# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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 1908066'
loop_
_audit_author_name
_audit_author_address
'Qipeng Li'
;Zhaotong University
China
;
_audit_update_record             
;
2019-07-22 deposited with the CCDC.	2019-07-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C64 H82 Co4 Dy2 N18 O18, 2(C2H3O2), 20[H2O]'
_chemical_formula_sum            'C68 H88 Co4 Dy2 N18 O22'
_chemical_formula_weight         2070.28

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           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.420(7)
_cell_length_b                   15.214(3)
_cell_length_c                   24.240(6)
_cell_angle_alpha                90
_cell_angle_beta                 124.305(3)
_cell_angle_gamma                90
_cell_volume                     9876(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    10991
_cell_measurement_theta_min      2.0678
_cell_measurement_theta_max      27.4895

_exptl_crystal_description       Prism
_exptl_crystal_colour            'Red Brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_F_000             4152
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    2.217
_shelx_estimated_absorpt_T_min   0.665
_shelx_estimated_absorpt_T_max   0.665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8709
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37154
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_av_R_equivalents  0.0293
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.533
_diffrn_reflns_theta_max         27.488
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measured_fraction_theta_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_point_group_measured_fraction_full 0.973
_reflns_number_total             10896
_reflns_number_gt                9053
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_structure_solution    'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1015P)²+37.8731P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10896
_refine_ls_number_parameters     514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0508
_refine_ls_wR_factor_ref         0.1689
_refine_ls_wR_factor_gt          0.1521
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_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_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
Co1 Co 0.31679(3) 0.65776(5) 0.87592(3) 0.04451(17) Uani 1 1 d . . . . .
Co2 Co 0.46397(2) 0.37534(4) 1.04472(3) 0.03886(16) Uani 1 1 d . . . . .
Dy1 Dy 0.43589(2) 0.56197(2) 0.95664(2) 0.03856(10) Uani 1 1 d . . . . .
C1 C 0.2447(2) 0.7799(5) 0.7865(3) 0.0631(15) Uani 1 1 d . . . . .
H1A H 0.238126 0.773735 0.741525 0.076 Uiso 1 1 calc R U . . .
H1B H 0.231916 0.837912 0.788887 0.076 Uiso 1 1 calc R U . . .
C2 C 0.2185(2) 0.7089(4) 0.7975(3) 0.0549(13) Uani 1 1 d . . . . .
C3 C 0.1668(2) 0.7102(5) 0.7672(3) 0.0715(18) Uani 1 1 d . . . . .
H3A H 0.147314 0.758707 0.740453 0.086 Uiso 1 1 calc R U . . .
C4 C 0.1449(3) 0.6402(7) 0.7767(4) 0.081(2) Uani 1 1 d . . . . .
H4A H 0.109819 0.639857 0.756355 0.098 Uiso 1 1 calc R U . . .
C5 C 0.1733(3) 0.5712(5) 0.8156(4) 0.0700(18) Uani 1 1 d . . . . .
H5A H 0.158061 0.521857 0.821191 0.084 Uiso 1 1 calc R U . . .
C6 C 0.2241(3) 0.5733(4) 0.8464(4) 0.0617(15) Uani 1 1 d . . . . .
H6A H 0.243906 0.526401 0.875099 0.074 Uiso 1 1 calc R U . . .
C7 C 0.3164(3) 0.8387(4) 0.8949(3) 0.0633(15) Uani 1 1 d . . . . .
H7A H 0.293725 0.890141 0.878030 0.076 Uiso 1 1 calc R U . . .
H7B H 0.350624 0.859707 0.912812 0.076 Uiso 1 1 calc R U . . .
C8 C 0.3151(2) 0.7938(4) 0.9496(3) 0.0561(13) Uani 1 1 d . . . . .
C9 C 0.3115(3) 0.8391(5) 0.9956(4) 0.0746(19) Uani 1 1 d . . . . .
H9A H 0.307476 0.901104 0.993004 0.089 Uiso 1 1 calc R U . . .
C10 C 0.3139(3) 0.7916(6) 1.0458(4) 0.088(3) Uani 1 1 d . . . . .
H10A H 0.312165 0.821231 1.078955 0.105 Uiso 1 1 calc R U . . .
C11 C 0.3188(3) 0.7042(6) 1.0481(3) 0.076(2) Uani 1 1 d . . . . .
H11A H 0.319789 0.671553 1.082286 0.091 Uiso 1 1 calc R U . . .
C12 C 0.3222(2) 0.6614(5) 1.0004(3) 0.0609(15) Uani 1 1 d . . . . .
H12A H 0.325691 0.599285 1.001981 0.073 Uiso 1 1 calc R U . . .
C13 C 0.3320(2) 0.7756(4) 0.8112(3) 0.0533(13) Uani 1 1 d . . . . .
C14 C 0.3132(3) 0.6954(4) 0.7631(3) 0.0610(15) Uani 1 1 d . . . . .
H14A H 0.280703 0.709507 0.721230 0.073 Uiso 1 1 calc R U . . .
H14B H 0.337382 0.681363 0.751734 0.073 Uiso 1 1 calc R U . . .
C15 C 0.3853(2) 0.7550(4) 0.8712(3) 0.0566(14) Uani 1 1 d . . . . .
H15A H 0.406222 0.737118 0.855151 0.068 Uiso 1 1 calc R U . . .
H15B H 0.400344 0.808213 0.899143 0.068 Uiso 1 1 calc R U . . .
C16 C 0.3284(3) 0.8591(5) 0.7742(4) 0.0699(18) Uani 1 1 d . . . . .
H16A H 0.347682 0.851043 0.754276 0.084 Uiso 1 1 calc R U . . .
H16B H 0.293072 0.868905 0.737325 0.084 Uiso 1 1 calc R U . . .
C17 C 0.4504(3) 0.1980(4) 1.0636(4) 0.0698(18) Uani 1 1 d . . . . .
H17A H 0.463865 0.150579 1.050086 0.084 Uiso 1 1 calc R U . . .
H17B H 0.424593 0.172147 1.068447 0.084 Uiso 1 1 calc R U . . .
C18 C 0.4923(3) 0.2356(4) 1.1305(3) 0.0578(14) Uani 1 1 d . . . . .
C19 C 0.5178(3) 0.1835(5) 1.1873(4) 0.0716(19) Uani 1 1 d . . . . .
H19A H 0.509867 0.123003 1.185424 0.086 Uiso 1 1 calc R U . . .
C20 C 0.5550(3) 0.2222(6) 1.2470(4) 0.084(2) Uani 1 1 d . . . . .
H20A H 0.574133 0.187945 1.286454 0.101 Uiso 1 1 calc R U . . .
C21 C 0.5639(3) 0.3102(5) 1.2480(3) 0.0689(17) Uani 1 1 d . . . . .
H21A H 0.588748 0.337793 1.288743 0.083 Uiso 1 1 calc R U . . .
C22 C 0.5369(2) 0.3589(4) 1.1905(3) 0.0548(13) Uani 1 1 d . . . . .
H22A H 0.542967 0.420273 1.192120 0.066 Uiso 1 1 calc R U . . .
C23 C 0.3741(2) 0.2851(4) 0.9875(3) 0.0593(15) Uani 1 1 d . . . . .
H23A H 0.354563 0.304374 0.940277 0.071 Uiso 1 1 calc R U . . .
H23B H 0.358677 0.230876 0.990657 0.071 Uiso 1 1 calc R U . . .
C24 C 0.3738(2) 0.3555(4) 1.0304(3) 0.0565(14) Uani 1 1 d . . . . .
C25 C 0.3358(3) 0.3667(6) 1.0390(4) 0.076(2) Uani 1 1 d . . . . .
H25A H 0.307839 0.328345 1.017622 0.091 Uiso 1 1 calc R U . . .
C26 C 0.3384(3) 0.4329(5) 1.0782(5) 0.078(2) Uani 1 1 d . . . . .
H26A H 0.311558 0.442977 1.082722 0.094 Uiso 1 1 calc R U . . .
C27 C 0.3798(3) 0.4848(5) 1.1111(4) 0.0644(16) Uani 1 1 d . . . . .
H27A H 0.382283 0.530754 1.139420 0.077 Uiso 1 1 calc R U . . .
C28 C 0.4176(2) 0.4702(4) 1.1031(3) 0.0507(12) Uani 1 1 d . . . . .
H28A H 0.447015 0.505015 1.127544 0.061 Uiso 1 1 calc R U . . .
C29 C 0.4342(2) 0.2532(4) 0.9550(3) 0.0475(12) Uani 1 1 d . . . . .
C30 C 0.4905(2) 0.2520(4) 0.9888(3) 0.0577(14) Uani 1 1 d . . . . .
H30A H 0.505437 0.200016 1.018238 0.069 Uiso 1 1 calc R U . . .
H30B H 0.498486 0.249713 0.954962 0.069 Uiso 1 1 calc R U . . .
C31 C 0.4143(2) 0.3393(4) 0.9126(3) 0.0500(12) Uani 1 1 d . . . . .
H31A H 0.431732 0.349427 0.890341 0.060 Uiso 1 1 calc R U . . .
H31B H 0.378128 0.333549 0.877747 0.060 Uiso 1 1 calc R U . . .
C32 C 0.4088(3) 0.1710(4) 0.9132(4) 0.0661(17) Uani 1 1 d . . . . .
H32A H 0.417404 0.163435 0.880243 0.079 Uiso 1 1 calc R U . . .
H32B H 0.420643 0.118536 0.942463 0.079 Uiso 1 1 calc R U . . .
C33 C 0.4391(2) 0.3928(4) 0.7824(3) 0.0539(13) Uani 1 1 d . . . . .
C34 C 0.4392(3) 0.3234(6) 0.7391(4) 0.083(2) Uani 1 1 d . . . . .
H34A H 0.405076 0.314318 0.699951 0.124 Uiso 1 1 calc R U . . .
H34B H 0.460621 0.341750 0.724607 0.124 Uiso 1 1 calc R U . . .
H34C H 0.451934 0.268364 0.764373 0.124 Uiso 1 1 calc R U . . .
N1 N 0.24649(17) 0.6412(3) 0.8366(2) 0.0518(11) Uani 1 1 d . . . . .
N2 N 0.32080(16) 0.7069(3) 0.9523(2) 0.0518(11) Uani 1 1 d . . . . .
N3 N 0.30019(17) 0.7745(3) 0.8390(2) 0.0494(10) Uani 1 1 d . . . . .
N4 N 0.50220(17) 0.3216(3) 1.1321(2) 0.0487(10) Uani 1 1 d . . . . .
N5 N 0.41437(16) 0.4081(3) 1.0617(2) 0.0460(9) Uani 1 1 d . . . . .
N6 N 0.42730(18) 0.2670(3) 1.0109(2) 0.0505(10) Uani 1 1 d . . . . .
N7 N 0.34290(17) 0.5425(3) 0.9179(2) 0.0495(10) Uani 1 1 d . . . . .
N8 N 0.31980(19) 0.4782(4) 0.8812(3) 0.0616(13) Uani 1 1 d . . . . .
N9 N 0.3018(2) 0.4196(4) 0.8506(4) 0.092(2) Uani 1 1 d . . . . .
O1 O 0.30777(14) 0.6223(3) 0.79468(18) 0.0516(9) Uani 1 1 d . . . . .
O2 O 0.38399(13) 0.6862(2) 0.90977(19) 0.0472(8) Uani 1 1 d . . . . .
O3 O 0.3463(3) 0.9339(3) 0.8153(4) 0.0918(18) Uani 1 1 d . . . . .
H3B H 0.343883 0.977866 0.792693 0.138 Uiso 1 1 calc R U . . .
O4 O 0.50957(13) 0.3310(2) 1.02703(18) 0.0437(7) Uani 1 1 d . . . . .
O5 O 0.42268(13) 0.4112(2) 0.95485(17) 0.0418(7) Uani 1 1 d . . . . .
O6 O 0.3549(2) 0.1794(5) 0.8786(4) 0.116(2) Uani 1 1 d . . . . .
H6B H 0.340975 0.134034 0.855732 0.174 Uiso 1 1 calc R U . . .
O7 O 0.39191(15) 0.5376(3) 0.8426(2) 0.0559(9) Uani 1 1 d . . . . .
H7C H 0.385746 0.586682 0.822645 0.084 Uiso 1 1 d R U . . .
H7D H 0.409396 0.506113 0.834145 0.084 Uiso 1 1 d R U . . .
O8 O 0.43946(15) 0.6385(3) 1.0455(2) 0.0558(9) Uani 1 1 d . . . . .
H8A H 0.464596 0.621727 1.082273 0.084 Uiso 1 1 calc R U . . .
O9 O 0.49906(12) 0.4855(2) 1.05920(16) 0.0397(7) Uani 1 1 d . . . . .
O10 O 0.39832(19) 0.4281(4) 0.7632(3) 0.0785(15) Uani 1 1 d . . . . .
O11 O 0.48005(17) 0.4125(3) 0.8349(2) 0.0676(12) 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
Co1 O2 1.895(4) . ?
Co1 O1 1.899(4) . ?
Co1 N2 1.932(5) . ?
Co1 N3 1.924(5) . ?
Co1 N1 1.928(5) . ?
Co1 N7 1.964(5) . ?
Co2 O4 1.881(4) . ?
Co2 O5 1.884(4) . ?
Co2 N4 1.932(5) . ?
Co2 N5 1.936(5) . ?
Co2 O9 1.943(3) . ?
Co2 N6 1.924(5) . ?
Dy1 O4 2.268(3) 5_667 ?
Dy1 O7 2.318(4) . ?
Dy1 O5 2.329(3) . ?
Dy1 O2 2.353(3) . ?
Dy1 O8 2.393(4) . ?
Dy1 O9 2.447(3) . ?
Dy1 O9 2.456(3) 5_667 ?
Dy1 N7 2.621(5) . ?
C1 N3 1.511(7) . ?
C1 C2 1.487(9) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 N1 1.346(7) . ?
C2 C3 1.401(9) . ?
C3 C4 1.371(12) . ?
C3 H3A 0.9500 . ?
C4 C5 1.365(12) . ?
C4 H4A 0.9500 . ?
C5 C6 1.371(10) . ?
C5 H5A 0.9500 . ?
C6 N1 1.360(8) . ?
C6 H6A 0.9500 . ?
C7 N3 1.505(8) . ?
C7 C8 1.513(9) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 N2 1.332(8) . ?
C8 C9 1.370(9) . ?
C9 C10 1.378(11) . ?
C9 H9A 0.9500 . ?
C10 C11 1.337(12) . ?
C10 H10A 0.9500 . ?
C11 C12 1.386(9) . ?
C11 H11A 0.9500 . ?
C12 N2 1.334(8) . ?
C12 H12A 0.9500 . ?
C13 N3 1.519(8) . ?
C13 C15 1.539(8) . ?
C13 C14 1.555(9) . ?
C13 C16 1.519(8) . ?
C14 O1 1.417(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 O2 1.421(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 O3 1.404(10) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 N6 1.490(8) . ?
C17 C18 1.522(10) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.388(9) . ?
C18 N4 1.341(7) . ?
C19 C20 1.389(12) . ?
C19 H19A 0.9500 . ?
C20 C21 1.367(11) . ?
C20 H20A 0.9500 . ?
C21 C22 1.372(9) . ?
C21 H21A 0.9500 . ?
C22 N4 1.341(7) . ?
C22 H22A 0.9500 . ?
C23 C24 1.498(9) . ?
C23 N6 1.506(8) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 N5 1.350(7) . ?
C24 C25 1.370(9) . ?
C25 C26 1.353(11) . ?
C25 H25A 0.9500 . ?
C26 C27 1.362(11) . ?
C26 H26A 0.9500 . ?
C27 C28 1.364(8) . ?
C27 H27A 0.9500 . ?
C28 N5 1.340(7) . ?
C28 H28A 0.9500 . ?
C29 N6 1.506(7) . ?
C29 C32 1.527(7) . ?
C29 C30 1.524(8) . ?
C29 C31 1.561(8) . ?
C30 O4 1.428(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 O5 1.416(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 O6 1.455(9) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 O11 1.252(7) . ?
C33 O10 1.250(8) . ?
C33 C34 1.489(9) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
N7 N8 1.249(8) . ?
N8 N9 1.094(8) . ?
O3 H3B 0.8400 . ?
O6 H6B 0.8400 . ?
O7 H7C 0.8501 . ?
O7 H7D 0.8501 . ?
O8 H8A 0.8400 . ?

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 Co1 O1 88.94(17) . . ?
O2 Co1 N2 93.26(18) . . ?
O1 Co1 N2 172.62(19) . . ?
O2 Co1 N3 86.72(18) . . ?
O1 Co1 N3 86.63(19) . . ?
N2 Co1 N3 86.5(2) . . ?
O2 Co1 N1 173.68(19) . . ?
O1 Co1 N1 90.11(19) . . ?
N2 Co1 N1 86.9(2) . . ?
N3 Co1 N1 87.0(2) . . ?
O2 Co1 N7 85.70(18) . . ?
O1 Co1 N7 93.06(19) . . ?
N2 Co1 N7 94.1(2) . . ?
N3 Co1 N7 172.4(2) . . ?
N1 Co1 N7 100.6(2) . . ?
O4 Co2 O5 88.74(16) . . ?
O4 Co2 N4 89.83(18) . . ?
O5 Co2 N4 171.58(18) . . ?
O4 Co2 N5 173.79(17) . . ?
O5 Co2 N5 92.10(18) . . ?
N4 Co2 N5 88.4(2) . . ?
O4 Co2 O9 83.99(15) . . ?
O5 Co2 O9 85.47(15) . . ?
N4 Co2 O9 102.63(17) . . ?
N5 Co2 O9 102.21(17) . . ?
O4 Co2 N6 88.38(18) . . ?
O5 Co2 N6 83.66(18) . . ?
N4 Co2 N6 88.0(2) . . ?
N5 Co2 N6 85.6(2) . . ?
O9 Co2 N6 166.84(18) . . ?
O4 Co2 Dy1 97.17(11) . . ?
O5 Co2 Dy1 42.08(10) . . ?
N4 Co2 Dy1 146.33(14) . . ?
N5 Co2 Dy1 87.55(14) . . ?
O9 Co2 Dy1 46.08(10) . . ?
N6 Co2 Dy1 124.93(15) . . ?
O4 Co2 Dy1 38.87(10) . 5_667 ?
O5 Co2 Dy1 88.15(11) . 5_667 ?
N4 Co2 Dy1 95.93(14) . 5_667 ?
N5 Co2 Dy1 147.29(14) . 5_667 ?
O9 Co2 Dy1 45.18(10) . 5_667 ?
N6 Co2 Dy1 126.84(15) . 5_667 ?
Dy1 Co2 Dy1 71.023(16) . 5_667 ?
O4 Dy1 O7 102.59(15) 5_667 . ?
O4 Dy1 O5 145.81(13) 5_667 . ?
O7 Dy1 O5 80.62(14) . . ?
O4 Dy1 O2 77.45(13) 5_667 . ?
O7 Dy1 O2 76.17(14) . . ?
O5 Dy1 O2 135.06(13) . . ?
O4 Dy1 O8 81.71(14) 5_667 . ?
O7 Dy1 O8 146.80(14) . . ?
O5 Dy1 O8 114.29(14) . . ?
O2 Dy1 O8 72.69(14) . . ?
O4 Dy1 O9 92.31(12) 5_667 . ?
O7 Dy1 O9 137.35(13) . . ?
O5 Dy1 O9 65.83(11) . . ?
O2 Dy1 O9 146.47(12) . . ?
O8 Dy1 O9 74.28(12) . . ?
O4 Dy1 O9 65.45(12) 5_667 5_667 ?
O7 Dy1 O9 76.79(12) . 5_667 ?
O5 Dy1 O9 82.69(12) . 5_667 ?
O2 Dy1 O9 127.15(12) . 5_667 ?
O8 Dy1 O9 132.34(12) . 5_667 ?
O9 Dy1 O9 73.63(13) . 5_667 ?
O4 Dy1 N7 140.35(14) 5_667 . ?
O7 Dy1 N7 75.21(15) . . ?
O5 Dy1 N7 73.71(14) . . ?
O2 Dy1 N7 63.44(14) . . ?
O8 Dy1 N7 80.78(15) . . ?
O9 Dy1 N7 116.43(13) . . ?
O9 Dy1 N7 145.77(13) 5_667 . ?
O4 Dy1 Co2 126.24(9) 5_667 . ?
O7 Dy1 Co2 112.79(11) . . ?
O5 Dy1 Co2 32.82(9) . . ?
O2 Dy1 Co2 148.27(10) . . ?
O8 Dy1 Co2 88.92(10) . . ?
O9 Dy1 Co2 34.88(8) . . ?
O9 Dy1 Co2 84.36(8) 5_667 . ?
N7 Dy1 Co2 88.67(11) . . ?
O4 Dy1 Co2 31.36(9) 5_667 5_667 ?
O7 Dy1 Co2 88.97(11) . 5_667 ?
O5 Dy1 Co2 116.26(9) . 5_667 ?
O2 Dy1 Co2 101.35(10) . 5_667 ?
O8 Dy1 Co2 108.05(10) . 5_667 ?
O9 Dy1 Co2 83.47(8) . 5_667 ?
O9 Dy1 Co2 34.14(8) 5_667 5_667 ?
N7 Dy1 Co2 160.02(11) . 5_667 ?
Co2 Dy1 Co2 108.977(16) . 5_667 ?
O4 Dy1 Dy1 76.42(9) 5_667 5_667 ?
O7 Dy1 Dy1 108.40(10) . 5_667 ?
O5 Dy1 Dy1 70.43(9) . 5_667 ?
O2 Dy1 Dy1 153.84(9) . 5_667 ?
O8 Dy1 Dy1 104.62(10) . 5_667 ?
O9 Dy1 Dy1 36.89(8) . 5_667 ?
O9 Dy1 Dy1 36.74(8) 5_667 5_667 ?
N7 Dy1 Dy1 142.63(11) . 5_667 ?
Co2 Dy1 Dy1 55.041(14) . 5_667 ?
Co2 Dy1 Dy1 53.937(19) 5_667 5_667 ?
N3 C1 C2 109.7(5) . . ?
N3 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
N3 C1 H1B 109.7 . . ?
C2 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
N1 C2 C3 120.8(6) . . ?
N1 C2 C1 117.2(5) . . ?
C3 C2 C1 122.1(6) . . ?
C4 C3 C2 118.9(7) . . ?
C4 C3 H3A 120.6 . . ?
C2 C3 H3A 120.6 . . ?
C3 C4 C5 120.0(6) . . ?
C3 C4 H4A 120.0 . . ?
C5 C4 H4A 120.0 . . ?
C4 C5 C6 119.7(7) . . ?
C4 C5 H5A 120.2 . . ?
C6 C5 H5A 120.2 . . ?
N1 C6 C5 121.2(7) . . ?
N1 C6 H6A 119.4 . . ?
C5 C6 H6A 119.4 . . ?
N3 C7 C8 109.2(5) . . ?
N3 C7 H7A 109.8 . . ?
C8 C7 H7A 109.8 . . ?
N3 C7 H7B 109.8 . . ?
C8 C7 H7B 109.8 . . ?
H7A C7 H7B 108.3 . . ?
N2 C8 C9 122.2(6) . . ?
N2 C8 C7 114.8(5) . . ?
C9 C8 C7 122.9(6) . . ?
C10 C9 C8 117.8(7) . . ?
C10 C9 H9A 121.1 . . ?
C8 C9 H9A 121.1 . . ?
C9 C10 C11 120.3(7) . . ?
C9 C10 H10A 119.8 . . ?
C11 C10 H10A 119.8 . . ?
C12 C11 C10 119.7(7) . . ?
C12 C11 H11A 120.2 . . ?
C10 C11 H11A 120.2 . . ?
N2 C12 C11 120.4(7) . . ?
N2 C12 H12A 119.8 . . ?
C11 C12 H12A 119.8 . . ?
N3 C13 C15 105.1(5) . . ?
N3 C13 C14 104.2(5) . . ?
C15 C13 C14 107.8(5) . . ?
N3 C13 C16 115.2(5) . . ?
C15 C13 C16 113.6(5) . . ?
C14 C13 C16 110.3(5) . . ?
O1 C14 C13 109.1(5) . . ?
O1 C14 H14A 109.9 . . ?
C13 C14 H14A 109.9 . . ?
O1 C14 H14B 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
O2 C15 C13 109.8(4) . . ?
O2 C15 H15A 109.7 . . ?
C13 C15 H15A 109.7 . . ?
O2 C15 H15B 109.7 . . ?
C13 C15 H15B 109.7 . . ?
H15A C15 H15B 108.2 . . ?
O3 C16 C13 113.3(6) . . ?
O3 C16 H16A 108.9 . . ?
C13 C16 H16A 108.9 . . ?
O3 C16 H16B 108.9 . . ?
C13 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
N6 C17 C18 111.4(5) . . ?
N6 C17 H17A 109.4 . . ?
C18 C17 H17A 109.4 . . ?
N6 C17 H17B 109.4 . . ?
C18 C17 H17B 109.4 . . ?
H17A C17 H17B 108.0 . . ?
C19 C18 N4 121.9(7) . . ?
C19 C18 C17 121.1(6) . . ?
N4 C18 C17 116.9(5) . . ?
C18 C19 C20 118.3(7) . . ?
C18 C19 H19A 120.9 . . ?
C20 C19 H19A 120.9 . . ?
C21 C20 C19 119.0(6) . . ?
C21 C20 H20A 120.5 . . ?
C19 C20 H20A 120.5 . . ?
C20 C21 C22 120.2(7) . . ?
C20 C21 H21A 119.9 . . ?
C22 C21 H21A 119.9 . . ?
N4 C22 C21 121.3(6) . . ?
N4 C22 H22A 119.4 . . ?
C21 C22 H22A 119.4 . . ?
C24 C23 N6 108.9(5) . . ?
C24 C23 H23A 109.9 . . ?
N6 C23 H23A 109.9 . . ?
C24 C23 H23B 109.9 . . ?
N6 C23 H23B 109.9 . . ?
H23A C23 H23B 108.3 . . ?
N5 C24 C25 121.1(6) . . ?
N5 C24 C23 115.3(5) . . ?
C25 C24 C23 123.6(6) . . ?
C26 C25 C24 119.6(7) . . ?
C26 C25 H25A 120.2 . . ?
C24 C25 H25A 120.2 . . ?
C25 C26 C27 119.7(7) . . ?
C25 C26 H26A 120.2 . . ?
C27 C26 H26A 120.2 . . ?
C28 C27 C26 119.3(7) . . ?
C28 C27 H27A 120.3 . . ?
C26 C27 H27A 120.3 . . ?
N5 C28 C27 121.6(6) . . ?
N5 C28 H28A 119.2 . . ?
C27 C28 H28A 119.2 . . ?
N6 C29 C32 114.4(5) . . ?
N6 C29 C30 104.9(5) . . ?
C32 C29 C30 112.4(5) . . ?
N6 C29 C31 105.0(4) . . ?
C32 C29 C31 112.5(5) . . ?
C30 C29 C31 106.8(5) . . ?
O4 C30 C29 106.7(4) . . ?
O4 C30 H30A 110.4 . . ?
C29 C30 H30A 110.4 . . ?
O4 C30 H30B 110.4 . . ?
C29 C30 H30B 110.4 . . ?
H30A C30 H30B 108.6 . . ?
O5 C31 C29 109.5(4) . . ?
O5 C31 H31A 109.8 . . ?
C29 C31 H31A 109.8 . . ?
O5 C31 H31B 109.8 . . ?
C29 C31 H31B 109.8 . . ?
H31A C31 H31B 108.2 . . ?
O6 C32 C29 109.4(5) . . ?
O6 C32 H32A 109.8 . . ?
C29 C32 H32A 109.8 . . ?
O6 C32 H32B 109.8 . . ?
C29 C32 H32B 109.8 . . ?
H32A C32 H32B 108.2 . . ?
O11 C33 O10 124.6(6) . . ?
O11 C33 C34 117.7(6) . . ?
O10 C33 C34 117.6(6) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C2 N1 C6 119.4(5) . . ?
C2 N1 Co1 112.8(4) . . ?
C6 N1 Co1 127.8(4) . . ?
C12 N2 C8 119.5(6) . . ?
C12 N2 Co1 126.0(5) . . ?
C8 N2 Co1 113.9(4) . . ?
C1 N3 C7 111.7(5) . . ?
C1 N3 C13 114.2(5) . . ?
C7 N3 C13 114.4(5) . . ?
C1 N3 Co1 109.3(4) . . ?
C7 N3 Co1 108.5(3) . . ?
C13 N3 Co1 97.7(3) . . ?
C22 N4 C18 119.3(5) . . ?
C22 N4 Co2 128.0(4) . . ?
C18 N4 Co2 112.7(4) . . ?
C28 N5 C24 118.6(5) . . ?
C28 N5 Co2 128.1(4) . . ?
C24 N5 Co2 113.1(4) . . ?
C29 N6 C23 113.9(4) . . ?
C29 N6 C17 114.6(5) . . ?
C23 N6 C17 111.5(5) . . ?
C29 N6 Co2 97.7(3) . . ?
C23 N6 Co2 107.8(3) . . ?
C17 N6 Co2 110.3(4) . . ?
N8 N7 Co1 114.8(4) . . ?
N8 N7 Dy1 116.8(4) . . ?
Co1 N7 Dy1 99.0(2) . . ?
N9 N8 N7 176.4(6) . . ?
C14 O1 Co1 110.1(4) . . ?
C15 O2 Co1 109.7(3) . . ?
C15 O2 Dy1 129.1(3) . . ?
Co1 O2 Dy1 111.13(17) . . ?
C16 O3 H3B 109.5 . . ?
C30 O4 Co2 110.0(3) . . ?
C30 O4 Dy1 136.6(3) . 5_667 ?
Co2 O4 Dy1 109.76(15) . 5_667 ?
C31 O5 Co2 109.5(3) . . ?
C31 O5 Dy1 137.1(3) . . ?
Co2 O5 Dy1 105.10(14) . . ?
C32 O6 H6B 109.5 . . ?
Dy1 O7 H7C 109.1 . . ?
Dy1 O7 H7D 109.4 . . ?
H7C O7 H7D 109.5 . . ?
Dy1 O8 H8A 109.5 . . ?
Co2 O9 Dy1 99.04(13) . . ?
Co2 O9 Dy1 100.67(14) . 5_667 ?
Dy1 O9 Dy1 106.37(13) . 5_667 ?

_refine_diff_density_max         2.315
_refine_diff_density_min         -1.079
_refine_diff_density_rms         0.160



# start Validation Reply Form


_vrf_PLAT420_1                   
;
PROBLEM: D-H Without Acceptor       O3       --H3B      .     Please Check 
         D-H Without Acceptor       O6       --H6B      .     Please Check 

RESPONSE: The absence of suitable hydrogen bond interaction in the 
hydroxyl group (O3HB and O6HB) of H3L ligand due to the diffraction contribution 
has been filtered out of the structure and there is no guest water molecules
in 1.
;

_vrf_PLAT430_1                   
;
PROBLEM: _ALERT_2_B Short Inter D...A Contact  O9       ..O11      .       2.74 Ang.  
                                                1-x,1-y,2-z  =      5_667 Check 
         
RESPONSE: The O9 atom come from the ?\`I3-O group and the O11 atom was from the nitrate ion, 
which can't generate the suitable hydrogen bond interaction in 1.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1908069'
loop_
_audit_author_name
_audit_author_address
'Qipeng Li'
;Zhaotong University
China
;
_audit_update_record             
;
2019-07-22 deposited with the CCDC.	2019-07-24 downloaded from the CCDC.
;
_audit_creation_date             2019-07-19
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H82 Co4 Eu2 N18 O18, 2(C2 H3 O2),20[H2O]'
_chemical_formula_sum            'C68 H88 Co4 Eu2 N18 O22'
_chemical_formula_weight         2049.20
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.415(10)
_cell_length_b                   15.275(4)
_cell_length_c                   24.178(7)
_cell_angle_alpha                90
_cell_angle_beta                 124.311(4)
_cell_angle_gamma                90
_cell_volume                     9889(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10660
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4624
_cell_measurement_theta_min      2.9113
_shelx_estimated_absorpt_T_max   0.446
_shelx_estimated_absorpt_T_min   0.531
_exptl_absorpt_coefficient_mu    1.972
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8921
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4128
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            37095
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.457
_diffrn_reflns_theta_min         2.667
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9057
_reflns_number_total             11259
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_collection       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXL (Sheldrick, 2015)'
_refine_diff_density_max         1.837
_refine_diff_density_min         -1.101
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         11259
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0462
_refine_ls_restrained_S_all      1.152
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0768P)²+20.3855P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1355
_refine_ls_wR_factor_ref         0.1502
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2.a Riding coordinates:
 O7(H7C,H7D)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C7(H7A,H7B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B),
 C17(H17A,H17B), C23(H23A,H23B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B)
2.c Me refined with riding coordinates:
 C34(H34A,H34B,H34C)
2.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C19(H19), C20(H20), C21(H21), C22(H22), C25(H25), C26(H26), C27(H27), C28(H28)
2.e Tetrahedral OH refined with riding coordinates:
 O3(H3A), O6(H6A), O8(H8)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Co1 Co 0.31584(2) 0.65859(4) 0.87487(3) 0.04667(16) Uani 1 1 d . . . . .
Co2 Co 0.46331(2) 0.37427(4) 1.04467(3) 0.04169(14) Uani 1 1 d . . . . .
Eu1 Eu 0.43545(2) 0.56264(2) 0.95668(2) 0.04032(9) Uani 1 1 d . . . . .
C1 C 0.2439(2) 0.7810(4) 0.7861(3) 0.0669(14) Uani 1 1 d . . . . .
H1A H 0.231453 0.838748 0.789164 0.080 Uiso 1 1 calc R . . . .
H1B H 0.237003 0.775523 0.740786 0.080 Uiso 1 1 calc R . . . .
C2 C 0.21741(19) 0.7099(4) 0.7968(3) 0.0601(13) Uani 1 1 d . . . . .
C3 C 0.1665(2) 0.7115(5) 0.7670(3) 0.0753(17) Uani 1 1 d . . . . .
H3 H 0.147385 0.760535 0.741042 0.090 Uiso 1 1 calc R . . . .
C4 C 0.1437(2) 0.6421(5) 0.7751(3) 0.0823(19) Uani 1 1 d . . . . .
H4 H 0.108614 0.642090 0.754389 0.099 Uiso 1 1 calc R . . . .
C5 C 0.1726(2) 0.5720(4) 0.8141(3) 0.0726(16) Uani 1 1 d . . . . .
H5 H 0.157383 0.522492 0.819435 0.087 Uiso 1 1 calc R . . . .
C6 C 0.2231(2) 0.5746(4) 0.8446(3) 0.0657(14) Uani 1 1 d . . . . .
H6 H 0.242837 0.527478 0.872894 0.079 Uiso 1 1 calc R . . . .
C7 C 0.3153(2) 0.8384(4) 0.8939(3) 0.0656(14) Uani 1 1 d . . . . .
H7A H 0.292385 0.889160 0.876860 0.079 Uiso 1 1 calc R . . . .
H7B H 0.349377 0.860045 0.911284 0.079 Uiso 1 1 calc R . . . .
C8 C 0.3150(2) 0.7950(4) 0.9491(3) 0.0594(12) Uani 1 1 d . . . . .
C9 C 0.3112(3) 0.8391(5) 0.9955(3) 0.0815(18) Uani 1 1 d . . . . .
H9 H 0.306537 0.900729 0.992541 0.098 Uiso 1 1 calc R . . . .
C10 C 0.3141(3) 0.7925(6) 1.0461(3) 0.091(2) Uani 1 1 d . . . . .
H10 H 0.312866 0.822317 1.079660 0.109 Uiso 1 1 calc R . . . .
C11 C 0.3187(3) 0.7040(6) 1.0486(3) 0.086(2) Uani 1 1 d . . . . .
H11 H 0.320154 0.671417 1.083084 0.103 Uiso 1 1 calc R . . . .
C12 C 0.3214(2) 0.6617(4) 0.9994(3) 0.0652(14) Uani 1 1 d . . . . .
H12 H 0.324016 0.599699 1.000168 0.078 Uiso 1 1 calc R . . . .
C13 C 0.3317(2) 0.7763(4) 0.8103(3) 0.0575(12) Uani 1 1 d . . . . .
C14 C 0.3128(2) 0.6969(4) 0.7626(3) 0.0645(14) Uani 1 1 d . . . . .
H14A H 0.280352 0.711340 0.720684 0.077 Uiso 1 1 calc R . . . .
H14B H 0.336904 0.682857 0.751149 0.077 Uiso 1 1 calc R . . . .
C15 C 0.38441(18) 0.7551(4) 0.8696(3) 0.0589(12) Uani 1 1 d . . . . .
H15A H 0.405005 0.736359 0.853339 0.071 Uiso 1 1 calc R . . . .
H15B H 0.399883 0.808140 0.897530 0.071 Uiso 1 1 calc R . . . .
C16 C 0.3277(2) 0.8598(4) 0.7731(3) 0.0729(16) Uani 1 1 d . . . . .
H16A H 0.346776 0.851941 0.752784 0.087 Uiso 1 1 calc R . . . .
H16B H 0.292269 0.869232 0.736250 0.087 Uiso 1 1 calc R . . . .
C17 C 0.4488(3) 0.1986(4) 1.0643(3) 0.0744(16) Uani 1 1 d . . . . .
H17A H 0.461364 0.149962 1.050571 0.089 Uiso 1 1 calc R . . . .
H17B H 0.422753 0.174750 1.069491 0.089 Uiso 1 1 calc R . . . .
C18 C 0.4909(2) 0.2347(3) 1.1302(3) 0.0587(12) Uani 1 1 d . . . . .
C19 C 0.5174(3) 0.1831(4) 1.1869(3) 0.0746(16) Uani 1 1 d . . . . .
H19 H 0.510037 0.122559 1.184965 0.090 Uiso 1 1 calc R . . . .
C20 C 0.5543(3) 0.2207(5) 1.2457(3) 0.085(2) Uani 1 1 d . . . . .
H20 H 0.573129 0.185847 1.284915 0.102 Uiso 1 1 calc R . . . .
C21 C 0.5642(2) 0.3090(5) 1.2484(3) 0.0728(16) Uani 1 1 d . . . . .
H21 H 0.589580 0.335740 1.289254 0.087 Uiso 1 1 calc R . . . .
C22 C 0.5364(2) 0.3574(4) 1.1903(2) 0.0583(12) Uani 1 1 d . . . . .
H22 H 0.542444 0.418487 1.191807 0.070 Uiso 1 1 calc R . . . .
C23 C 0.3728(2) 0.2866(4) 0.9867(3) 0.0654(14) Uani 1 1 d . . . . .
H23A H 0.353890 0.306989 0.939653 0.078 Uiso 1 1 calc R . . . .
H23B H 0.356515 0.233070 0.988766 0.078 Uiso 1 1 calc R . . . .
C24 C 0.3732(2) 0.3557(4) 1.0302(3) 0.0600(13) Uani 1 1 d . . . . .
C25 C 0.3345(2) 0.3681(5) 1.0380(4) 0.0811(19) Uani 1 1 d . . . . .
H25 H 0.305969 0.331018 1.015565 0.097 Uiso 1 1 calc R . . . .
C26 C 0.3377(3) 0.4344(5) 1.0784(4) 0.082(2) Uani 1 1 d . . . . .
H26 H 0.310881 0.445365 1.082881 0.098 Uiso 1 1 calc R . . . .
C27 C 0.3799(2) 0.4847(4) 1.1121(3) 0.0674(14) Uani 1 1 d . . . . .
H27 H 0.383061 0.529511 1.141497 0.081 Uiso 1 1 calc R . . . .
C28 C 0.4179(2) 0.4701(4) 1.1034(3) 0.0559(11) Uani 1 1 d . . . . .
H28 H 0.447310 0.504663 1.127400 0.067 Uiso 1 1 calc R . . . .
C29 C 0.43323(18) 0.2533(3) 0.9541(2) 0.0488(11) Uani 1 1 d . . . . .
C30 C 0.4895(2) 0.2509(3) 0.9885(3) 0.0579(12) Uani 1 1 d . . . . .
H30A H 0.503953 0.198794 1.017746 0.069 Uiso 1 1 calc R . . . .
H30B H 0.497734 0.248384 0.954805 0.069 Uiso 1 1 calc R . . . .
C31 C 0.41381(19) 0.3384(3) 0.9123(2) 0.0520(11) Uani 1 1 d . . . . .
H31A H 0.431197 0.348078 0.889808 0.062 Uiso 1 1 calc R . . . .
H31B H 0.377606 0.332946 0.877365 0.062 Uiso 1 1 calc R . . . .
C32 C 0.4075(2) 0.1706(4) 0.9123(3) 0.0675(15) Uani 1 1 d . . . . .
H32A H 0.416170 0.162100 0.879492 0.081 Uiso 1 1 calc R . . . .
H32B H 0.418895 0.118664 0.941922 0.081 Uiso 1 1 calc R . . . .
C33 C 0.4391(2) 0.3926(4) 0.7818(3) 0.0579(12) Uani 1 1 d . . . . .
C34 C 0.4396(3) 0.3232(5) 0.7394(4) 0.092(2) Uani 1 1 d . . . . .
H34A H 0.405487 0.312854 0.700421 0.138 Uiso 1 1 calc R . . . .
H34B H 0.460621 0.341776 0.724214 0.138 Uiso 1 1 calc R . . . .
H34C H 0.453038 0.269106 0.765414 0.138 Uiso 1 1 calc R . . . .
N1 N 0.24577(15) 0.6417(3) 0.8361(2) 0.0550(10) Uani 1 1 d . . . . .
N2 N 0.32020(15) 0.7070(3) 0.95171(19) 0.0548(10) Uani 1 1 d . . . . .
N3 N 0.29942(15) 0.7752(3) 0.83803(19) 0.0515(9) Uani 1 1 d . . . . .
N4 N 0.50135(16) 0.3208(3) 1.1319(2) 0.0514(9) Uani 1 1 d . . . . .
N5 N 0.41383(15) 0.4079(3) 1.0614(2) 0.0502(9) Uani 1 1 d . . . . .
N6 N 0.42631(16) 0.2669(3) 1.0111(2) 0.0528(9) Uani 1 1 d . . . . .
N7 N 0.34119(15) 0.5440(3) 0.91660(19) 0.0507(9) Uani 1 1 d . . . . .
N8 N 0.31922(16) 0.4803(3) 0.8807(2) 0.0608(11) Uani 1 1 d . . . . .
N9 N 0.3008(2) 0.4202(4) 0.8503(4) 0.096(2) Uani 1 1 d . . . . .
O1 O 0.30692(12) 0.6233(2) 0.79330(16) 0.0537(8) Uani 1 1 d . . . . .
O2 O 0.38298(12) 0.6875(2) 0.90873(16) 0.0494(7) Uani 1 1 d . . . . .
O3 O 0.3453(2) 0.9342(3) 0.8134(3) 0.0983(17) Uani 1 1 d . . . . .
H3A H 0.342375 0.977789 0.790292 0.147 Uiso 1 1 calc R . . . .
O4 O 0.50900(11) 0.3287(2) 1.02710(16) 0.0466(7) Uani 1 1 d . . . . .
O5 O 0.42245(12) 0.4102(2) 0.95449(14) 0.0448(7) Uani 1 1 d . . . . .
O6 O 0.3537(2) 0.1807(4) 0.8776(3) 0.1119(19) Uani 1 1 d . . . . .
H6A H 0.339374 0.135455 0.854973 0.168 Uiso 1 1 calc R . . . .
O7 O 0.39046(13) 0.5371(3) 0.84023(16) 0.0574(8) Uani 1 1 d . . . . .
H7C H 0.408451 0.507982 0.831452 0.086 Uiso 1 1 d R . . . .
H7D H 0.382881 0.586032 0.820011 0.086 Uiso 1 1 d R . . . .
O8 O 0.44048(13) 0.6406(2) 1.04792(17) 0.0578(8) Uani 1 1 d . . . . .
H8 H 0.465340 0.622734 1.084638 0.087 Uiso 1 1 calc R . . . .
O9 O 0.49882(10) 0.48385(19) 1.06032(14) 0.0415(6) Uani 1 1 d . . . A 1
O10 O 0.39742(17) 0.4273(3) 0.7612(2) 0.0828(14) Uani 1 1 d . . . . .
O11 O 0.47997(15) 0.4147(3) 0.8344(2) 0.0702(10) Uani 1 1 d . . . B 2


_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
Co1 N1 1.924(4) . ?
Co1 N2 1.930(4) . ?
Co1 N3 1.927(4) . ?
Co1 N7 1.955(4) . ?
Co1 O1 1.903(3) . ?
Co1 O2 1.895(3) . ?
Co2 N4 1.924(4) . ?
Co2 N5 1.933(4) . ?
Co2 N6 1.921(4) . ?
Co2 O4 1.889(3) . ?
Co2 O5 1.885(3) . ?
Co2 O9 1.944(3) . ?
Eu1 N7 2.649(4) . ?
Eu1 O2 2.377(3) . ?
Eu1 O4 2.314(3) 5_667 ?
Eu1 O5 2.362(3) . ?
Eu1 O7 2.362(3) . ?
Eu1 H7C 2.7646 . ?
Eu1 H7D 2.7572 . ?
Eu1 O8 2.430(4) . ?
Eu1 O9 2.490(3) 5_667 ?
Eu1 O9 2.479(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.494(8) . ?
C1 N3 1.508(7) . ?
C2 C3 1.379(8) . ?
C2 N1 1.360(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.368(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.366(8) . ?
C6 H6 0.9500 . ?
C6 N1 1.344(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.497(8) . ?
C7 N3 1.495(7) . ?
C8 C9 1.372(8) . ?
C8 N2 1.351(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.373(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.358(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.396(8) . ?
C12 H12 0.9500 . ?
C12 N2 1.328(7) . ?
C13 C14 1.543(8) . ?
C13 C15 1.523(7) . ?
C13 C16 1.524(7) . ?
C13 N3 1.528(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 O1 1.416(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 O2 1.419(6) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 O3 1.392(9) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.502(8) . ?
C17 N6 1.488(7) . ?
C18 C19 1.383(8) . ?
C18 N4 1.353(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.365(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.380(10) . ?
C21 H21 0.9500 . ?
C21 C22 1.381(8) . ?
C22 H22 0.9500 . ?
C22 N4 1.338(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.485(8) . ?
C23 N6 1.514(7) . ?
C24 C25 1.383(8) . ?
C24 N5 1.350(6) . ?
C25 H25 0.9500 . ?
C25 C26 1.370(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.367(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.379(8) . ?
C28 H28 0.9500 . ?
C28 N5 1.341(7) . ?
C29 C30 1.521(7) . ?
C29 C31 1.546(7) . ?
C29 C32 1.537(7) . ?
C29 N6 1.530(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 O4 1.420(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 O5 1.414(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 O6 1.454(8) . ?
C33 C34 1.482(8) . ?
C33 O10 1.262(7) . ?
C33 O11 1.261(6) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
N7 N8 1.230(6) . ?
N8 N9 1.116(7) . ?
O3 H3A 0.8400 . ?
O6 H6A 0.8400 . ?
O7 H7C 0.8501 . ?
O7 H7D 0.8499 . ?
O8 H8 0.8400 . ?

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
N1 Co1 Eu1 147.11(14) . . ?
N1 Co1 N2 86.94(18) . . ?
N1 Co1 N3 87.48(18) . . ?
N1 Co1 N7 99.72(19) . . ?
N2 Co1 Eu1 99.13(12) . . ?
N2 Co1 N7 93.74(18) . . ?
N3 Co1 Eu1 124.95(13) . . ?
N3 Co1 N2 86.67(18) . . ?
N3 Co1 N7 172.80(18) . . ?
N7 Co1 Eu1 47.88(12) . . ?
O1 Co1 Eu1 86.58(10) . . ?
O1 Co1 N1 90.50(16) . . ?
O1 Co1 N2 172.93(17) . . ?
O1 Co1 N3 86.63(16) . . ?
O1 Co1 N7 93.19(16) . . ?
O2 Co1 Eu1 39.02(10) . . ?
O2 Co1 N1 173.76(17) . . ?
O2 Co1 N2 92.97(16) . . ?
O2 Co1 N3 86.29(16) . . ?
O2 Co1 N7 86.51(16) . . ?
O2 Co1 O1 88.86(15) . . ?
Eu1 Co2 Eu1 70.955(16) . 5_667 ?
N4 Co2 Eu1 145.96(13) . . ?
N4 Co2 Eu1 95.95(12) . 5_667 ?
N4 Co2 N5 88.74(17) . . ?
N4 Co2 O9 102.04(16) . . ?
N5 Co2 Eu1 146.82(13) . 5_667 ?
N5 Co2 Eu1 86.95(13) . . ?
N5 Co2 O9 101.56(15) . . ?
N6 Co2 Eu1 125.36(13) . . ?
N6 Co2 Eu1 127.42(13) . 5_667 ?
N6 Co2 N4 87.84(18) . . ?
N6 Co2 N5 85.47(18) . . ?
N6 Co2 O9 167.89(15) . . ?
O4 Co2 Eu1 97.89(10) . . ?
O4 Co2 Eu1 39.42(9) . 5_667 ?
O4 Co2 N4 89.46(16) . . ?
O4 Co2 N5 173.70(16) . . ?
O4 Co2 N6 88.43(16) . . ?
O4 Co2 O9 84.71(13) . . ?
O5 Co2 Eu1 87.69(10) . 5_667 ?
O5 Co2 Eu1 42.36(10) . . ?
O5 Co2 N4 171.68(16) . . ?
O5 Co2 N5 92.30(16) . . ?
O5 Co2 N6 84.01(16) . . ?
O5 Co2 O4 88.62(14) . . ?
O5 Co2 O9 85.85(13) . . ?
O9 Co2 Eu1 45.32(9) . 5_667 ?
O9 Co2 Eu1 46.31(9) . . ?
Co1 Eu1 Eu1 175.611(15) . 5_667 ?
Co1 Eu1 H7C 86.7 . . ?
Co1 Eu1 H7D 62.1 . . ?
Co2 Eu1 Co1 121.680(18) . . ?
Co2 Eu1 Co1 129.15(2) 5_667 . ?
Co2 Eu1 Co2 109.045(16) . 5_667 ?
Co2 Eu1 Eu1 55.154(14) . 5_667 ?
Co2 Eu1 Eu1 53.89(2) 5_667 5_667 ?
Co2 Eu1 H7C 103.8 . . ?
Co2 Eu1 H7C 77.8 5_667 . ?
Co2 Eu1 H7D 129.0 . . ?
Co2 Eu1 H7D 84.3 5_667 . ?
Eu1 Eu1 H7C 91.2 5_667 . ?
Eu1 Eu1 H7D 116.8 5_667 . ?
N7 Eu1 Co1 33.20(9) . . ?
N7 Eu1 Co2 159.55(9) . 5_667 ?
N7 Eu1 Co2 89.00(9) . . ?
N7 Eu1 Eu1 143.00(9) . 5_667 ?
N7 Eu1 H7C 88.8 . . ?
N7 Eu1 H7D 76.7 . . ?
O2 Eu1 Co1 30.14(8) . . ?
O2 Eu1 Co2 101.24(8) . 5_667 ?
O2 Eu1 Co2 148.50(8) . . ?
O2 Eu1 Eu1 153.89(8) . 5_667 ?
O2 Eu1 N7 63.08(12) . . ?
O2 Eu1 H7C 90.6 . . ?
O2 Eu1 H7D 61.5 . . ?
O2 Eu1 O8 73.32(12) . . ?
O2 Eu1 O9 147.13(11) . . ?
O2 Eu1 O9 126.29(11) . 5_667 ?
O4 Eu1 Co1 107.54(8) 5_667 . ?
O4 Eu1 Co2 31.22(8) 5_667 5_667 ?
O4 Eu1 Co2 126.64(8) 5_667 . ?
O4 Eu1 Eu1 76.56(8) 5_667 5_667 ?
O4 Eu1 N7 140.00(12) 5_667 . ?
O4 Eu1 O2 77.40(11) 5_667 . ?
O4 Eu1 O5 145.38(11) 5_667 . ?
O4 Eu1 O7 102.65(13) 5_667 . ?
O4 Eu1 H7C 97.9 5_667 . ?
O4 Eu1 H7D 90.4 5_667 . ?
O4 Eu1 O8 81.20(12) 5_667 . ?
O4 Eu1 O9 64.91(10) 5_667 5_667 ?
O4 Eu1 O9 93.13(10) 5_667 . ?
O5 Eu1 Co1 105.74(8) . . ?
O5 Eu1 Co2 115.81(8) . 5_667 ?
O5 Eu1 Co2 32.52(7) . . ?
O5 Eu1 Eu1 69.96(8) . 5_667 ?
O5 Eu1 N7 74.42(12) . . ?
O5 Eu1 O2 135.27(11) . . ?
O5 Eu1 H7C 74.7 . . ?
O5 Eu1 H7D 96.8 . . ?
O5 Eu1 O8 115.05(12) . . ?
O5 Eu1 O9 65.14(10) . . ?
O5 Eu1 O9 82.73(10) . 5_667 ?
O7 Eu1 Co1 69.84(9) . . ?
O7 Eu1 Co2 89.21(9) . 5_667 ?
O7 Eu1 Co2 112.07(10) . . ?
O7 Eu1 Eu1 108.01(9) . 5_667 ?
O7 Eu1 N7 74.72(12) . . ?
O7 Eu1 O2 76.10(12) . . ?
O7 Eu1 O5 80.10(12) . . ?
O7 Eu1 H7C 16.8 . . ?
O7 Eu1 H7D 17.0 . . ?
O7 Eu1 O8 147.51(12) . . ?
O7 Eu1 O9 136.72(11) . . ?
O7 Eu1 O9 76.52(11) . 5_667 ?
H7C Eu1 H7D 29.1 . . ?
O8 Eu1 Co1 78.20(8) . . ?
O8 Eu1 Co2 89.34(9) . . ?
O8 Eu1 Co2 107.17(9) . 5_667 ?
O8 Eu1 Eu1 104.27(8) . 5_667 ?
O8 Eu1 N7 81.85(12) . . ?
O8 Eu1 H7C 163.7 . . ?
O8 Eu1 H7D 134.8 . . ?
O8 Eu1 O9 74.15(11) . . ?
O8 Eu1 O9 131.58(11) . 5_667 ?
O9 Eu1 Co1 142.96(7) 5_667 . ?
O9 Eu1 Co1 142.28(7) . . ?
O9 Eu1 Co2 84.91(7) 5_667 . ?
O9 Eu1 Co2 83.92(7) . 5_667 ?
O9 Eu1 Co2 33.72(7) 5_667 5_667 ?
O9 Eu1 Co2 34.55(7) . . ?
O9 Eu1 Eu1 37.26(7) . 5_667 ?
O9 Eu1 Eu1 37.06(7) 5_667 5_667 ?
O9 Eu1 N7 145.77(11) 5_667 . ?
O9 Eu1 N7 116.44(11) . . ?
O9 Eu1 H7C 122.1 . . ?
O9 Eu1 H7C 60.3 5_667 . ?
O9 Eu1 H7D 151.0 . . ?
O9 Eu1 H7D 81.2 5_667 . ?
O9 Eu1 O9 74.32(11) . 5_667 ?
H1A C1 H1B 108.1 . . ?
C2 C1 H1A 109.6 . . ?
C2 C1 H1B 109.6 . . ?
C2 C1 N3 110.2(4) . . ?
N3 C1 H1A 109.6 . . ?
N3 C1 H1B 109.6 . . ?
C3 C2 C1 122.2(5) . . ?
N1 C2 C1 116.7(5) . . ?
N1 C2 C3 121.1(6) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.8(6) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 118.9(6) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119.3(6) . . ?
C6 C5 H5 120.3 . . ?
C5 C6 H6 118.9 . . ?
N1 C6 C5 122.2(6) . . ?
N1 C6 H6 118.9 . . ?
H7A C7 H7B 108.1 . . ?
C8 C7 H7A 109.6 . . ?
C8 C7 H7B 109.6 . . ?
N3 C7 H7A 109.6 . . ?
N3 C7 H7B 109.6 . . ?
N3 C7 C8 110.3(5) . . ?
C9 C8 C7 124.1(6) . . ?
N2 C8 C7 114.7(5) . . ?
N2 C8 C9 121.1(6) . . ?
C8 C9 H9 120.6 . . ?
C8 C9 C10 118.8(7) . . ?
C10 C9 H9 120.6 . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.3(6) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.6 . . ?
C10 C11 C12 118.8(6) . . ?
C12 C11 H11 120.6 . . ?
C11 C12 H12 119.6 . . ?
N2 C12 C11 120.8(6) . . ?
N2 C12 H12 119.6 . . ?
C15 C13 C14 107.4(4) . . ?
C15 C13 C16 114.3(5) . . ?
C15 C13 N3 105.4(4) . . ?
C16 C13 C14 110.6(5) . . ?
C16 C13 N3 114.7(4) . . ?
N3 C13 C14 103.7(4) . . ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
O1 C14 C13 110.3(4) . . ?
O1 C14 H14A 109.6 . . ?
O1 C14 H14B 109.6 . . ?
C13 C15 H15A 109.7 . . ?
C13 C15 H15B 109.7 . . ?
H15A C15 H15B 108.2 . . ?
O2 C15 C13 110.0(4) . . ?
O2 C15 H15A 109.7 . . ?
O2 C15 H15B 109.7 . . ?
C13 C16 H16A 108.8 . . ?
C13 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
O3 C16 C13 113.9(5) . . ?
O3 C16 H16A 108.8 . . ?
O3 C16 H16B 108.8 . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
N6 C17 H17A 109.3 . . ?
N6 C17 H17B 109.3 . . ?
N6 C17 C18 111.6(5) . . ?
C19 C18 C17 121.8(5) . . ?
N4 C18 C17 116.8(5) . . ?
N4 C18 C19 121.3(6) . . ?
C18 C19 H19 120.6 . . ?
C20 C19 C18 118.9(6) . . ?
C20 C19 H19 120.6 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.3(6) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 120.9 . . ?
C20 C21 C22 118.3(6) . . ?
C22 C21 H21 120.9 . . ?
C21 C22 H22 119.0 . . ?
N4 C22 C21 122.0(6) . . ?
N4 C22 H22 119.0 . . ?
H23A C23 H23B 108.4 . . ?
C24 C23 H23A 110.0 . . ?
C24 C23 H23B 110.0 . . ?
C24 C23 N6 108.4(4) . . ?
N6 C23 H23A 110.0 . . ?
N6 C23 H23B 110.0 . . ?
C25 C24 C23 123.2(5) . . ?
N5 C24 C23 115.6(5) . . ?
N5 C24 C25 121.2(5) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 C24 119.2(6) . . ?
C26 C25 H25 120.4 . . ?
C25 C26 H26 120.3 . . ?
C27 C26 C25 119.3(6) . . ?
C27 C26 H26 120.3 . . ?
C26 C27 H27 120.1 . . ?
C26 C27 C28 119.8(6) . . ?
C28 C27 H27 120.1 . . ?
C27 C28 H28 119.5 . . ?
N5 C28 C27 121.0(5) . . ?
N5 C28 H28 119.5 . . ?
C30 C29 C31 107.3(4) . . ?
C30 C29 C32 112.3(4) . . ?
C30 C29 N6 104.5(4) . . ?
C32 C29 C31 113.0(4) . . ?
N6 C29 C31 105.2(4) . . ?
N6 C29 C32 113.7(4) . . ?
C29 C30 H30A 110.3 . . ?
C29 C30 H30B 110.3 . . ?
H30A C30 H30B 108.6 . . ?
O4 C30 C29 106.9(4) . . ?
O4 C30 H30A 110.3 . . ?
O4 C30 H30B 110.3 . . ?
C29 C31 H31A 109.7 . . ?
C29 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
O5 C31 C29 109.7(4) . . ?
O5 C31 H31A 109.7 . . ?
O5 C31 H31B 109.7 . . ?
C29 C32 H32A 109.9 . . ?
C29 C32 H32B 109.9 . . ?
H32A C32 H32B 108.3 . . ?
O6 C32 C29 108.9(5) . . ?
O6 C32 H32A 109.9 . . ?
O6 C32 H32B 109.9 . . ?
O10 C33 C34 117.1(5) . . ?
O11 C33 C34 118.3(5) . . ?
O11 C33 O10 124.6(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C2 N1 Co1 112.6(4) . . ?
C6 N1 Co1 128.7(4) . . ?
C6 N1 C2 118.6(5) . . ?
C8 N2 Co1 113.4(3) . . ?
C12 N2 Co1 126.0(4) . . ?
C12 N2 C8 120.0(5) . . ?
C1 N3 Co1 109.2(3) . . ?
C1 N3 C13 115.1(4) . . ?
C7 N3 Co1 108.3(3) . . ?
C7 N3 C1 110.9(4) . . ?
C7 N3 C13 114.5(4) . . ?
C13 N3 Co1 97.7(3) . . ?
C18 N4 Co2 112.6(3) . . ?
C22 N4 Co2 128.2(4) . . ?
C22 N4 C18 119.1(5) . . ?
C24 N5 Co2 112.9(3) . . ?
C28 N5 Co2 127.5(4) . . ?
C28 N5 C24 119.4(5) . . ?
C17 N6 Co2 110.4(3) . . ?
C17 N6 C23 111.8(4) . . ?
C17 N6 C29 115.7(4) . . ?
C23 N6 Co2 107.5(3) . . ?
C23 N6 C29 113.1(4) . . ?
C29 N6 Co2 97.0(3) . . ?
Co1 N7 Eu1 98.92(17) . . ?
N8 N7 Co1 115.9(3) . . ?
N8 N7 Eu1 115.7(3) . . ?
N9 N8 N7 177.0(6) . . ?
C14 O1 Co1 109.3(3) . . ?
Co1 O2 Eu1 110.84(15) . . ?
C15 O2 Co1 110.0(3) . . ?
C15 O2 Eu1 128.8(3) . . ?
C16 O3 H3A 109.5 . . ?
Co2 O4 Eu1 109.36(14) . 5_667 ?
C30 O4 Co2 110.0(3) . . ?
C30 O4 Eu1 136.6(3) . 5_667 ?
Co2 O5 Eu1 105.12(13) . . ?
C31 O5 Co2 109.5(3) . . ?
C31 O5 Eu1 137.8(3) . . ?
C32 O6 H6A 109.5 . . ?
Eu1 O7 H7C 109.6 . . ?
Eu1 O7 H7D 108.9 . . ?
H7C O7 H7D 109.5 . . ?
Eu1 O8 H8 109.5 . . ?
Co2 O9 Eu1 100.96(12) . 5_667 ?
Co2 O9 Eu1 99.15(11) . . ?
Eu1 O9 Eu1 105.68(11) . 5_667 ?

_olex2_submission_special_instructions 'No special instructions were received'



# start Validation Reply Form

_vrf_PLAT420_4                   
;
PROBLEM: D-H Without Acceptor       O3       --H3A      .     Please Check 
         D-H Without Acceptor       O6       --H6A      .     Please Check 

RESPONSE: The absence of suitable hydrogen bond interaction in the 
hydroxyl group (O3HA and O6HA) of H3L ligand due to the diffraction contribution 
has been filtered out of the structure and there is no guest water molecules
in 4.
;

# end Validation Reply Form
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 1908068'
loop_
_audit_author_name
_audit_author_address
'Qipeng Li'
;Zhaotong University
China
;
_audit_update_record             
;
2019-07-22 deposited with the CCDC.	2019-07-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C64 H84 Co4 N18 O18 Tb2, 2(C2 H3 O2),20[H2O]'
_chemical_formula_sum            'C68 H88 Co4 N18 O22 Tb2'
_chemical_formula_weight         2063.12

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

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.233(5)
_cell_length_b                   15.176(2)
_cell_length_c                   24.082(4)
_cell_angle_alpha                90
_cell_angle_beta                 124.194(2)
_cell_angle_gamma                90
_cell_volume                     9744(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    13646
_cell_measurement_theta_min      2.0758
_cell_measurement_theta_max      27.4778

_exptl_crystal_description       Prism
_exptl_crystal_colour            'Red Brown'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_F_000             4144
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    2.165
_shelx_estimated_absorpt_T_min   0.512
_shelx_estimated_absorpt_T_max   0.663
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6337
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37448
_diffrn_reflns_av_unetI/netI     0.0411
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.443
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             11042
_reflns_number_gt                9511
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_structure_solution    'Saint+ ver. V8.34A (Bruker AXS)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_publication_material  'SHELXL-2017/1 (Sheldrick, 2017)'
_refine_special_details          'SHELXL-2017/1 (Sheldrick, 2017),SQUEEZE'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1463P)²+5.1947P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11042
_refine_ls_number_parameters     514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_gt           0.0540
_refine_ls_wR_factor_ref         0.1977
_refine_ls_wR_factor_gt          0.1714
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_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_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
Co1 Co 0.18396(3) 0.65802(4) 0.12444(3) 0.03742(17) Uani 1 1 d . . . . .
Co2 Co 0.03640(2) 0.37504(4) -0.04470(3) 0.03164(16) Uani 1 1 d . . . . .
Tb1 Tb 0.06450(2) 0.56251(2) 0.04326(2) 0.03168(11) Uani 1 1 d . . . . .
C1 C -0.03751(19) 0.3582(3) -0.1907(3) 0.0415(10) Uani 1 1 d . . . . .
H1 H -0.044036 0.419457 -0.191650 0.050 Uiso 1 1 calc R U . . .
C2 C -0.0654(2) 0.3101(4) -0.2499(3) 0.0498(12) Uani 1 1 d . . . . .
H2 H -0.090624 0.337422 -0.290783 0.060 Uiso 1 1 calc R U . . .
C3 C -0.0550(3) 0.2202(4) -0.2475(3) 0.0566(15) Uani 1 1 d . . . . .
H3 H -0.074023 0.184959 -0.286698 0.068 Uiso 1 1 calc R U . . .
C4 C -0.0175(3) 0.1835(4) -0.1886(3) 0.0537(14) Uani 1 1 d . . . . .
H4 H -0.009170 0.123200 -0.187189 0.064 Uiso 1 1 calc R U . . .
C5 C 0.0084(2) 0.2339(3) -0.1306(3) 0.0443(11) Uani 1 1 d . . . . .
C6 C 0.0508(2) 0.1978(3) -0.0639(3) 0.0524(14) Uani 1 1 d . . . . .
H6A H 0.076835 0.172983 -0.069143 0.063 Uiso 1 1 calc R U . . .
H6B H 0.037940 0.149472 -0.049995 0.063 Uiso 1 1 calc R U . . .
C7 C 0.08265(19) 0.4709(3) -0.1034(2) 0.0381(10) Uani 1 1 d . . . . .
H7 H 0.052956 0.505378 -0.127797 0.046 Uiso 1 1 calc R U . . .
C8 C 0.1213(2) 0.4866(4) -0.1119(3) 0.0461(11) Uani 1 1 d . . . . .
H8 H 0.118723 0.532720 -0.140392 0.055 Uiso 1 1 calc R U . . .
C9 C 0.1633(3) 0.4338(4) -0.0781(4) 0.0578(16) Uani 1 1 d . . . . .
H9 H 0.190472 0.443635 -0.082533 0.069 Uiso 1 1 calc R U . . .
C10 C 0.1656(2) 0.3684(4) -0.0390(3) 0.0574(15) Uani 1 1 d . . . . .
H10 H 0.193986 0.330556 -0.016842 0.069 Uiso 1 1 calc R U . . .
C11 C 0.1272(2) 0.3558(4) -0.0306(3) 0.0455(12) Uani 1 1 d . . . . .
C12 C 0.1270(2) 0.2855(4) 0.0135(3) 0.0467(12) Uani 1 1 d . . . . .
H12A H 0.146319 0.305670 0.060727 0.056 Uiso 1 1 calc R U . . .
H12B H 0.142924 0.231140 0.011023 0.056 Uiso 1 1 calc R U . . .
C13 C 0.06631(18) 0.2529(3) 0.0453(2) 0.0385(11) Uani 1 1 d . . . . .
C14 C 0.0927(2) 0.1706(3) 0.0884(3) 0.0513(13) Uani 1 1 d . . . . .
H14A H 0.083386 0.161962 0.120837 0.062 Uiso 1 1 calc R U . . .
H14B H 0.082239 0.117741 0.059426 0.062 Uiso 1 1 calc R U . . .
C15 C 0.08561(19) 0.3386(3) 0.0884(3) 0.0393(10) Uani 1 1 d . . . . .
H15A H 0.067349 0.348316 0.109976 0.047 Uiso 1 1 calc R U . . .
H15B H 0.121796 0.332960 0.124179 0.047 Uiso 1 1 calc R U . . .
C16 C 0.0094(2) 0.2495(3) 0.0101(3) 0.0452(12) Uani 1 1 d . . . . .
H16A H -0.004778 0.197610 -0.019911 0.054 Uiso 1 1 calc R U . . .
H16B H 0.000747 0.245581 0.043491 0.054 Uiso 1 1 calc R U . . .
C17 C 0.2773(3) 0.5729(4) 0.1546(3) 0.0524(14) Uani 1 1 d . . . . .
H17 H 0.257113 0.525607 0.126422 0.063 Uiso 1 1 calc R U . . .
C18 C 0.3277(3) 0.5693(4) 0.1843(4) 0.0576(16) Uani 1 1 d . . . . .
H18A H 0.342451 0.519713 0.177815 0.069 Uiso 1 1 calc R U . . .
C19 C 0.3569(2) 0.6386(5) 0.2240(3) 0.0600(15) Uani 1 1 d . . . . .
H19 H 0.392208 0.637238 0.245145 0.072 Uiso 1 1 calc R U . . .
C20 C 0.3344(2) 0.7106(5) 0.2328(3) 0.0538(13) Uani 1 1 d . . . . .
H20 H 0.353862 0.759841 0.258776 0.065 Uiso 1 1 calc R U . . .
C21 C 0.2830(2) 0.7088(4) 0.2027(3) 0.0450(11) Uani 1 1 d . . . . .
C22 C 0.2563(2) 0.7810(4) 0.2143(3) 0.0474(12) Uani 1 1 d . . . . .
H22A H 0.263007 0.774571 0.259579 0.057 Uiso 1 1 calc R U . . .
H22B H 0.269021 0.839185 0.211844 0.057 Uiso 1 1 calc R U . . .
C23 C 0.1780(2) 0.6622(4) -0.0012(3) 0.0472(12) Uani 1 1 d . . . . .
H23 H 0.174541 0.599888 -0.002979 0.057 Uiso 1 1 calc R U . . .
C24 C 0.1811(2) 0.7044(5) -0.0494(3) 0.0586(15) Uani 1 1 d . . . . .
H24 H 0.179447 0.671693 -0.084159 0.070 Uiso 1 1 calc R U . . .
C25 C 0.1866(3) 0.7957(5) -0.0466(3) 0.0632(16) Uani 1 1 d . . . . .
H25 H 0.188602 0.825862 -0.079548 0.076 Uiso 1 1 calc R U . . .
C26 C 0.1892(2) 0.8419(4) 0.0051(3) 0.0557(14) Uani 1 1 d . . . . .
H26 H 0.193553 0.904008 0.008619 0.067 Uiso 1 1 calc R U . . .
C27 C 0.1854(2) 0.7955(4) 0.0505(3) 0.0435(11) Uani 1 1 d . . . . .
C28 C 0.1851(2) 0.8392(3) 0.1074(3) 0.0472(11) Uani 1 1 d . . . . .
H28A H 0.208339 0.890021 0.124911 0.057 Uiso 1 1 calc R U . . .
H28B H 0.150952 0.861384 0.090035 0.057 Uiso 1 1 calc R U . . .
C29 C 0.1723(2) 0.8591(4) 0.2275(3) 0.0547(14) Uani 1 1 d . . . . .
H29A H 0.153503 0.850664 0.248446 0.066 Uiso 1 1 calc R U . . .
H29B H 0.207854 0.869230 0.264115 0.066 Uiso 1 1 calc R U . . .
C30 C 0.1689(2) 0.7749(4) 0.1916(3) 0.0449(11) Uani 1 1 d . . . . .
C31 C 0.1888(2) 0.6951(4) 0.2398(3) 0.0518(13) Uani 1 1 d . . . . .
H31A H 0.221823 0.709301 0.281161 0.062 Uiso 1 1 calc R U . . .
H31B H 0.165257 0.680691 0.252646 0.062 Uiso 1 1 calc R U . . .
C32 C 0.1153(2) 0.7549(4) 0.1310(3) 0.0472(12) Uani 1 1 d . . . . .
H32A H 0.094276 0.735895 0.146904 0.057 Uiso 1 1 calc R U . . .
H32B H 0.100176 0.808718 0.103512 0.057 Uiso 1 1 calc R U . . .
C33 C -0.0609(2) 0.6087(4) -0.2187(3) 0.0441(11) Uani 1 1 d . . . . .
C34 C -0.0617(2) 0.6769(4) -0.2627(3) 0.0562(14) Uani 1 1 d . . . . .
H34A H -0.096233 0.686318 -0.301221 0.084 Uiso 1 1 calc R U . . .
H34B H -0.048188 0.732075 -0.237598 0.084 Uiso 1 1 calc R U . . .
H34C H -0.041059 0.657774 -0.278723 0.084 Uiso 1 1 calc R U . . .
N1 N -0.00207(16) 0.3215(3) -0.1330(2) 0.0378(8) Uani 1 1 d . . . . .
N2 N 0.08639(15) 0.4083(3) -0.0614(2) 0.0373(8) Uani 1 1 d . . . . .
N3 N 0.07414(17) 0.2670(3) -0.0101(2) 0.0418(9) Uani 1 1 d . . . . .
N4 N 0.25465(16) 0.6412(3) 0.1637(2) 0.0424(9) Uani 1 1 d . . . . .
N5 N 0.17984(16) 0.7067(3) 0.0481(2) 0.0434(9) Uani 1 1 d . . . . .
N6 N 0.20037(16) 0.7758(3) 0.1618(2) 0.0403(9) Uani 1 1 d . . . . .
N7 N 0.15771(17) 0.5442(3) 0.0820(2) 0.0413(9) Uani 1 1 d . . . . .
N8 N 0.18060(19) 0.4792(3) 0.1184(3) 0.0518(11) Uani 1 1 d . . . . .
N9 N 0.1992(2) 0.4176(4) 0.1500(3) 0.0695(16) Uani 1 1 d . . . . .
O1 O -0.00982(12) 0.3292(2) -0.02779(16) 0.0349(6) Uani 1 1 d . . . . .
O2 O 0.1471(2) 0.1830(4) 0.1245(3) 0.0824(16) Uani 1 1 d . . . . .
H2A H 0.161941 0.138223 0.147863 0.124 Uiso 1 1 calc R U . . .
O3 O 0.07757(12) 0.4112(2) 0.04581(16) 0.0332(6) Uani 1 1 d . . . . .
O4 O 0.11669(13) 0.6871(2) 0.09130(18) 0.0402(7) Uani 1 1 d . . . . .
O5 O 0.1540(2) 0.9344(3) 0.1876(3) 0.0677(14) Uani 1 1 d . . . . .
H5 H 0.134759 0.919675 0.147108 0.102 Uiso 1 1 calc R U . . .
O6 O 0.19341(13) 0.6211(2) 0.20637(18) 0.0432(8) Uani 1 1 d . . . . .
O7 O 0.10824(13) 0.5367(3) 0.15832(18) 0.0434(8) Uani 1 1 d . . . . .
H7A H 0.134830 0.508002 0.171101 0.065 Uiso 1 1 d R U . . .
H7B H 0.115930 0.585872 0.178711 0.065 Uiso 1 1 d R U . . .
O8 O 0.06092(13) 0.6406(2) -0.04557(18) 0.0431(8) Uani 1 1 d . . . . .
H8A H 0.035665 0.624037 -0.082631 0.065 Uiso 1 1 calc R U . . .
O9 O 0.00107(11) 0.4859(2) -0.05967(16) 0.0321(6) Uani 1 1 d . . . A 2
O10 O -0.02018(15) 0.5875(3) -0.1670(2) 0.0538(10) Uani 1 1 d . . . B 1
O11 O -0.10281(17) 0.5736(3) -0.2386(2) 0.0559(10) 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
Co1 O4 1.894(3) . ?
Co1 O6 1.903(4) . ?
Co1 N5 1.916(4) . ?
Co1 N6 1.937(4) . ?
Co1 N7 1.942(4) . ?
Co1 N4 1.931(4) . ?
Co2 O1 1.885(3) . ?
Co2 O3 1.887(3) . ?
Co2 N2 1.935(4) . ?
Co2 N1 1.937(4) . ?
Co2 O9 1.949(3) . ?
Co2 N3 1.929(4) . ?
Tb1 O1 2.282(3) 5_565 ?
Tb1 O7 2.330(4) . ?
Tb1 O3 2.330(3) . ?
Tb1 O4 2.358(3) . ?
Tb1 O8 2.391(3) . ?
Tb1 O9 2.445(3) . ?
Tb1 O9 2.470(3) 5_565 ?
Tb1 N7 2.612(4) . ?
C1 N1 1.329(7) . ?
C1 C2 1.391(8) . ?
C1 H1 0.9500 . ?
C2 C3 1.397(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.363(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(8) . ?
C4 H4 0.9500 . ?
C5 N1 1.364(6) . ?
C5 C6 1.510(8) . ?
C6 N3 1.501(7) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 N2 1.343(6) . ?
C7 C8 1.391(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.380(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.343(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.376(7) . ?
C10 H10 0.9500 . ?
C11 N2 1.347(6) . ?
C11 C12 1.508(7) . ?
C12 N3 1.490(7) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 N3 1.506(6) . ?
C13 C16 1.529(7) . ?
C13 C14 1.539(7) . ?
C13 C15 1.560(7) . ?
C14 O2 1.467(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 O3 1.427(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 O1 1.430(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 N4 1.353(7) . ?
C17 C18 1.359(9) . ?
C17 H17 0.9500 . ?
C18 C19 1.376(10) . ?
C18 H18A 0.9500 . ?
C19 C20 1.392(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.387(8) . ?
C20 H20 0.9500 . ?
C21 N4 1.344(7) . ?
C21 C22 1.513(8) . ?
C22 N6 1.513(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 N5 1.337(7) . ?
C23 C24 1.377(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(9) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(9) . ?
C25 H25 0.9500 . ?
C26 C27 1.364(7) . ?
C26 H26 0.9500 . ?
C27 N5 1.358(7) . ?
C27 C28 1.527(8) . ?
C28 N6 1.470(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 O5 1.392(8) . ?
C29 C30 1.512(8) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 N6 1.535(6) . ?
C30 C32 1.542(8) . ?
C30 C31 1.547(8) . ?
C31 O6 1.438(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 O4 1.421(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 O10 1.241(7) . ?
C33 O11 1.270(7) . ?
C33 C34 1.471(7) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
N7 N8 1.248(7) . ?
N8 N9 1.141(8) . ?
O2 H2A 0.8400 . ?
O5 H5 0.8400 . ?
O7 H7A 0.8499 . ?
O7 H7B 0.8502 . ?
O8 H8A 0.8400 . ?

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
O4 Co1 O6 89.08(15) . . ?
O4 Co1 N5 93.45(17) . . ?
O6 Co1 N5 173.07(18) . . ?
O4 Co1 N6 85.95(16) . . ?
O6 Co1 N6 86.96(17) . . ?
N5 Co1 N6 86.79(18) . . ?
O4 Co1 N7 85.92(17) . . ?
O6 Co1 N7 93.02(17) . . ?
N5 Co1 N7 93.60(19) . . ?
N6 Co1 N7 171.87(18) . . ?
O4 Co1 N4 173.38(17) . . ?
O6 Co1 N4 89.79(17) . . ?
N5 Co1 N4 86.96(18) . . ?
N6 Co1 N4 87.48(18) . . ?
N7 Co1 N4 100.65(19) . . ?
O4 Co1 Tb1 39.02(10) . . ?
O6 Co1 Tb1 86.69(11) . . ?
N5 Co1 Tb1 99.33(13) . . ?
N6 Co1 Tb1 124.63(12) . . ?
N7 Co1 Tb1 47.29(13) . . ?
N4 Co1 Tb1 147.37(14) . . ?
O1 Co2 O3 89.19(14) . . ?
O1 Co2 N2 173.38(15) . . ?
O3 Co2 N2 92.15(16) . . ?
O1 Co2 N1 89.19(15) . . ?
O3 Co2 N1 171.90(16) . . ?
N2 Co2 N1 88.58(17) . . ?
O1 Co2 O9 84.74(13) . . ?
O3 Co2 O9 85.50(14) . . ?
N2 Co2 O9 101.82(15) . . ?
N1 Co2 O9 102.25(15) . . ?
O1 Co2 N3 88.61(16) . . ?
O3 Co2 N3 83.34(17) . . ?
N2 Co2 N3 85.11(18) . . ?
N1 Co2 N3 88.69(18) . . ?
O9 Co2 N3 167.08(16) . . ?
O1 Co2 Tb1 98.19(10) . . ?
O3 Co2 Tb1 42.19(10) . . ?
N2 Co2 Tb1 87.11(12) . . ?
N1 Co2 Tb1 145.90(12) . . ?
O9 Co2 Tb1 46.09(9) . . ?
N3 Co2 Tb1 124.53(14) . . ?
O1 Co2 Tb1 39.23(9) . 5_565 ?
O3 Co2 Tb1 87.89(10) . 5_565 ?
N2 Co2 Tb1 147.29(12) . 5_565 ?
N1 Co2 Tb1 95.84(12) . 5_565 ?
N3 Co2 Tb1 127.28(13) . 5_565 ?
Tb1 Co2 Tb1 71.218(14) . 5_565 ?
O1 Tb1 O7 102.18(12) 5_565 . ?
O1 Tb1 O3 145.69(11) 5_565 . ?
O7 Tb1 O3 79.82(12) . . ?
O1 Tb1 O4 77.00(12) 5_565 . ?
O7 Tb1 O4 76.31(12) . . ?
O3 Tb1 O4 135.18(12) . . ?
O1 Tb1 O8 81.52(11) 5_565 . ?
O7 Tb1 O8 147.16(12) . . ?
O3 Tb1 O8 115.42(12) . . ?
O4 Tb1 O8 72.77(12) . . ?
O1 Tb1 O9 92.73(11) 5_565 . ?
O7 Tb1 O9 136.73(11) . . ?
O3 Tb1 O9 66.05(11) . . ?
O4 Tb1 O9 146.95(11) . . ?
O8 Tb1 O9 74.69(11) . . ?
O1 Tb1 O9 65.73(10) 5_565 5_565 ?
O7 Tb1 O9 76.11(11) . 5_565 ?
O3 Tb1 O9 81.99(10) . 5_565 ?
O4 Tb1 O9 126.81(11) . 5_565 ?
O8 Tb1 O9 132.47(11) . 5_565 ?
O9 Tb1 O9 73.60(11) . 5_565 ?
O1 Tb1 N7 139.70(13) 5_565 . ?
O7 Tb1 N7 75.62(13) . . ?
O3 Tb1 N7 74.40(13) . . ?
O4 Tb1 N7 63.24(13) . . ?
O8 Tb1 N7 80.77(13) . . ?
O9 Tb1 N7 116.75(12) . . ?
O9 Tb1 N7 145.78(12) 5_565 . ?
O1 Tb1 Co2 126.74(8) 5_565 . ?
O7 Tb1 Co2 112.13(10) . . ?
O3 Tb1 Co2 32.95(8) . . ?
O4 Tb1 Co2 148.82(8) . . ?
O8 Tb1 Co2 89.72(9) . . ?
O9 Tb1 Co2 35.05(7) . . ?
O9 Tb1 Co2 84.08(7) 5_565 . ?
N7 Tb1 Co2 89.05(10) . . ?
O1 Tb1 Co2 31.47(8) 5_565 5_565 ?
O7 Tb1 Co2 88.73(9) . 5_565 ?
O3 Tb1 Co2 115.70(8) . 5_565 ?
O4 Tb1 Co2 101.18(8) . 5_565 ?
O8 Tb1 Co2 107.76(9) . 5_565 ?
N7 Tb1 Co2 159.89(10) . 5_565 ?
Co2 Tb1 Co2 108.782(14) . 5_565 ?
O1 Tb1 Co1 107.38(8) 5_565 . ?
O7 Tb1 Co1 70.45(8) . . ?
O3 Tb1 Co1 105.50(8) . . ?
O4 Tb1 Co1 30.39(8) . . ?
O8 Tb1 Co1 77.27(9) . . ?
O9 Tb1 Co1 142.42(7) . . ?
O9 Tb1 Co1 143.54(7) 5_565 . ?
N7 Tb1 Co1 33.12(10) . . ?
Co2 Tb1 Co1 121.680(16) . . ?
Co2 Tb1 Co1 129.426(19) 5_565 . ?
O1 Tb1 Tb1 76.80(8) 5_565 5_565 ?
O7 Tb1 Tb1 107.56(8) . 5_565 ?
O3 Tb1 Tb1 70.14(8) . 5_565 ?
O4 Tb1 Tb1 153.73(8) . 5_565 ?
O8 Tb1 Tb1 105.06(9) . 5_565 ?
N7 Tb1 Tb1 142.99(10) . 5_565 ?
Co2 Tb1 Tb1 55.016(12) . 5_565 ?
Co2 Tb1 Tb1 53.766(15) 5_565 5_565 ?
Co1 Tb1 Tb1 175.585(15) . 5_565 ?
N1 C1 C2 122.2(5) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 118.0(5) . . ?
C3 C2 H2 121.0 . . ?
C1 C2 H2 121.0 . . ?
C2 C3 C4 119.6(5) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 120.2(5) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 N1 120.1(5) . . ?
C4 C5 C6 123.0(5) . . ?
N1 C5 C6 116.9(5) . . ?
C5 C6 N3 112.3(4) . . ?
C5 C6 H6A 109.1 . . ?
N3 C6 H6A 109.1 . . ?
C5 C6 H6B 109.1 . . ?
N3 C6 H6B 109.1 . . ?
H6A C6 H6B 107.9 . . ?
N2 C7 C8 121.5(5) . . ?
N2 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C7 C8 C9 118.5(5) . . ?
C7 C8 H8 120.7 . . ?
C9 C8 H8 120.7 . . ?
C10 C9 C8 119.4(5) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 120.5(6) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 N2 121.2(5) . . ?
C10 C11 C12 124.1(5) . . ?
N2 C11 C12 114.7(4) . . ?
C11 C12 N3 108.7(4) . . ?
C11 C12 H12A 109.9 . . ?
N3 C12 H12A 109.9 . . ?
C11 C12 H12B 109.9 . . ?
N3 C12 H12B 109.9 . . ?
H12A C12 H12B 108.3 . . ?
N3 C13 C16 105.0(4) . . ?
N3 C13 C14 114.1(4) . . ?
C16 C13 C14 112.5(4) . . ?
N3 C13 C15 105.5(4) . . ?
C16 C13 C15 107.6(4) . . ?
C14 C13 C15 111.4(4) . . ?
O2 C14 C13 108.6(4) . . ?
O2 C14 H14A 110.0 . . ?
C13 C14 H14A 110.0 . . ?
O2 C14 H14B 110.0 . . ?
C13 C14 H14B 110.0 . . ?
H14A C14 H14B 108.4 . . ?
O3 C15 C13 108.8(4) . . ?
O3 C15 H15A 109.9 . . ?
C13 C15 H15A 109.9 . . ?
O3 C15 H15B 109.9 . . ?
C13 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
O1 C16 C13 106.3(4) . . ?
O1 C16 H16A 110.5 . . ?
C13 C16 H16A 110.5 . . ?
O1 C16 H16B 110.5 . . ?
C13 C16 H16B 110.5 . . ?
H16A C16 H16B 108.7 . . ?
N4 C17 C18 122.6(6) . . ?
N4 C17 H17 118.7 . . ?
C18 C17 H17 118.7 . . ?
C17 C18 C19 119.0(6) . . ?
C17 C18 H18A 120.5 . . ?
C19 C18 H18A 120.5 . . ?
C20 C19 C18 119.5(6) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C21 118.5(6) . . ?
C19 C20 H20 120.7 . . ?
C21 C20 H20 120.7 . . ?
N4 C21 C20 121.5(5) . . ?
N4 C21 C22 116.6(5) . . ?
C20 C21 C22 121.8(5) . . ?
N6 C22 C21 110.0(4) . . ?
N6 C22 H22A 109.7 . . ?
C21 C22 H22A 109.7 . . ?
N6 C22 H22B 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
N5 C23 C24 121.6(6) . . ?
N5 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C23 C24 C25 119.4(6) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C26 C25 C24 119.2(5) . . ?
C26 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C25 C26 C27 118.1(6) . . ?
C25 C26 H26 121.0 . . ?
C27 C26 H26 121.0 . . ?
N5 C27 C26 123.2(5) . . ?
N5 C27 C28 113.8(4) . . ?
C26 C27 C28 123.1(5) . . ?
N6 C28 C27 110.4(4) . . ?
N6 C28 H28A 109.6 . . ?
C27 C28 H28A 109.6 . . ?
N6 C28 H28B 109.6 . . ?
C27 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
O5 C29 C30 115.6(5) . . ?
O5 C29 H29A 108.4 . . ?
C30 C29 H29A 108.4 . . ?
O5 C29 H29B 108.4 . . ?
C30 C29 H29B 108.4 . . ?
H29A C29 H29B 107.4 . . ?
N6 C30 C32 104.1(4) . . ?
N6 C30 C29 114.0(4) . . ?
C32 C30 C29 112.9(5) . . ?
N6 C30 C31 104.8(4) . . ?
C32 C30 C31 109.1(4) . . ?
C29 C30 C31 111.4(5) . . ?
O6 C31 C30 108.6(4) . . ?
O6 C31 H31A 110.0 . . ?
C30 C31 H31A 110.0 . . ?
O6 C31 H31B 110.0 . . ?
C30 C31 H31B 110.0 . . ?
H31A C31 H31B 108.3 . . ?
O4 C32 C30 109.6(4) . . ?
O4 C32 H32A 109.7 . . ?
C30 C32 H32A 109.7 . . ?
O4 C32 H32B 109.7 . . ?
C30 C32 H32B 109.7 . . ?
H32A C32 H32B 108.2 . . ?
O10 C33 O11 124.7(5) . . ?
O10 C33 C34 119.1(5) . . ?
O11 C33 C34 116.1(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C1 N1 C5 119.9(5) . . ?
C1 N1 Co2 128.0(3) . . ?
C5 N1 Co2 111.9(4) . . ?
C7 N2 C11 118.7(4) . . ?
C7 N2 Co2 127.5(3) . . ?
C11 N2 Co2 113.6(3) . . ?
C12 N3 C6 111.7(4) . . ?
C12 N3 C13 114.5(4) . . ?
C6 N3 C13 114.4(4) . . ?
C12 N3 Co2 108.3(3) . . ?
C6 N3 Co2 109.4(3) . . ?
C13 N3 Co2 97.2(3) . . ?
C17 N4 C21 118.8(5) . . ?
C17 N4 Co1 128.1(4) . . ?
C21 N4 Co1 113.1(4) . . ?
C27 N5 C23 118.6(5) . . ?
C27 N5 Co1 113.9(3) . . ?
C23 N5 Co1 127.0(4) . . ?
C28 N6 C30 116.3(4) . . ?
C28 N6 C22 110.9(4) . . ?
C30 N6 C22 113.5(4) . . ?
C28 N6 Co1 108.8(3) . . ?
C30 N6 Co1 97.4(3) . . ?
C22 N6 Co1 108.8(3) . . ?
N8 N7 Co1 115.0(4) . . ?
N8 N7 Tb1 116.2(3) . . ?
Co1 N7 Tb1 99.59(18) . . ?
N9 N8 N7 176.5(6) . . ?
C16 O1 Co2 109.8(3) . . ?
C16 O1 Tb1 137.0(3) . 5_565 ?
Co2 O1 Tb1 109.30(14) . 5_565 ?
C14 O2 H2A 109.5 . . ?
C15 O3 Co2 109.4(3) . . ?
C15 O3 Tb1 137.5(3) . . ?
Co2 O3 Tb1 104.86(14) . . ?
C32 O4 Co1 110.3(3) . . ?
C32 O4 Tb1 128.8(3) . . ?
Co1 O4 Tb1 110.59(15) . . ?
C29 O5 H5 109.5 . . ?
C31 O6 Co1 110.2(3) . . ?
Tb1 O7 H7A 109.3 . . ?
Tb1 O7 H7B 108.9 . . ?
H7A O7 H7B 109.5 . . ?
Tb1 O8 H8A 109.5 . . ?
Co2 O9 Tb1 98.86(13) . . ?
Co2 O9 Tb1 100.18(12) . 5_565 ?
Tb1 O9 Tb1 106.41(11) . 5_565 ?

_refine_diff_density_max         3.652
_refine_diff_density_min         -1.638
_refine_diff_density_rms         0.202



# start Validation Reply Form

_vrf_PLAT420_3                   
;
PROBLEM: D-H  Without Acceptor      O2      --H2A      .     Please Check 
         D-H  Without Acceptor      O5       --H5       .    Please Check
          
RESPONSE: The absence of suitable hydrogen bond interaction in the 
hydroxyl group (O2HA and O5H) of H3L ligand due to the diffraction contribution 
has been filtered out of the structure and there is no guest water molecules
in 3.
;

# end Validation Reply Form
####################################################################### 
# 
# 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 1908067'
loop_
_audit_author_name
_audit_author_address
'Qipeng Li'
;Zhaotong University
China
;
_audit_update_record             
;
2019-07-22 deposited with the CCDC.	2019-07-24 downloaded from the CCDC.
;
_audit_creation_date             2019-07-19
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H82 Co4 Gd2 N18 O18, 2(C2 H3 O2), 20[H2O]'
_chemical_formula_sum            'C68 H88 Co4 Gd2 N18 O22'
_chemical_formula_weight         2059.78
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   32.521(2)
_cell_length_b                   15.1850(5)
_cell_length_c                   24.2071(15)
_cell_angle_alpha                90
_cell_angle_beta                 124.219(2)
_cell_angle_gamma                90
_cell_volume                     9885.0(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10488
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4895
_cell_measurement_theta_min      2.8695
_shelx_estimated_absorpt_T_max   0.657
_shelx_estimated_absorpt_T_min   0.732
_exptl_absorpt_coefficient_mu    2.045
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9012
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'Red Brown'
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Prism
_exptl_crystal_F_000             4136
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            37508
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.480
_diffrn_reflns_theta_min         2.683
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9207
_reflns_number_total             11231
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_collection       'Saint+ ver. V8.34A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. V8.34A (Bruker AXS)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2018)'
_computing_structure_solution    'ShelXL (Sheldrick, 2018)'
_refine_diff_density_max         1.686
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         11231
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0444
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0782P)²+25.2141P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1465
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
O6 \\sim C32: within 2A with sigma of 0.005 and sigma for terminal atoms of 0.01
3.a Riding coordinates:
 O8(H8A,H8B)
3.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C7(H7A,H7B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B),
 C17(H17A,H17B), C23(H23A,H23B), C30(H30A,H30B), C31(H31A,H31B), C32(H32A,H32B)
3.c Me refined with riding coordinates:
 C34(H34A,H34B,H34C)
3.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C19(H19), C20(H20), C21(H21), C22(H22), C25(H25), C26(H26), C27(H27), C28(H28)
3.e Tetrahedral OH refined with riding coordinates:
 O3(H3A), O6(H6A), O9(H9A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Co1 Co 0.68335(2) 0.34155(4) 1.12415(3) 0.04614(16) Uani 1 1 d . . . . .
Co2 Co 0.53606(2) 0.62631(4) 0.95508(3) 0.04100(14) Uani 1 1 d . . . . .
Gd1 Gd 0.56415(2) 0.43733(2) 1.04303(2) 0.03969(9) Uani 1 1 d . . . . .
C1 C 0.7553(2) 0.2195(4) 1.2130(3) 0.0685(15) Uani 1 1 d . . . . .
H1A H 0.761883 0.225095 1.258052 0.082 Uiso 1 1 calc R . . . .
H1B H 0.768012 0.161618 1.210204 0.082 Uiso 1 1 calc R . . . .
C2 C 0.7815(2) 0.2911(4) 1.2024(2) 0.0572(12) Uani 1 1 d . . . . .
C3 C 0.8324(2) 0.2896(5) 1.2321(3) 0.0749(17) Uani 1 1 d . . . . .
H3 H 0.851542 0.240217 1.257799 0.090 Uiso 1 1 calc R . . . .
C4 C 0.8549(2) 0.3598(6) 1.2240(3) 0.0833(19) Uani 1 1 d . . . . .
H4 H 0.889880 0.360223 1.244949 0.100 Uiso 1 1 calc R . . . .
C5 C 0.8262(2) 0.4302(4) 1.1849(4) 0.0729(17) Uani 1 1 d . . . . .
H5 H 0.841188 0.480129 1.179428 0.087 Uiso 1 1 calc R . . . .
C6 C 0.7755(2) 0.4264(4) 1.1541(3) 0.0651(14) Uani 1 1 d . . . . .
H6 H 0.755478 0.473139 1.125362 0.078 Uiso 1 1 calc R . . . .
C7 C 0.6847(2) 0.1607(4) 1.1043(3) 0.0642(14) Uani 1 1 d . . . . .
H7A H 0.707878 0.110035 1.121251 0.077 Uiso 1 1 calc R . . . .
H7B H 0.650900 0.138042 1.086606 0.077 Uiso 1 1 calc R . . . .
C8 C 0.6851(2) 0.2048(4) 1.0504(3) 0.0581(12) Uani 1 1 d . . . . .
C9 C 0.6899(3) 0.1607(4) 1.0047(3) 0.0760(17) Uani 1 1 d . . . . .
H9 H 0.695280 0.098910 1.008183 0.091 Uiso 1 1 calc R . . . .
C10 C 0.6869(3) 0.2073(6) 0.9541(3) 0.090(2) Uani 1 1 d . . . . .
H10 H 0.688482 0.177263 0.920891 0.108 Uiso 1 1 calc R . . . .
C11 C 0.6814(3) 0.2980(5) 0.9510(3) 0.0812(19) Uani 1 1 d . . . . .
H11 H 0.680403 0.331192 0.917005 0.097 Uiso 1 1 calc R . . . .
C12 C 0.6776(2) 0.3391(4) 0.9991(3) 0.0644(14) Uani 1 1 d . . . . .
H12 H 0.673494 0.401200 0.997704 0.077 Uiso 1 1 calc R . . . .
C13 C 0.6679(2) 0.2222(4) 1.1886(3) 0.0563(12) Uani 1 1 d . . . . .
C14 C 0.6860(2) 0.3019(4) 1.2358(3) 0.0628(14) Uani 1 1 d . . . . .
H14A H 0.661706 0.315356 1.246898 0.075 Uiso 1 1 calc R . . . .
H14B H 0.718225 0.287675 1.277801 0.075 Uiso 1 1 calc R . . . .
C15 C 0.6151(2) 0.2432(4) 1.1286(3) 0.0600(13) Uani 1 1 d . . . . .
H15A H 0.600210 0.189938 1.100483 0.072 Uiso 1 1 calc R . . . .
H15B H 0.594179 0.260959 1.144485 0.072 Uiso 1 1 calc R . . . .
C16 C 0.6719(3) 0.1374(4) 1.2254(3) 0.0712(16) Uani 1 1 d . . . . .
H16A H 0.707216 0.127292 1.261681 0.085 Uiso 1 1 calc R . . . .
H16B H 0.653223 0.144974 1.246202 0.085 Uiso 1 1 calc R . . . .
C17 C 0.5503(3) 0.8035(4) 0.9354(3) 0.0726(16) Uani 1 1 d . . . . .
H17A H 0.576246 0.827453 0.930114 0.087 Uiso 1 1 calc R . . . .
H17B H 0.537765 0.852512 0.949013 0.087 Uiso 1 1 calc R . . . .
C18 C 0.5082(2) 0.7668(3) 0.8694(3) 0.0599(13) Uani 1 1 d . . . . .
C19 C 0.4825(3) 0.8191(4) 0.8133(3) 0.0740(17) Uani 1 1 d . . . . .
H19 H 0.490174 0.879799 0.815174 0.089 Uiso 1 1 calc R . . . .
C20 C 0.4448(3) 0.7800(5) 0.7535(3) 0.086(2) Uani 1 1 d . . . . .
H20 H 0.425562 0.814353 0.714064 0.103 Uiso 1 1 calc R . . . .
C21 C 0.4358(2) 0.6920(5) 0.7523(3) 0.0724(16) Uani 1 1 d . . . . .
H21 H 0.410690 0.664676 0.711776 0.087 Uiso 1 1 calc R . . . .
C22 C 0.4631(2) 0.6430(4) 0.8097(2) 0.0564(12) Uani 1 1 d . . . . .
H22 H 0.457086 0.581495 0.807961 0.068 Uiso 1 1 calc R . . . .
C23 C 0.6258(2) 0.7161(4) 1.0126(3) 0.0653(14) Uani 1 1 d . . . . .
H23A H 0.641663 0.770234 1.009995 0.078 Uiso 1 1 calc R . . . .
H23B H 0.644958 0.696097 1.059625 0.078 Uiso 1 1 calc R . . . .
C24 C 0.6259(2) 0.6460(4) 0.9692(3) 0.0601(13) Uani 1 1 d . . . . .
C25 C 0.6638(2) 0.6346(5) 0.9605(4) 0.0783(18) Uani 1 1 d . . . . .
H25 H 0.692016 0.672171 0.982451 0.094 Uiso 1 1 calc R . . . .
C26 C 0.6602(3) 0.5681(5) 0.9195(4) 0.084(2) Uani 1 1 d . . . . .
H26 H 0.686572 0.558032 0.913979 0.101 Uiso 1 1 calc R . . . .
C27 C 0.6188(2) 0.5168(4) 0.8868(3) 0.0659(14) Uani 1 1 d . . . . .
H27 H 0.615712 0.471717 0.857458 0.079 Uiso 1 1 calc R . . . .
C28 C 0.5815(2) 0.5303(4) 0.8964(3) 0.0533(11) Uani 1 1 d . . . . .
H28 H 0.552599 0.494420 0.873264 0.064 Uiso 1 1 calc R . . . .
C29 C 0.56586(18) 0.7486(3) 1.0451(2) 0.0493(11) Uani 1 1 d . . . . .
C30 C 0.5860(2) 0.6630(3) 1.0874(2) 0.0522(11) Uani 1 1 d . . . . .
H30A H 0.622104 0.668857 1.121529 0.063 Uiso 1 1 calc R . . . .
H30B H 0.569232 0.653258 1.110648 0.063 Uiso 1 1 calc R . . . .
C31 C 0.5104(2) 0.7502(3) 1.0116(3) 0.0593(13) Uani 1 1 d . . . . .
H31A H 0.502415 0.752314 1.045485 0.071 Uiso 1 1 calc R . . . .
H31B H 0.495786 0.802712 0.982573 0.071 Uiso 1 1 calc R . . . .
C32 C 0.5911(3) 0.8318(4) 1.0862(3) 0.0724(16) Uani 1 1 d . U . . .
H32A H 0.579955 0.883692 1.056285 0.087 Uiso 1 1 calc R . . . .
H32B H 0.581984 0.841096 1.118463 0.087 Uiso 1 1 calc R . . . .
C33 C 0.5611(2) 0.6080(4) 1.2181(3) 0.0562(12) Uani 1 1 d . . . . .
C34 C 0.5608(3) 0.6781(5) 1.2609(4) 0.085(2) Uani 1 1 d . . . . .
H34A H 0.526857 0.700260 1.240027 0.128 Uiso 1 1 calc R . . . .
H34B H 0.572775 0.653666 1.304954 0.128 Uiso 1 1 calc R . . . .
H34C H 0.582599 0.726413 1.265803 0.128 Uiso 1 1 calc R . . . .
N1 N 0.75339(16) 0.3592(3) 1.1634(2) 0.0549(10) Uani 1 1 d . . . . .
N2 N 0.67943(16) 0.2926(3) 1.0474(2) 0.0538(10) Uani 1 1 d . . . . .
N3 N 0.70008(16) 0.2245(3) 1.1609(2) 0.0515(9) Uani 1 1 d . . . . .
N4 N 0.49800(16) 0.6797(3) 0.8678(2) 0.0508(9) Uani 1 1 d . . . . .
N5 N 0.58510(16) 0.5929(3) 0.9377(2) 0.0498(9) Uani 1 1 d . . . . .
N6 N 0.57279(17) 0.7349(3) 0.9887(2) 0.0519(9) Uani 1 1 d . . . . .
N7 N 0.65742(16) 0.4569(3) 1.0823(2) 0.0505(9) Uani 1 1 d . . . . .
N8 N 0.67958(17) 0.5216(3) 1.1189(2) 0.0606(11) Uani 1 1 d . . . . .
N9 N 0.6979(2) 0.5810(4) 1.1494(4) 0.099(2) Uani 1 1 d . . . . .
O1 O 0.69182(13) 0.3764(2) 1.20558(16) 0.0524(8) Uani 1 1 d . . . . .
O2 O 0.61651(12) 0.3118(2) 1.09032(16) 0.0480(7) Uani 1 1 d . . . . .
O3 O 0.6539(2) 0.0637(3) 1.1846(3) 0.0943(16) Uani 1 1 d . . . . .
H3A H 0.656827 0.019386 1.207297 0.142 Uiso 1 1 calc R . . . .
O4 O 0.57698(12) 0.5902(2) 1.04504(15) 0.0446(7) Uani 1 1 d . . . . .
O5 O 0.49069(12) 0.6720(2) 0.97274(16) 0.0464(7) Uani 1 1 d . . . . .
O6 O 0.6442(2) 0.8217(4) 1.1213(3) 0.1191(19) Uani 1 1 d . U . . .
H6A H 0.658403 0.867223 1.143806 0.179 Uiso 1 1 calc R . . . .
O7 O 0.50122(11) 0.51585(19) 0.94015(14) 0.0415(6) Uani 1 1 d . . . A 2
O8 O 0.60819(13) 0.4616(3) 1.15864(17) 0.0575(8) Uani 1 1 d . . . . .
H8A H 0.615826 0.412194 1.178634 0.086 Uiso 1 1 d R . . . .
H8B H 0.634556 0.490354 1.171504 0.086 Uiso 1 1 d R . . . .
O9 O 0.55993(13) 0.3603(2) 0.95250(17) 0.0553(8) Uani 1 1 d . . . . .
H9A H 0.534900 0.377520 0.915868 0.083 Uiso 1 1 calc R . . . .
O10 O 0.60203(17) 0.5727(3) 1.2380(2) 0.0830(14) Uani 1 1 d . . . . .
O12 O 0.52021(15) 0.5861(3) 1.1655(2) 0.0686(10) Uani 1 1 d . . . B 1


_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
Co1 N1 1.931(4) . ?
Co1 N2 1.937(4) . ?
Co1 N3 1.924(4) . ?
Co1 N7 1.961(4) . ?
Co1 O1 1.905(3) . ?
Co1 O2 1.897(3) . ?
Co2 N4 1.927(4) . ?
Co2 N5 1.932(4) . ?
Co2 N6 1.928(4) . ?
Co2 O4 1.885(3) . ?
Co2 O5 1.885(3) . ?
Co2 O7 1.941(3) . ?
Gd1 N7 2.636(4) . ?
Gd1 O2 2.377(3) . ?
Gd1 O4 2.354(3) . ?
Gd1 O5 2.306(3) 5_667 ?
Gd1 O7 2.466(3) . ?
Gd1 O7 2.483(3) 5_667 ?
Gd1 O8 2.348(3) . ?
Gd1 O9 2.419(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.490(8) . ?
C1 N3 1.507(7) . ?
C2 C3 1.387(8) . ?
C2 N1 1.350(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.367(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(9) . ?
C6 H6 0.9500 . ?
C6 N1 1.337(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.474(8) . ?
C7 N3 1.516(7) . ?
C8 C9 1.375(8) . ?
C8 N2 1.342(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.369(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.386(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.387(8) . ?
C12 H12 0.9500 . ?
C12 N2 1.338(7) . ?
C13 C14 1.535(8) . ?
C13 C15 1.535(7) . ?
C13 C16 1.529(7) . ?
C13 N3 1.527(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 O1 1.416(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 O2 1.412(6) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 O3 1.385(8) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.510(9) . ?
C17 N6 1.491(7) . ?
C18 C19 1.376(8) . ?
C18 N4 1.359(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.399(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.364(10) . ?
C21 H21 0.9500 . ?
C21 C22 1.373(8) . ?
C22 H22 0.9500 . ?
C22 N4 1.335(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.495(8) . ?
C23 N6 1.507(7) . ?
C24 C25 1.373(7) . ?
C24 N5 1.361(7) . ?
C25 H25 0.9500 . ?
C25 C26 1.375(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.359(10) . ?
C27 H27 0.9500 . ?
C27 C28 1.373(7) . ?
C28 H28 0.9500 . ?
C28 N5 1.336(6) . ?
C29 C30 1.552(7) . ?
C29 C31 1.506(7) . ?
C29 C32 1.529(7) . ?
C29 N6 1.519(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 O4 1.422(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 O5 1.423(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 O6 1.442(9) . ?
C33 C34 1.489(7) . ?
C33 O10 1.254(7) . ?
C33 O12 1.262(6) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
N7 N8 1.245(7) . ?
N8 N9 1.105(7) . ?
O3 H3A 0.8400 . ?
O6 H6A 0.8400 . ?
O8 H8A 0.8502 . ?
O8 H8B 0.8504 . ?
O9 H9A 0.8400 . ?

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
N1 Co1 Gd1 147.14(14) . . ?
N1 Co1 N2 87.02(18) . . ?
N1 Co1 N7 100.14(19) . . ?
N2 Co1 Gd1 99.51(12) . . ?
N2 Co1 N7 94.04(18) . . ?
N3 Co1 Gd1 125.08(13) . . ?
N3 Co1 N1 87.25(19) . . ?
N3 Co1 N2 86.47(18) . . ?
N3 Co1 N7 172.60(19) . . ?
N7 Co1 Gd1 47.55(13) . . ?
O1 Co1 Gd1 86.31(10) . . ?
O1 Co1 N1 90.49(16) . . ?
O1 Co1 N2 172.65(17) . . ?
O1 Co1 N3 86.50(16) . . ?
O1 Co1 N7 93.21(16) . . ?
O2 Co1 Gd1 39.07(10) . . ?
O2 Co1 N1 173.63(17) . . ?
O2 Co1 N2 93.05(16) . . ?
O2 Co1 N3 86.40(16) . . ?
O2 Co1 N7 86.21(16) . . ?
O2 Co1 O1 88.66(15) . . ?
Gd1 Co2 Gd1 70.969(13) . 5_667 ?
N4 Co2 Gd1 95.98(13) . 5_667 ?
N4 Co2 Gd1 145.86(13) . . ?
N4 Co2 N5 88.36(18) . . ?
N4 Co2 N6 88.08(18) . . ?
N4 Co2 O7 102.22(16) . . ?
N5 Co2 Gd1 146.86(13) . 5_667 ?
N5 Co2 Gd1 87.17(12) . . ?
N5 Co2 O7 101.52(15) . . ?
N6 Co2 Gd1 127.17(12) . 5_667 ?
N6 Co2 Gd1 125.23(13) . . ?
N6 Co2 N5 85.71(18) . . ?
N6 Co2 O7 167.47(15) . . ?
O4 Co2 Gd1 87.78(10) . 5_667 ?
O4 Co2 Gd1 42.25(10) . . ?
O4 Co2 N4 171.88(16) . . ?
O4 Co2 N5 92.43(16) . . ?
O4 Co2 N6 83.92(16) . . ?
O4 Co2 O7 85.55(13) . . ?
O5 Co2 Gd1 39.50(9) . 5_667 ?
O5 Co2 Gd1 97.97(10) . . ?
O5 Co2 N4 89.53(16) . . ?
O5 Co2 N5 173.54(16) . . ?
O5 Co2 N6 88.12(16) . . ?
O5 Co2 O4 88.81(14) . . ?
O5 Co2 O7 84.89(13) . . ?
O7 Co2 Gd1 46.05(9) . . ?
Co1 Gd1 Gd1 175.520(15) . 5_667 ?
Co2 Gd1 Co1 121.610(16) . . ?
Co2 Gd1 Co1 129.242(16) 5_667 . ?
Co2 Gd1 Co2 109.031(13) . 5_667 ?
Co2 Gd1 Gd1 53.978(12) 5_667 5_667 ?
Co2 Gd1 Gd1 55.053(11) . 5_667 ?
N7 Gd1 Co1 33.29(9) . . ?
N7 Gd1 Co2 159.67(9) . 5_667 ?
N7 Gd1 Co2 88.86(9) . . ?
N7 Gd1 Gd1 142.75(9) . 5_667 ?
O2 Gd1 Co1 30.20(8) . . ?
O2 Gd1 Co2 148.33(8) . . ?
O2 Gd1 Co2 101.35(8) . 5_667 ?
O2 Gd1 Gd1 154.00(8) . 5_667 ?
O2 Gd1 N7 63.21(12) . . ?
O2 Gd1 O7 126.74(10) . 5_667 ?
O2 Gd1 O7 146.83(10) . . ?
O2 Gd1 O9 73.08(11) . . ?
O4 Gd1 Co1 105.58(8) . . ?
O4 Gd1 Co2 32.59(8) . . ?
O4 Gd1 Co2 115.91(8) . 5_667 ?
O4 Gd1 Gd1 70.00(8) . 5_667 ?
O4 Gd1 N7 74.14(12) . . ?
O4 Gd1 O2 135.23(11) . . ?
O4 Gd1 O7 82.67(10) . 5_667 ?
O4 Gd1 O7 65.22(10) . . ?
O4 Gd1 O9 114.49(12) . . ?
O5 Gd1 Co1 107.51(8) 5_667 . ?
O5 Gd1 Co2 31.32(7) 5_667 5_667 ?
O5 Gd1 Co2 126.68(8) 5_667 . ?
O5 Gd1 Gd1 76.72(8) 5_667 5_667 ?
O5 Gd1 N7 140.07(12) 5_667 . ?
O5 Gd1 O2 77.31(11) 5_667 . ?
O5 Gd1 O4 145.59(11) 5_667 . ?
O5 Gd1 O7 93.19(11) 5_667 . ?
O5 Gd1 O7 65.13(10) 5_667 5_667 ?
O5 Gd1 O8 101.93(13) 5_667 . ?
O5 Gd1 O9 81.79(12) 5_667 . ?
O7 Gd1 Co1 142.18(7) . . ?
O7 Gd1 Co1 143.25(7) 5_667 . ?
O7 Gd1 Co2 34.52(7) . . ?
O7 Gd1 Co2 84.67(7) 5_667 . ?
O7 Gd1 N7 145.71(12) 5_667 . ?
O7 Gd1 N7 116.30(11) . . ?
O7 Gd1 O7 74.11(11) . 5_667 ?
O8 Gd1 Co1 70.02(9) . . ?
O8 Gd1 Co2 112.68(10) . . ?
O8 Gd1 Co2 88.59(10) . 5_667 ?
O8 Gd1 Gd1 107.97(9) . 5_667 ?
O8 Gd1 N7 75.25(13) . . ?
O8 Gd1 O2 76.12(12) . . ?
O8 Gd1 O4 80.71(12) . . ?
O8 Gd1 O7 137.02(11) . . ?
O8 Gd1 O7 76.36(11) . 5_667 ?
O8 Gd1 O9 147.31(12) . . ?
O9 Gd1 Co1 77.85(8) . . ?
O9 Gd1 Co2 107.83(9) . 5_667 ?
O9 Gd1 Co2 88.99(9) . . ?
O9 Gd1 Gd1 104.50(8) . 5_667 ?
O9 Gd1 N7 81.31(13) . . ?
O9 Gd1 O7 74.15(10) . . ?
O9 Gd1 O7 132.02(11) . 5_667 ?
H1A C1 H1B 108.1 . . ?
C2 C1 H1A 109.6 . . ?
C2 C1 H1B 109.6 . . ?
C2 C1 N3 110.3(4) . . ?
N3 C1 H1A 109.6 . . ?
N3 C1 H1B 109.6 . . ?
C3 C2 C1 122.1(5) . . ?
N1 C2 C1 116.9(5) . . ?
N1 C2 C3 121.0(6) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.5(6) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(6) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 120.7 . . ?
C6 C5 C4 118.6(6) . . ?
C6 C5 H5 120.7 . . ?
C5 C6 H6 118.9 . . ?
N1 C6 C5 122.3(6) . . ?
N1 C6 H6 118.9 . . ?
H7A C7 H7B 108.1 . . ?
C8 C7 H7A 109.6 . . ?
C8 C7 H7B 109.6 . . ?
C8 C7 N3 110.3(5) . . ?
N3 C7 H7A 109.6 . . ?
N3 C7 H7B 109.6 . . ?
C9 C8 C7 123.6(6) . . ?
N2 C8 C7 115.4(5) . . ?
N2 C8 C9 121.0(5) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 C8 119.0(6) . . ?
C10 C9 H9 120.5 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.2(6) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 120.9 . . ?
C10 C11 C12 118.2(6) . . ?
C12 C11 H11 120.9 . . ?
C11 C12 H12 119.5 . . ?
N2 C12 C11 121.0(6) . . ?
N2 C12 H12 119.5 . . ?
C15 C13 C14 107.3(4) . . ?
C16 C13 C14 111.1(5) . . ?
C16 C13 C15 114.2(5) . . ?
N3 C13 C14 103.7(4) . . ?
N3 C13 C15 104.9(4) . . ?
N3 C13 C16 114.8(4) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
O1 C14 C13 110.7(4) . . ?
O1 C14 H14A 109.5 . . ?
O1 C14 H14B 109.5 . . ?
C13 C15 H15A 109.6 . . ?
C13 C15 H15B 109.6 . . ?
H15A C15 H15B 108.2 . . ?
O2 C15 C13 110.1(4) . . ?
O2 C15 H15A 109.6 . . ?
O2 C15 H15B 109.6 . . ?
C13 C16 H16A 108.8 . . ?
C13 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
O3 C16 C13 113.7(5) . . ?
O3 C16 H16A 108.8 . . ?
O3 C16 H16B 108.8 . . ?
H17A C17 H17B 107.9 . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
N6 C17 H17A 109.3 . . ?
N6 C17 H17B 109.3 . . ?
N6 C17 C18 111.7(4) . . ?
C19 C18 C17 121.2(5) . . ?
N4 C18 C17 116.8(5) . . ?
N4 C18 C19 122.0(6) . . ?
C18 C19 H19 121.0 . . ?
C18 C19 C20 118.0(6) . . ?
C20 C19 H19 121.0 . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.3(6) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(6) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 119.3 . . ?
N4 C22 C21 121.5(6) . . ?
N4 C22 H22 119.3 . . ?
H23A C23 H23B 108.4 . . ?
C24 C23 H23A 110.0 . . ?
C24 C23 H23B 110.0 . . ?
C24 C23 N6 108.6(4) . . ?
N6 C23 H23A 110.0 . . ?
N6 C23 H23B 110.0 . . ?
C25 C24 C23 123.5(5) . . ?
N5 C24 C23 115.5(4) . . ?
N5 C24 C25 121.0(5) . . ?
C24 C25 H25 120.5 . . ?
C24 C25 C26 119.1(6) . . ?
C26 C25 H25 120.5 . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.6(6) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 120.1 . . ?
C26 C27 C28 119.8(6) . . ?
C28 C27 H27 120.1 . . ?
C27 C28 H28 119.4 . . ?
N5 C28 C27 121.3(5) . . ?
N5 C28 H28 119.4 . . ?
C31 C29 C30 107.5(4) . . ?
C31 C29 C32 112.3(4) . . ?
C31 C29 N6 104.8(4) . . ?
C32 C29 C30 113.0(4) . . ?
N6 C29 C30 104.9(4) . . ?
N6 C29 C32 113.6(4) . . ?
C29 C30 H30A 109.7 . . ?
C29 C30 H30B 109.7 . . ?
H30A C30 H30B 108.2 . . ?
O4 C30 C29 109.7(4) . . ?
O4 C30 H30A 109.7 . . ?
O4 C30 H30B 109.7 . . ?
C29 C31 H31A 110.2 . . ?
C29 C31 H31B 110.2 . . ?
H31A C31 H31B 108.5 . . ?
O5 C31 C29 107.5(4) . . ?
O5 C31 H31A 110.2 . . ?
O5 C31 H31B 110.2 . . ?
C29 C32 H32A 109.9 . . ?
C29 C32 H32B 109.9 . . ?
H32A C32 H32B 108.3 . . ?
O6 C32 C29 108.8(5) . . ?
O6 C32 H32A 109.9 . . ?
O6 C32 H32B 109.9 . . ?
O10 C33 C34 117.3(5) . . ?
O10 C33 O12 124.3(5) . . ?
O12 C33 C34 118.3(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C2 N1 Co1 112.6(4) . . ?
C6 N1 Co1 128.3(4) . . ?
C6 N1 C2 119.1(5) . . ?
C8 N2 Co1 113.4(3) . . ?
C12 N2 Co1 125.6(4) . . ?
C12 N2 C8 120.5(5) . . ?
C1 N3 Co1 109.1(4) . . ?
C1 N3 C7 110.8(4) . . ?
C1 N3 C13 114.8(4) . . ?
C7 N3 Co1 108.0(3) . . ?
C7 N3 C13 115.0(4) . . ?
C13 N3 Co1 98.0(3) . . ?
C18 N4 Co2 112.5(4) . . ?
C22 N4 Co2 128.4(4) . . ?
C22 N4 C18 119.1(5) . . ?
C24 N5 Co2 112.7(3) . . ?
C28 N5 Co2 127.9(4) . . ?
C28 N5 C24 119.2(4) . . ?
C17 N6 Co2 110.3(3) . . ?
C17 N6 C23 111.2(4) . . ?
C17 N6 C29 115.8(4) . . ?
C23 N6 Co2 107.7(3) . . ?
C23 N6 C29 113.5(4) . . ?
C29 N6 Co2 97.3(3) . . ?
Co1 N7 Gd1 99.16(17) . . ?
N8 N7 Co1 115.4(3) . . ?
N8 N7 Gd1 115.8(3) . . ?
N9 N8 N7 177.3(7) . . ?
C14 O1 Co1 109.1(3) . . ?
Co1 O2 Gd1 110.73(14) . . ?
C15 O2 Co1 110.1(3) . . ?
C15 O2 Gd1 129.0(3) . . ?
C16 O3 H3A 109.5 . . ?
Co2 O4 Gd1 105.16(13) . . ?
C30 O4 Co2 109.4(3) . . ?
C30 O4 Gd1 138.1(3) . . ?
Co2 O5 Gd1 109.18(13) . 5_667 ?
C31 O5 Co2 109.8(3) . . ?
C31 O5 Gd1 136.7(3) . 5_667 ?
C32 O6 H6A 109.5 . . ?
Co2 O7 Gd1 100.72(12) . 5_667 ?
Co2 O7 Gd1 99.43(12) . . ?
Gd1 O7 Gd1 105.89(11) . 5_667 ?
Gd1 O8 H8A 109.1 . . ?
Gd1 O8 H8B 109.3 . . ?
H8A O8 H8B 109.5 . . ?
Gd1 O9 H9A 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form

_vrf_PLAT420_2                   
;
PROBLEM: D-H Without Acceptor       O3       --H3A      .     Please Check 
         D-H Without Acceptor       O6       --H6A      .     Please Check 

RESPONSE: The absence of suitable hydrogen bond interaction in the 
hydroxyl group (O3HA and O6HA) of H3L ligand due to the diffraction contribution 
has been filtered out of the structure and there is no guest water molecules
in 2.
;

# end Validation Reply Form
