.3 4_576
C8 H8B O11 0.97 2.42 3.119(5) 128.8 4_576
C17 H17B O13 0.97 2.46 3.269(7) 141.0 .

_refine_diff_density_max         0.617
_refine_diff_density_min         -0.628
_refine_diff_density_rms         0.104

####################################################################### 
# 
# 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_Compound2
_database_code_depnum_ccdc_archive 'CCDC 1457094'
_audit_update_record             
;
2016-03-02 deposited with the CCDC.
2016-03-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H24 Co Dy N4 O14'
_chemical_formula_weight         789.88

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   10.7189(9)
_cell_length_b                   15.8478(14)
_cell_length_c                   16.4828(15)
_cell_angle_alpha                90
_cell_angle_beta                 98.315(3)
_cell_angle_gamma                90
_cell_volume                     2770.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9390
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      30.49

_exptl_crystal_description       Rhombic
_exptl_crystal_colour            Brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_F_000             1556
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    3.351
_shelx_estimated_absorpt_T_min   0.526
_shelx_estimated_absorpt_T_max   0.730
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.534
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            77261
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.437
_diffrn_reflns_theta_max         30.607
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             8505
_reflns_number_gt                7180
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0180P)²+2.6551P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8505
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0529
_refine_ls_wR_factor_gt          0.0488
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.077
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.21083(2) 0.77647(2) 0.04573(2) 0.02904(3) Uani 1 1 d . . . . .
Co1 Co 0.07017(3) 0.84788(2) 0.19109(2) 0.03100(6) Uani 1 1 d . . . . .
O6 O 0.30446(16) 0.73357(11) 0.17952(10) 0.0419(4) Uani 1 1 d . . . . .
O5 O 0.18853(17) 0.79187(11) 0.27027(10) 0.0412(4) Uani 1 1 d . . . . .
N1 N 0.0793(2) 0.94480(14) 0.25929(12) 0.0427(5) Uani 1 1 d . . . . .
O2 O 0.05405(14) 0.74771(10) 0.12561(9) 0.0315(3) Uani 1 1 d . . . . .
O4 O 0.02765(16) 0.67255(11) -0.01619(11) 0.0455(4) Uani 1 1 d . . . . .
O1 O 0.20523(14) 0.88736(9) 0.13693(9) 0.0305(3) Uani 1 1 d . . . . .
O3 O 0.42201(16) 0.86633(12) 0.08793(12) 0.0464(4) Uani 1 1 d . . . . .
O7 O -0.04980(14) 0.90368(10) 0.11298(9) 0.0333(3) Uani 1 1 d . . . . .
O8 O 0.02972(14) 0.85974(10) 0.00080(9) 0.0327(3) Uani 1 1 d . . . . .
O13 O 0.26951(18) 0.87984(12) -0.05432(11) 0.0475(4) Uani 1 1 d . . . . .
O12 O 0.18154(19) 0.76817(12) -0.10849(11) 0.0487(4) Uani 1 1 d . . . . .
O10 O 0.39427(18) 0.70005(12) 0.01111(13) 0.0510(5) Uani 1 1 d . . . . .
N2 N -0.0649(2) 0.81515(15) 0.24597(13) 0.0458(5) Uani 1 1 d . . . . .
C17 C -0.0581(2) 0.71238(13) 0.10048(14) 0.0336(4) Uani 1 1 d . . . . .
C1 C 0.3010(2) 0.93160(13) 0.17633(13) 0.0339(5) Uani 1 1 d . . . . .
N4 N 0.2187(2) 0.84258(15) -0.11823(13) 0.0454(5) Uani 1 1 d . . . . .
O14 O 0.2064(3) 0.87610(16) -0.18552(13) 0.0766(7) Uani 1 1 d . . . . .
O9 O 0.25364(17) 0.62061(12) 0.05052(12) 0.0489(4) Uani 1 1 d . . . . .
C19 C 0.2792(3) 0.74636(16) 0.24974(15) 0.0419(6) Uani 1 1 d . . . . .
C9 C -0.0342(3) 0.9543(2) 0.29850(19) 0.0626(8) Uani 1 1 d . . . . .
H9A H -0.1019 0.9797 0.2610 0.075 Uiso 1 1 calc R U . . .
H9B H -0.0172 0.9893 0.3471 0.075 Uiso 1 1 calc R U . . .
C10 C -0.0689(4) 0.8656(2) 0.32089(18) 0.0671(9) Uani 1 1 d . . . . .
H10A H -0.0090 0.8441 0.3659 0.081 Uiso 1 1 calc R U . . .
H10B H -0.1526 0.8643 0.3367 0.081 Uiso 1 1 calc R U . . .
C11 C -0.1533(3) 0.76398(18) 0.21934(17) 0.0493(6) Uani 1 1 d . . . . .
H11 H -0.2188 0.7576 0.2502 0.059 Uiso 1 1 calc R U . . .
C12 C -0.1594(2) 0.71556(16) 0.14539(16) 0.0422(5) Uani 1 1 d . . . . .
C16 C -0.0733(2) 0.66751(15) 0.02621(16) 0.0405(5) Uani 1 1 d . . . . .
C18 C 0.0308(3) 0.61237(19) -0.08130(19) 0.0604(8) Uani 1 1 d . . . . .
H18A H 0.1049 0.6216 -0.1066 0.091 Uiso 1 1 calc R U . . .
H18B H 0.0325 0.5562 -0.0593 0.091 Uiso 1 1 calc R U . . .
H18C H -0.0428 0.6192 -0.1214 0.091 Uiso 1 1 calc R U . . .
C15 C -0.1832(3) 0.6232(2) 0.0008(2) 0.0607(8) Uani 1 1 d . . . . .
H15 H -0.1912 0.5921 -0.0475 0.073 Uiso 1 1 calc R U . . .
C14 C -0.2813(3) 0.6249(2) 0.0470(2) 0.0704(10) Uani 1 1 d . . . . .
H14 H -0.3548 0.5947 0.0297 0.084 Uiso 1 1 calc R U . . .
C13 C -0.2706(3) 0.6704(2) 0.1174(2) 0.0600(8) Uani 1 1 d . . . . .
H13 H -0.3375 0.6718 0.1475 0.072 Uiso 1 1 calc R U . . .
C8 C 0.1734(3) 0.99410(16) 0.27539(15) 0.0472(6) Uani 1 1 d . . . . .
H8 H 0.1669 1.0378 0.3122 0.057 Uiso 1 1 calc R U . . .
C6 C 0.2890(3) 0.98745(15) 0.24109(15) 0.0416(5) Uani 1 1 d . . . . .
C2 C 0.4183(2) 0.92498(15) 0.14868(16) 0.0411(5) Uani 1 1 d . . . . .
C3 C 0.5185(3) 0.9754(2) 0.1820(2) 0.0607(8) Uani 1 1 d . . . . .
H3 H 0.5955 0.9715 0.1626 0.073 Uiso 1 1 calc R U . . .
C4 C 0.5036(3) 1.0318(2) 0.2447(2) 0.0701(10) Uani 1 1 d . . . . .
H4 H 0.5708 1.0658 0.2667 0.084 Uiso 1 1 calc R U . . .
C5 C 0.3923(3) 1.03770(18) 0.27373(19) 0.0589(8) Uani 1 1 d . . . . .
H5 H 0.3839 1.0754 0.3158 0.071 Uiso 1 1 calc R U . . .
C21 C -0.04998(19) 0.89738(12) 0.03550(12) 0.0277(4) Uani 1 1 d . . . . .
C22 C -0.1597(2) 0.93915(16) -0.01590(15) 0.0417(5) Uani 1 1 d . . . . .
H22A H -0.2126 0.9653 0.0192 0.063 Uiso 1 1 calc R U . . .
H22B H -0.1294 0.9812 -0.0501 0.063 Uiso 1 1 calc R U . . .
H22C H -0.2075 0.8976 -0.0496 0.063 Uiso 1 1 calc R U . . .
C20 C 0.3613(4) 0.7047(2) 0.31987(19) 0.0684(10) Uani 1 1 d . . . . .
H20A H 0.3322 0.7194 0.3704 0.103 Uiso 1 1 calc R U . . .
H20B H 0.3574 0.6445 0.3128 0.103 Uiso 1 1 calc R U . . .
H20C H 0.4468 0.7233 0.3212 0.103 Uiso 1 1 calc R U . . .
N3 N 0.3590(2) 0.62666(14) 0.02739(13) 0.0417(5) Uani 1 1 d . . . . .
C7 C 0.5312(3) 0.8666(2) 0.0463(2) 0.0650(9) Uani 1 1 d . . . . .
H7A H 0.5229 0.8230 0.0054 0.097 Uiso 1 1 calc R U . . .
H7B H 0.5381 0.9204 0.0205 0.097 Uiso 1 1 calc R U . . .
H7C H 0.6054 0.8565 0.0851 0.097 Uiso 1 1 calc R U . . .
O11 O 0.4231(2) 0.56509(14) 0.02005(18) 0.0786(8) 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
Dy1 O1 2.3190(14) . ?
Dy1 O2 2.3250(15) . ?
Dy1 O8 2.3754(15) . ?
Dy1 O6 2.3859(16) . ?
Dy1 O10 2.4461(18) . ?
Dy1 O13 2.4695(19) . ?
Dy1 O9 2.5115(19) . ?
Dy1 O12 2.5193(18) . ?
Dy1 O4 2.6514(17) . ?
Dy1 O3 2.6796(17) . ?
Dy1 N3 2.897(2) . ?
Dy1 N4 2.911(2) . ?
Co1 N2 1.888(2) . ?
Co1 N1 1.898(2) . ?
Co1 O7 1.9011(15) . ?
Co1 O5 1.9032(17) . ?
Co1 O1 1.9126(15) . ?
Co1 O2 1.9133(16) . ?
O6 C19 1.243(3) . ?
O5 C19 1.294(3) . ?
N1 C8 1.273(4) . ?
N1 C9 1.465(4) . ?
O2 C17 1.337(3) . ?
O4 C16 1.373(3) . ?
O4 C18 1.440(3) . ?
O1 C1 1.332(3) . ?
O3 C2 1.371(3) . ?
O3 C7 1.441(3) . ?
O7 C21 1.281(2) . ?
O8 C21 1.247(2) . ?
O13 N4 1.261(3) . ?
O12 N4 1.262(3) . ?
O10 N3 1.264(3) . ?
N2 C11 1.276(4) . ?
N2 C10 1.477(4) . ?
C17 C12 1.401(3) . ?
C17 C16 1.405(3) . ?
C1 C2 1.403(3) . ?
C1 C6 1.407(3) . ?
N4 O14 1.220(3) . ?
O9 N3 1.247(3) . ?
C19 C20 1.501(3) . ?
C9 C10 1.514(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.434(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.409(4) . ?
C16 C15 1.383(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C15 C14 1.384(5) . ?
C15 H15 0.9300 . ?
C14 C13 1.357(5) . ?
C14 H14 0.9300 . ?
C13 H13 0.9300 . ?
C8 C6 1.438(4) . ?
C8 H8 0.9300 . ?
C6 C5 1.406(4) . ?
C2 C3 1.386(4) . ?
C3 C4 1.393(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.351(5) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C21 C22 1.501(3) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
N3 O11 1.210(3) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?

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 Dy1 O2 72.12(5) . . ?
O1 Dy1 O8 71.61(5) . . ?
O2 Dy1 O8 70.15(5) . . ?
O1 Dy1 O6 70.34(6) . . ?
O2 Dy1 O6 70.28(6) . . ?
O8 Dy1 O6 131.45(6) . . ?
O1 Dy1 O10 128.57(6) . . ?
O2 Dy1 O10 134.93(6) . . ?
O8 Dy1 O10 148.28(6) . . ?
O6 Dy1 O10 80.19(7) . . ?
O1 Dy1 O13 87.89(6) . . ?
O2 Dy1 O13 141.53(6) . . ?
O8 Dy1 O13 72.48(6) . . ?
O6 Dy1 O13 133.83(6) . . ?
O10 Dy1 O13 83.21(6) . . ?
O1 Dy1 O9 138.30(6) . . ?
O2 Dy1 O9 86.16(6) . . ?
O8 Dy1 O9 133.91(6) . . ?
O6 Dy1 O9 68.91(6) . . ?
O10 Dy1 O9 51.02(6) . . ?
O13 Dy1 O9 127.62(6) . . ?
O1 Dy1 O12 133.04(6) . . ?
O2 Dy1 O12 124.50(6) . . ?
O8 Dy1 O12 74.78(6) . . ?
O6 Dy1 O12 153.14(6) . . ?
O10 Dy1 O12 74.09(7) . . ?
O13 Dy1 O12 50.76(6) . . ?
O9 Dy1 O12 88.62(6) . . ?
O1 Dy1 O4 129.28(5) . . ?
O2 Dy1 O4 62.65(5) . . ?
O8 Dy1 O4 72.47(6) . . ?
O6 Dy1 O4 111.59(6) . . ?
O10 Dy1 O4 100.26(6) . . ?
O13 Dy1 O4 113.64(6) . . ?
O9 Dy1 O4 61.51(6) . . ?
O12 Dy1 O4 66.54(6) . . ?
O1 Dy1 O3 61.90(5) . . ?
O2 Dy1 O3 127.58(5) . . ?
O8 Dy1 O3 114.04(6) . . ?
O6 Dy1 O3 71.63(6) . . ?
O10 Dy1 O3 69.29(6) . . ?
O13 Dy1 O3 62.20(6) . . ?
O9 Dy1 O3 111.77(6) . . ?
O12 Dy1 O3 105.49(6) . . ?
O4 Dy1 O3 168.75(5) . . ?
O1 Dy1 N3 139.00(6) . . ?
O2 Dy1 N3 110.53(6) . . ?
O8 Dy1 N3 149.16(6) . . ?
O6 Dy1 N3 72.49(6) . . ?
O10 Dy1 N3 25.62(6) . . ?
O13 Dy1 N3 106.11(6) . . ?
O9 Dy1 N3 25.41(6) . . ?
O12 Dy1 N3 80.92(6) . . ?
O4 Dy1 N3 80.65(6) . . ?
O3 Dy1 N3 90.41(6) . . ?
O1 Dy1 N4 109.63(6) . . ?
O2 Dy1 N4 135.78(6) . . ?
O8 Dy1 N4 69.06(5) . . ?
O6 Dy1 N4 153.62(6) . . ?
O10 Dy1 N4 80.19(6) . . ?
O13 Dy1 N4 25.44(6) . . ?
O9 Dy1 N4 110.70(6) . . ?
O12 Dy1 N4 25.60(6) . . ?
O4 Dy1 N4 89.17(6) . . ?
O3 Dy1 N4 85.01(6) . . ?
N3 Dy1 N4 96.21(6) . . ?
N2 Co1 N1 85.18(10) . . ?
N2 Co1 O7 87.80(8) . . ?
N1 Co1 O7 89.80(8) . . ?
N2 Co1 O5 91.41(9) . . ?
N1 Co1 O5 89.95(8) . . ?
O7 Co1 O5 179.19(7) . . ?
N2 Co1 O1 176.84(9) . . ?
N1 Co1 O1 91.95(8) . . ?
O7 Co1 O1 90.88(6) . . ?
O5 Co1 O1 89.90(7) . . ?
N2 Co1 O2 91.68(9) . . ?
N1 Co1 O2 176.84(8) . . ?
O7 Co1 O2 90.39(7) . . ?
O5 Co1 O2 89.81(7) . . ?
O1 Co1 O2 91.20(6) . . ?
N2 Co1 Dy1 137.32(7) . . ?
N1 Co1 Dy1 137.46(7) . . ?
O7 Co1 Dy1 90.19(5) . . ?
O5 Co1 Dy1 90.52(6) . . ?
O1 Co1 Dy1 45.51(4) . . ?
O2 Co1 Dy1 45.70(5) . . ?
C19 O6 Dy1 134.05(16) . . ?
C19 O5 Co1 122.14(15) . . ?
C8 N1 C9 121.9(2) . . ?
C8 N1 Co1 126.26(19) . . ?
C9 N1 Co1 111.67(18) . . ?
C17 O2 Co1 121.75(14) . . ?
C17 O2 Dy1 126.73(14) . . ?
Co1 O2 Dy1 98.22(6) . . ?
C16 O4 C18 116.5(2) . . ?
C16 O4 Dy1 115.76(14) . . ?
C18 O4 Dy1 127.04(17) . . ?
C1 O1 Co1 121.77(14) . . ?
C1 O1 Dy1 128.67(14) . . ?
Co1 O1 Dy1 98.45(6) . . ?
C2 O3 C7 117.2(2) . . ?
C2 O3 Dy1 115.95(14) . . ?
C7 O3 Dy1 126.30(18) . . ?
C21 O7 Co1 122.84(13) . . ?
C21 O8 Dy1 134.93(13) . . ?
N4 O13 Dy1 97.25(15) . . ?
N4 O12 Dy1 94.81(14) . . ?
N3 O10 Dy1 97.54(14) . . ?
C11 N2 C10 121.5(2) . . ?
C11 N2 Co1 126.36(19) . . ?
C10 N2 Co1 111.65(19) . . ?
O2 C17 C12 123.5(2) . . ?
O2 C17 C16 117.9(2) . . ?
C12 C17 C16 118.5(2) . . ?
O1 C1 C2 117.8(2) . . ?
O1 C1 C6 123.6(2) . . ?
C2 C1 C6 118.6(2) . . ?
O14 N4 O13 122.2(3) . . ?
O14 N4 O12 121.9(2) . . ?
O13 N4 O12 115.9(2) . . ?
O14 N4 Dy1 170.82(19) . . ?
O13 N4 Dy1 57.30(12) . . ?
O12 N4 Dy1 59.58(12) . . ?
N3 O9 Dy1 94.83(14) . . ?
O6 C19 O5 127.4(2) . . ?
O6 C19 C20 117.6(3) . . ?
O5 C19 C20 115.0(3) . . ?
N1 C9 C10 105.2(3) . . ?
N1 C9 H9A 110.7 . . ?
C10 C9 H9A 110.7 . . ?
N1 C9 H9B 110.7 . . ?
C10 C9 H9B 110.7 . . ?
H9A C9 H9B 108.8 . . ?
N2 C10 C9 105.1(2) . . ?
N2 C10 H10A 110.7 . . ?
C9 C10 H10A 110.7 . . ?
N2 C10 H10B 110.7 . . ?
C9 C10 H10B 110.7 . . ?
H10A C10 H10B 108.8 . . ?
N2 C11 C12 125.0(2) . . ?
N2 C11 H11 117.5 . . ?
C12 C11 H11 117.5 . . ?
C17 C12 C13 119.4(3) . . ?
C17 C12 C11 121.7(2) . . ?
C13 C12 C11 118.9(3) . . ?
O4 C16 C15 125.1(3) . . ?
O4 C16 C17 114.4(2) . . ?
C15 C16 C17 120.5(3) . . ?
O4 C18 H18A 109.5 . . ?
O4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C15 C16 120.4(3) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C13 C14 C15 120.2(3) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C14 C13 C12 120.9(3) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
N1 C8 C6 125.1(2) . . ?
N1 C8 H8 117.5 . . ?
C6 C8 H8 117.5 . . ?
C5 C6 C1 119.6(3) . . ?
C5 C6 C8 118.9(2) . . ?
C1 C6 C8 121.5(2) . . ?
O3 C2 C3 125.3(3) . . ?
O3 C2 C1 114.2(2) . . ?
C3 C2 C1 120.5(3) . . ?
C2 C3 C4 119.9(3) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 120.6(3) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.8(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
O8 C21 O7 126.33(19) . . ?
O8 C21 C22 119.04(19) . . ?
O7 C21 C22 114.62(18) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O11 N3 O9 121.4(2) . . ?
O11 N3 O10 122.0(2) . . ?
O9 N3 O10 116.58(19) . . ?
O11 N3 Dy1 178.7(2) . . ?
O9 N3 Dy1 59.76(12) . . ?
O10 N3 Dy1 56.84(11) . . ?
O3 C7 H7A 109.5 . . ?
O3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?

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
N2 Co1 N1 C8 160.7(2) . . . . ?
O7 Co1 N1 C8 -111.5(2) . . . . ?
O5 Co1 N1 C8 69.2(2) . . . . ?
O1 Co1 N1 C8 -20.7(2) . . . . ?
Dy1 Co1 N1 C8 -21.5(3) . . . . ?
N2 Co1 N1 C9 -14.8(2) . . . . ?
O7 Co1 N1 C9 73.0(2) . . . . ?
O5 Co1 N1 C9 -106.2(2) . . . . ?
O1 Co1 N1 C9 163.92(19) . . . . ?
Dy1 Co1 N1 C9 163.10(16) . . . . ?
N1 Co1 N2 C11 157.3(3) . . . . ?
O7 Co1 N2 C11 67.3(2) . . . . ?
O5 Co1 N2 C11 -112.9(2) . . . . ?
O2 Co1 N2 C11 -23.0(3) . . . . ?
Dy1 Co1 N2 C11 -20.6(3) . . . . ?
N1 Co1 N2 C10 -14.4(2) . . . . ?
O7 Co1 N2 C10 -104.4(2) . . . . ?
O5 Co1 N2 C10 75.4(2) . . . . ?
O2 Co1 N2 C10 165.3(2) . . . . ?
Dy1 Co1 N2 C10 167.75(17) . . . . ?
Co1 O2 C17 C12 -31.4(3) . . . . ?
Dy1 O2 C17 C12 -163.60(17) . . . . ?
Co1 O2 C17 C16 150.64(16) . . . . ?
Dy1 O2 C17 C16 18.4(3) . . . . ?
Co1 O1 C1 C2 150.84(17) . . . . ?
Dy1 O1 C1 C2 15.0(3) . . . . ?
Co1 O1 C1 C6 -32.5(3) . . . . ?
Dy1 O1 C1 C6 -168.26(16) . . . . ?
Dy1 O13 N4 O14 169.1(2) . . . . ?
Dy1 O13 N4 O12 -11.1(2) . . . . ?
Dy1 O12 N4 O14 -169.4(2) . . . . ?
Dy1 O12 N4 O13 10.8(2) . . . . ?
Dy1 O6 C19 O5 -1.6(4) . . . . ?
Dy1 O6 C19 C20 178.0(2) . . . . ?
Co1 O5 C19 O6 1.4(4) . . . . ?
Co1 O5 C19 C20 -178.20(19) . . . . ?
C8 N1 C9 C10 -136.7(3) . . . . ?
Co1 N1 C9 C10 39.0(3) . . . . ?
C11 N2 C10 C9 -133.5(3) . . . . ?
Co1 N2 C10 C9 38.6(3) . . . . ?
N1 C9 C10 N2 -48.4(3) . . . . ?
C10 N2 C11 C12 177.1(3) . . . . ?
Co1 N2 C11 C12 6.2(4) . . . . ?
O2 C17 C12 C13 -174.6(2) . . . . ?
C16 C17 C12 C13 3.3(4) . . . . ?
O2 C17 C12 C11 5.6(4) . . . . ?
C16 C17 C12 C11 -176.5(2) . . . . ?
N2 C11 C12 C17 8.5(4) . . . . ?
N2 C11 C12 C13 -171.4(3) . . . . ?
C18 O4 C16 C15 -14.9(4) . . . . ?
Dy1 O4 C16 C15 174.0(2) . . . . ?
C18 O4 C16 C17 165.3(2) . . . . ?
Dy1 O4 C16 C17 -5.8(3) . . . . ?
O2 C17 C16 O4 -6.1(3) . . . . ?
C12 C17 C16 O4 175.8(2) . . . . ?
O2 C17 C16 C15 174.1(2) . . . . ?
C12 C17 C16 C15 -4.0(4) . . . . ?
O4 C16 C15 C14 -177.6(3) . . . . ?
C17 C16 C15 C14 2.2(5) . . . . ?
C16 C15 C14 C13 0.3(5) . . . . ?
C15 C14 C13 C12 -0.9(5) . . . . ?
C17 C12 C13 C14 -0.9(4) . . . . ?
C11 C12 C13 C14 178.9(3) . . . . ?
C9 N1 C8 C6 178.3(3) . . . . ?
Co1 N1 C8 C6 3.3(4) . . . . ?
O1 C1 C6 C5 -173.8(2) . . . . ?
C2 C1 C6 C5 2.9(3) . . . . ?
O1 C1 C6 C8 6.7(4) . . . . ?
C2 C1 C6 C8 -176.6(2) . . . . ?
N1 C8 C6 C5 -170.1(3) . . . . ?
N1 C8 C6 C1 9.4(4) . . . . ?
C7 O3 C2 C3 -10.7(4) . . . . ?
Dy1 O3 C2 C3 177.1(2) . . . . ?
C7 O3 C2 C1 169.0(2) . . . . ?
Dy1 O3 C2 C1 -3.2(3) . . . . ?
O1 C1 C2 O3 -5.9(3) . . . . ?
C6 C1 C2 O3 177.3(2) . . . . ?
O1 C1 C2 C3 173.9(2) . . . . ?
C6 C1 C2 C3 -3.0(4) . . . . ?
O3 C2 C3 C4 -178.9(3) . . . . ?
C1 C2 C3 C4 1.4(4) . . . . ?
C2 C3 C4 C5 0.4(5) . . . . ?
C3 C4 C5 C6 -0.4(5) . . . . ?
C1 C6 C5 C4 -1.2(4) . . . . ?
C8 C6 C5 C4 178.3(3) . . . . ?
Dy1 O8 C21 O7 3.6(3) . . . . ?
Dy1 O8 C21 C22 -175.29(15) . . . . ?
Co1 O7 C21 O8 -4.7(3) . . . . ?
Co1 O7 C21 C22 174.22(15) . . . . ?
Dy1 O9 N3 O11 179.3(2) . . . . ?
Dy1 O9 N3 O10 -1.6(2) . . . . ?
Dy1 O10 N3 O11 -179.2(2) . . . . ?
Dy1 O10 N3 O9 1.7(2) . . . . ?

_refine_diff_density_max         0.730
_refine_diff_density_min         -0.970
_refine_diff_density_rms         0.079

