# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_co-dy
_database_code_depnum_ccdc_archive 'CCDC 2040867'
loop_
_audit_author_name
_audit_author_address
'Li menghua'
;Fuzhou University
China
;
_audit_update_record             
;
2021-03-10 deposited with the CCDC.	2021-03-11 downloaded from the CCDC.
;
_audit_creation_date             2021-03-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H21.058 Co Dy N8 O8, 4(H2 O), 2(H2 O0.5)'
_chemical_formula_sum            'C20 H33.06 Co Dy N8 O13'
_chemical_formula_weight         815.03
_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'
Dy Dy -0.1892 4.4098 '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                   19.882(3)
_cell_length_b                   8.0889(7)
_cell_length_c                   20.090(2)
_cell_angle_alpha                90
_cell_angle_beta                 108.912(14)
_cell_angle_gamma                90
_cell_volume                     3056.5(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2003
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.1730
_cell_measurement_theta_min      2.1540
_shelx_estimated_absorpt_T_max   0.712
_shelx_estimated_absorpt_T_min   0.581
_exptl_absorpt_coefficient_mu    3.041
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.771
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1624
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   0.694
_exptl_transmission_factor_min   0.539
_diffrn_reflns_av_R_equivalents  0.0915
_diffrn_reflns_av_unetI/netI     0.1217
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.834
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11720
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.834
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.472
_diffrn_reflns_theta_min         2.143
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku Saturn724+'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.834
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  Rigaku_AFC12K_724P_007HF_Mo
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'Rotating Anode'
_diffrn_source_voltage           50.0
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2320
_reflns_number_total             3540
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)
;
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.101
_refine_diff_density_min         -1.493
_refine_diff_density_rms         0.175
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         3540
_refine_ls_number_restraints     167
_refine_ls_R_factor_all          0.1035
_refine_ls_R_factor_gt           0.0555
_refine_ls_restrained_S_all      0.993
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0538P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1207
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 H00p-O00M
 0.84 with sigma of 0.01
 O00M-H00q
 0.84 with sigma of 0.01
 H00q-O00M
 0.84 with sigma of 0.01
 H00p-H00q
 1.34 with sigma of 0.04
 N008-C00K \\sim N0-C00K \\sim N008-C00H \\sim N0-C2 \\sim C00H-C00G \\sim
C2-C1 \\sim C00G-C00E \\sim C1-
 C00F \\sim C00L-C00E \\sim C00M-C00F \\sim C00L-C00J \\sim C3-C00M \\sim
N008-C00J \\sim N0-C3
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(N008) \\sim Ueq, Uanis(C00E) \\sim Ueq, Uanis(C00G) \\sim Ueq,
Uanis(C00H) \\sim Ueq, Uanis(C00J) \\sim Ueq, Uanis(C00L) \\sim Ueq, Uanis(N0)
\\sim Ueq, Uanis(C00F) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq,
Uanis(C3) \\sim Ueq, Uanis(C00M) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Others
 Sof(C3)=Sof(H3)=Sof(C00M)=Sof(H00M)=Sof(C00F)=Sof(H00i)=Sof(H00k)=Sof(N0)=
 Sof(C1)=Sof(H1a)=Sof(H1b)=Sof(C2)=Sof(H2)=1-FVAR(1)
 Sof(C00H)=Sof(H00H)=Sof(N008)=Sof(C00J)=Sof(H00J)=Sof(C00L)=Sof(H00L)=
 Sof(C00E)=Sof(C00G)=Sof(H00G)=Sof(H00e)=Sof(H00f)=FVAR(1)
 Fixed Sof: O00M(0.5) O1(0.5) H1c(0.5) H1d(0.5) O2(0.5) H2a(0.5) H2b(0.5)
5.a Free rotating group:
 O00A(H00n,H00o), O1(H1c,H1d), O2(H2a,H2b)
5.b Rotating group:
 O003(H00a,H00b), O005(H00c,H00d)
5.c Secondary CH2 refined with riding coordinates:
 C00K(H00e,H00f), C00K(H00i,H00k), C1(H1a,H1b)
5.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C00M(H00M), C00H(H00H), C00J(H00J), C00L(H00L), C00G(H00G), C2(H2)
5.e Fitted hexagon refined as free rotating group:
 C00H(N008,C00J,C00L,C00E,C00G)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Dy01 Dy 0.500000 0.78600(5) 0.750000 0.03154(18) Uani 1 2 d S T P . .
Co02 Co 0.500000 0.500000 0.500000 0.0276(3) Uani 1 2 d S . P . .
O003 O 0.4190(3) 0.5610(7) 0.7250(3) 0.0556(13) Uani 1 1 d . . . . .
H00A H 0.401787 0.549984 0.758438 0.083 Uiso 1 1 d R U . . .
H00B H 0.441469 0.471480 0.725301 0.083 Uiso 1 1 d R U . . .
O004 O 0.6638(3) 1.1090(7) 0.7265(3) 0.0675(16) Uani 1 1 d . . . . .
O005 O 0.5415(4) 0.9984(6) 0.8341(3) 0.0649(17) Uani 1 1 d . . . . .
H00C H 0.506221 1.054793 0.837615 0.097 Uiso 1 1 d R U . . .
H00D H 0.565562 1.068398 0.818867 0.097 Uiso 1 1 d R U . . .
N006 N 0.4926(3) 0.6704(7) 0.6320(3) 0.0402(14) Uani 1 1 d . . . . .
C007 C 0.5106(4) 0.2933(8) 0.5470(3) 0.0336(15) Uani 1 1 d . . . . .
C3 C 0.7447(9) 1.093(3) 0.6376(10) 0.042(5) Uani 0.53(4) 1 d D U P A 2
H3 H 0.768340 1.090153 0.685873 0.051 Uiso 0.53(4) 1 calc R U P A 2
C00M C 0.7697(10) 1.193(3) 0.5961(9) 0.043(5) Uani 0.53(4) 1 d D U P A 2
H00M H 0.811182 1.253494 0.616547 0.052 Uiso 0.53(4) 1 calc R U P A 2
C00F C 0.7354(9) 1.208(3) 0.5251(10) 0.026(5) Uani 0.53(4) 1 d D U P A 2
C00H C 0.6345(9) 1.037(3) 0.5304(10) 0.039(8) Uani 0.47(4) 1 d DG U P A 1
H00H H 0.587191 1.004477 0.512164 0.047 Uiso 0.47(4) 1 calc R U P A 1
N008 N 0.6750(10) 0.990(2) 0.5981(10) 0.039(7) Uani 0.47(4) 1 d DG U P A 1
C00J C 0.7458(9) 1.038(3) 0.6254(10) 0.043(6) Uani 0.47(4) 1 d DG U P A 1
H00J H 0.772885 1.006374 0.670636 0.052 Uiso 0.47(4) 1 calc R U P A 1
C00L C 0.7761(8) 1.133(4) 0.5850(11) 0.046(7) Uani 0.47(4) 1 d DG U P A 1
H00L H 0.823395 1.165569 0.603226 0.055 Uiso 0.47(4) 1 calc R U P A 1
C00E C 0.7356(10) 1.180(3) 0.5173(10) 0.037(9) Uani 0.47(4) 1 d DG U P A 1
C00G C 0.6648(10) 1.132(3) 0.4900(8) 0.040(9) Uani 0.47(4) 1 d DG U P A 1
H00G H 0.637703 1.163676 0.444753 0.049 Uiso 0.47(4) 1 calc R U P A 1
N009 N 0.5142(4) 0.1694(8) 0.5744(4) 0.0545(18) Uani 1 1 d . . . . .
O00A O 0.3332(4) 0.4472(8) 0.7987(3) 0.0724(17) Uani 1 1 d G . . . .
H00N H 0.320153 0.477450 0.833118 0.109 Uiso 1 1 d G U . . .
H00O H 0.317384 0.349307 0.789700 0.109 Uiso 1 1 d G U . . .
C00B C 0.4952(3) 0.6060(7) 0.5824(3) 0.0303(15) Uani 1 1 d . . . . .
O00C O 0.6057(3) 0.8832(7) 0.7388(3) 0.0700(17) Uani 1 1 d . . . . .
C00D C 0.6000(5) 0.5319(8) 0.5297(4) 0.0406(18) Uani 1 1 d . . . . .
N00F N 0.6606(4) 0.5523(9) 0.5485(4) 0.0591(18) Uani 1 1 d . . . . .
C00I C 0.6393(4) 0.9682(10) 0.7089(4) 0.051(2) Uani 1 1 d . . . . .
C00K C 0.6537(5) 0.8877(9) 0.6462(5) 0.064(2) Uani 1 1 d D . . . .
H00E H 0.690429 0.805033 0.664494 0.077 Uiso 0.47(4) 1 calc R U P A 1
H00F H 0.610906 0.829441 0.619311 0.077 Uiso 0.47(4) 1 calc R U P A 1
H00I H 0.684484 0.792807 0.662545 0.077 Uiso 0.53(4) 1 calc R U P A 2
H00K H 0.609191 0.848194 0.613504 0.077 Uiso 0.53(4) 1 calc R U P A 2
O00M O 0.3823(9) 0.2595(14) 0.6690(9) 0.071(4) Uani 0.5 1 d D . P . .
N0 N 0.6863(12) 0.998(2) 0.6100(11) 0.043(7) Uani 0.53(4) 1 d D U P A 2
C1 C 0.6736(12) 1.116(3) 0.4994(11) 0.037(7) Uani 0.53(4) 1 d D U P A 2
H1A H 0.635601 1.193260 0.477661 0.044 Uiso 0.53(4) 1 calc R U P A 2
H1B H 0.678987 1.047221 0.461812 0.044 Uiso 0.53(4) 1 calc R U P A 2
C2 C 0.6494(13) 1.015(3) 0.5411(11) 0.032(5) Uani 0.53(4) 1 d D U P A 2
H2 H 0.607058 0.956867 0.521803 0.038 Uiso 0.53(4) 1 calc R U P A 2
H00P H 0.411(6) 0.317(12) 0.701(3) 0.16(6) Uiso 1 1 d D . . . .
H00Q H 0.384(3) 0.319(6) 0.635(2) 0.025(19) Uiso 1 1 d D . . . .
O1 O 0.2781(9) 0.254(2) 0.5486(9) 0.095(4) Uani 0.5 1 d G . P . .
H1C H 0.266464 0.315223 0.507288 0.142 Uiso 0.5 1 d G U P . .
H1D H 0.241085 0.197509 0.544837 0.142 Uiso 0.5 1 d G U P . .
O2 O 0.3064(9) 0.129(3) 0.6309(9) 0.114(5) Uani 0.5 1 d G . P . .
H2A H 0.310297 0.130178 0.674295 0.171 Uiso 0.5 1 d G U P . .
H2B H 0.261799 0.127982 0.609643 0.171 Uiso 0.5 1 d G U P . .


_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
Dy01 O003 2.374(5) 2_656 ?
Dy01 O003 2.374(5) . ?
Dy01 O005 2.363(5) . ?
Dy01 O005 2.363(5) 2_656 ?
Dy01 N006 2.508(6) 2_656 ?
Dy01 N006 2.508(6) . ?
Dy01 O00C 2.322(5) . ?
Dy01 O00C 2.322(5) 2_656 ?
Co02 C007 1.899(7) . ?
Co02 C007 1.899(7) 5_666 ?
Co02 C00B 1.894(6) . ?
Co02 C00B 1.894(6) 5_666 ?
Co02 C00D 1.899(9) 5_666 ?
Co02 C00D 1.899(9) . ?
O003 H00A 0.8504 . ?
O003 H00B 0.8506 . ?
O004 C00I 1.244(9) . ?
O005 H00C 0.8594 . ?
O005 H00D 0.8587 . ?
N006 C00B 1.140(8) . ?
C007 N009 1.133(8) . ?
C3 H3 0.9300 . ?
C3 C00M 1.368(12) . ?
C3 N0 1.353(13) . ?
C00M H00M 0.9300 . ?
C00M C00F 1.372(12) . ?
C00F C00F 1.48(3) 7_676 ?
C00F C1 1.386(12) . ?
C00H H00H 0.9300 . ?
C00H N008 1.3900 . ?
C00H C00G 1.3900 . ?
N008 C00J 1.3900 . ?
N008 C00K 1.435(11) . ?
C00J H00J 0.9300 . ?
C00J C00L 1.3900 . ?
C00L H00L 0.9300 . ?
C00L C00E 1.3900 . ?
C00E C00E 1.53(2) 7_676 ?
C00E C00G 1.3900 . ?
C00G H00G 0.9300 . ?
O00A H00N 0.8498 . ?
O00A H00O 0.8500 . ?
O00C C00I 1.242(9) . ?
C00D N00F 1.151(9) . ?
C00I C00K 1.525(11) . ?
C00K H00E 0.9700 . ?
C00K H00F 0.9700 . ?
C00K H00I 0.9700 . ?
C00K H00K 0.9700 . ?
C00K N0 1.432(11) . ?
O00M H00P 0.847(11) . ?
O00M H00Q 0.848(7) . ?
N0 C2 1.347(13) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.364(12) . ?
C2 H2 0.9300 . ?
O1 H1C 0.9277 . ?
O1 H1D 0.8493 . ?
O2 H2A 0.8499 . ?
O2 H2B 0.8499 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O003 Dy01 O003 79.9(3) . 2_656 ?
O003 Dy01 N006 75.03(18) . 2_656 ?
O003 Dy01 N006 71.73(18) . . ?
O003 Dy01 N006 71.73(18) 2_656 2_656 ?
O003 Dy01 N006 75.03(18) 2_656 . ?
O005 Dy01 O003 110.5(2) 2_656 . ?
O005 Dy01 O003 139.8(2) . . ?
O005 Dy01 O003 110.5(2) . 2_656 ?
O005 Dy01 O003 139.85(19) 2_656 2_656 ?
O005 Dy01 O005 86.7(3) 2_656 . ?
O005 Dy01 N006 147.87(19) 2_656 2_656 ?
O005 Dy01 N006 72.26(18) . 2_656 ?
O005 Dy01 N006 72.26(18) 2_656 . ?
O005 Dy01 N006 147.88(19) . . ?
N006 Dy01 N006 136.2(2) . 2_656 ?
O00C Dy01 O003 144.4(2) . . ?
O00C Dy01 O003 72.9(2) 2_656 . ?
O00C Dy01 O003 72.9(2) . 2_656 ?
O00C Dy01 O003 144.4(2) 2_656 2_656 ?
O00C Dy01 O005 72.9(2) . . ?
O00C Dy01 O005 72.9(2) 2_656 2_656 ?
O00C Dy01 O005 78.6(2) . 2_656 ?
O00C Dy01 O005 78.6(2) 2_656 . ?
O00C Dy01 N006 116.1(2) 2_656 . ?
O00C Dy01 N006 79.21(19) . . ?
O00C Dy01 N006 79.21(19) 2_656 2_656 ?
O00C Dy01 N006 116.1(2) . 2_656 ?
O00C Dy01 O00C 140.4(3) 2_656 . ?
C007 Co02 C007 180.0 5_666 . ?
C007 Co02 C00D 91.6(3) . . ?
C007 Co02 C00D 88.4(3) . 5_666 ?
C007 Co02 C00D 91.6(3) 5_666 5_666 ?
C007 Co02 C00D 88.4(3) 5_666 . ?
C00B Co02 C007 89.6(3) 5_666 5_666 ?
C00B Co02 C007 90.4(3) 5_666 . ?
C00B Co02 C007 89.6(3) . . ?
C00B Co02 C007 90.4(3) . 5_666 ?
C00B Co02 C00B 180.00(18) 5_666 . ?
C00B Co02 C00D 89.5(3) . 5_666 ?
C00B Co02 C00D 90.5(3) . . ?
C00B Co02 C00D 90.5(3) 5_666 5_666 ?
C00B Co02 C00D 89.5(3) 5_666 . ?
C00D Co02 C00D 180.0 5_666 . ?
Dy01 O003 H00A 109.4 . . ?
Dy01 O003 H00B 109.4 . . ?
H00A O003 H00B 104.5 . . ?
Dy01 O005 H00C 109.8 . . ?
Dy01 O005 H00D 109.3 . . ?
H00C O005 H00D 104.0 . . ?
C00B N006 Dy01 172.3(5) . . ?
N009 C007 Co02 177.4(6) . . ?
C00M C3 H3 119.3 . . ?
N0 C3 H3 119.3 . . ?
N0 C3 C00M 121.3(14) . . ?
C3 C00M H00M 119.1 . . ?
C3 C00M C00F 121.8(14) . . ?
C00F C00M H00M 119.1 . . ?
C00M C00F C1 115.1(14) . . ?
N008 C00H H00H 120.0 . . ?
N008 C00H C00G 120.0 . . ?
C00G C00H H00H 120.0 . . ?
C00H N008 C00K 127.8(14) . . ?
C00J N008 C00H 120.0 . . ?
C00J N008 C00K 112.2(14) . . ?
N008 C00J H00J 120.0 . . ?
C00L C00J N008 120.0 . . ?
C00L C00J H00J 120.0 . . ?
C00J C00L H00L 120.0 . . ?
C00E C00L C00J 120.0 . . ?
C00E C00L H00L 120.0 . . ?
C00L C00E C00E 118(2) . 7_676 ?
C00L C00E C00G 120.0 . . ?
C00G C00E C00E 121(2) . 7_676 ?
C00H C00G H00G 120.0 . . ?
C00E C00G C00H 120.0 . . ?
C00E C00G H00G 120.0 . . ?
H00N O00A H00O 104.5 . . ?
N006 C00B Co02 179.6(7) . . ?
C00I O00C Dy01 151.6(6) . . ?
N00F C00D Co02 179.1(6) . . ?
O004 C00I C00K 117.7(7) . . ?
O00C C00I O004 126.2(8) . . ?
O00C C00I C00K 116.0(7) . . ?
N008 C00K C00I 119.1(11) . . ?
N008 C00K H00E 107.5 . . ?
N008 C00K H00F 107.5 . . ?
C00I C00K H00E 107.5 . . ?
C00I C00K H00F 107.5 . . ?
C00I C00K H00I 109.0 . . ?
C00I C00K H00K 109.0 . . ?
H00E C00K H00F 107.0 . . ?
H00I C00K H00K 107.8 . . ?
N0 C00K C00I 113.0(11) . . ?
N0 C00K H00I 109.0 . . ?
N0 C00K H00K 109.0 . . ?
H00P O00M H00Q 97(4) . . ?
C3 N0 C00K 127.9(18) . . ?
C2 N0 C3 118.3(12) . . ?
C2 N0 C00K 113.5(16) . . ?
C00F C1 H1A 106.7 . . ?
C00F C1 H1B 106.7 . . ?
H1A C1 H1B 106.6 . . ?
C2 C1 C00F 122.7(16) . . ?
C2 C1 H1A 106.7 . . ?
C2 C1 H1B 106.7 . . ?
N0 C2 C1 120.5(14) . . ?
N0 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
H1C O1 H1D 104.5 . . ?
H2A O2 H2B 104.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Dy01 O00C C00I O004 96.8(13) . . . . ?
Dy01 O00C C00I C00K -85.7(13) . . . . ?
O004 C00I C00K N008 -18.4(15) . . . . ?
O004 C00I C00K N0 -8.0(15) . . . . ?
C3 C00M C00F C00F -170(3) . . . 7_676 ?
C3 C00M C00F C1 1(3) . . . . ?
C3 N0 C2 C1 5(3) . . . . ?
C00M C3 N0 C00K -179.8(19) . . . . ?
C00M C3 N0 C2 -6(3) . . . . ?
C00M C00F C1 C2 -2(3) . . . . ?
C00F C00F C1 C2 170(3) 7_676 . . . ?
C00F C1 C2 N0 -1(3) . . . . ?
C00H N008 C00J C00L 0.0 . . . . ?
C00H N008 C00K C00I -105.8(18) . . . . ?
N008 C00H C00G C00E 0.0 . . . . ?
N008 C00J C00L C00E 0.0 . . . . ?
C00J N008 C00K C00I 76.3(17) . . . . ?
C00J C00L C00E C00E 165(4) . . . 7_676 ?
C00J C00L C00E C00G 0.0 . . . . ?
C00L C00E C00G C00H 0.0 . . . . ?
C00E C00E C00G C00H -164(4) 7_676 . . . ?
C00G C00H N008 C00J 0.0 . . . . ?
C00G C00H N008 C00K -178(2) . . . . ?
O00C C00I C00K N008 163.8(12) . . . . ?
O00C C00I C00K N0 174.2(13) . . . . ?
C00I C00K N0 C3 51(3) . . . . ?
C00I C00K N0 C2 -123.3(16) . . . . ?
C00K N008 C00J C00L 178.1(18) . . . . ?
C00K N0 C2 C1 180(2) . . . . ?
N0 C3 C00M C00F 3(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT417_co-dy               
;
PROBLEM: hort Inter D-H..H-D       H00B     ..H00P     .       1.41 Ang.        
RESPONSE: This  alert  is  related  to  the  hydrogen  atoms  of lattice
water molecules.  It  is  very  difficult  to  locate  hydrogen  atoms  accurately
using  X-ray  data because  these  atoms  have  low  scattering  power.
;
####################################################################### 
# 
# 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_co-eu
_database_code_depnum_ccdc_archive 'CCDC 2040868'
loop_
_audit_author_name
_audit_author_address
'Li menghua'
;Fuzhou University
China
;
_audit_update_record             
;
2021-02-06 deposited with the CCDC.	2021-03-11 downloaded from the CCDC.
;
_audit_creation_date             2021-02-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H20 Co Eu N8 O8, 3(H2 O)'
_chemical_formula_sum            'C20 H26 Co Eu N8 O11'
_chemical_formula_weight         765.38
_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                   19.8318(8)
_cell_length_b                   8.1069(2)
_cell_length_c                   20.1876(7)
_cell_angle_alpha                90
_cell_angle_beta                 108.793(4)
_cell_angle_gamma                90
_cell_volume                     3072.62(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6624
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.0230
_cell_measurement_theta_min      2.1250
_shelx_estimated_absorpt_T_max   0.679
_shelx_estimated_absorpt_T_min   0.487
_exptl_absorpt_coefficient_mu    2.626
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12035
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.131
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -99.00  80.00   0.50   12.00    --   -9.60  49.00-114.00  358
  2  ω    -91.00 -65.00   0.50   12.00    --   -9.60  55.00 -60.00   52
  3  ω     -2.00  50.00   0.50   12.00    --   -9.60  55.00 -60.00  104
  4  ω    -99.00   3.00   0.50   12.00    --   -9.60  43.00   0.00  204
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0075371000
_diffrn_orient_matrix_UB_12      0.0602878000
_diffrn_orient_matrix_UB_13      -0.0221154000
_diffrn_orient_matrix_UB_21      -0.0296789000
_diffrn_orient_matrix_UB_22      -0.0272730000
_diffrn_orient_matrix_UB_23      -0.0281138000
_diffrn_orient_matrix_UB_31      -0.0221186000
_diffrn_orient_matrix_UB_32      0.0572566000
_diffrn_orient_matrix_UB_33      0.0098474000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2520
_reflns_number_total             2715
_reflns_odcompleteness_completeness 99.51
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
The structure exhibits large volume sections consisting of highly 
 disordered solvate or other small molecules. No satisfactory model 
 for the solvate molecules could be developed, and the contribution 
 of the solvate molecules was instead taken into account by reverse 
 Fourier transform methods. According  to the TGA analysis and
 squeeze results, according to the SQUEEZE results, a total number
 of three water molecules (around 21 electrons) was included per unit cell.  
# SQUEEZE RESULTS (Version =  60119)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
   1  0.250  0.250  1.000        85        21 '3 H2O'
   2  0.750  0.250  0.500        85        21 '3 H2O'
   3  0.250  0.750  0.500        85        21 '3 H2O'
   4  0.750  0.750  1.000        85        21 '3 H2O'
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       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.282
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     188
_refine_ls_number_reflns         2715
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0326
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0582P)²+13.2246P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0961
_refine_ls_wR_factor_ref         0.0982
_refine_special_details          ?
_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 O(H,H) groups
2.a Free rotating group:
 O00B(H00I,H00J)
2.b Rotating group:
 O003(H00A,H00B), O007(H00C,H00D)
2.c Secondary CH2 refined with riding coordinates:
 C00J(H00E,H00G)
2.d Aromatic/amide H refined with riding coordinates:
 C00F(H00F), C00H(H00H), C00L(H00L), C00M(H00M)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Eu01 Eu 0.500000 0.71060(3) 0.250000 0.02332(14) Uani 1 2 d S T P . .
Co02 Co 0.500000 1.000000 0.500000 0.0201(2) Uani 1 2 d S . P . .
O003 O 0.5814(2) 0.9400(5) 0.2741(2) 0.0483(10) Uani 1 1 d . . . . .
H00A H 0.607566 0.935049 0.247572 0.072 Uiso 1 1 d R U . . .
H00B H 0.611128 0.931145 0.315682 0.072 Uiso 1 1 d R U . . .
O004 O 0.3361(3) 0.3875(6) 0.2751(2) 0.0625(12) Uani 1 1 d . . . . .
N005 N 0.5082(2) 0.8276(5) 0.3692(2) 0.0329(9) Uani 1 1 d . . . . .
N006 N 0.4869(3) 1.3311(6) 0.4261(3) 0.0477(12) Uani 1 1 d . . . . .
O007 O 0.4569(3) 0.4961(5) 0.1640(2) 0.0616(13) Uani 1 1 d . . . . .
H00C H 0.439491 0.405315 0.181584 0.092 Uiso 1 1 d R U . . .
H00D H 0.492791 0.446705 0.150374 0.092 Uiso 1 1 d R U . . .
C1 C 0.4901(3) 1.2064(6) 0.4534(3) 0.0296(11) Uani 1 1 d . . . . .
N009 N 0.3189(2) 0.5028(6) 0.3974(2) 0.0424(11) Uani 1 1 d . . . . .
C00A C 0.6001(3) 1.0294(6) 0.5299(2) 0.0291(10) Uani 1 1 d . . . . .
O00B O 0.3308(3) 0.0511(7) 0.2986(2) 0.0675(13) Uani 1 1 d G . . . .
H00I H 0.345047 0.149878 0.298129 0.101 Uiso 1 1 d G U . . .
H00J H 0.336910 0.031278 0.341515 0.101 Uiso 1 1 d G U . . .
O00C O 0.3934(2) 0.6160(7) 0.2621(2) 0.0656(14) Uani 1 1 d . . . . .
C00D C 0.5053(2) 0.8923(5) 0.4186(2) 0.0249(9) Uani 1 1 d . . . . .
N00E N 0.6604(3) 1.0519(7) 0.5484(3) 0.0499(12) Uani 1 1 d . . . . .
C00F C 0.3311(3) 0.3746(7) 0.5042(3) 0.0353(11) Uani 1 1 d . . . . .
H00F H 0.358706 0.354724 0.550367 0.042 Uiso 1 1 calc R U . . .
C00G C 0.2646(3) 0.3034(6) 0.4781(3) 0.0361(12) Uani 1 1 d . . . . .
C00H C 0.3568(3) 0.4738(7) 0.4633(3) 0.0389(12) Uani 1 1 d . . . . .
H00H H 0.401620 0.521560 0.481965 0.047 Uiso 1 1 calc R U . . .
C00I C 0.3596(3) 0.5251(9) 0.2922(3) 0.0497(15) Uani 1 1 d . . . . .
C00J C 0.3470(4) 0.6118(8) 0.3532(3) 0.0546(16) Uani 1 1 d . . . . .
H00E H 0.391533 0.659841 0.382210 0.066 Uiso 1 1 calc R U . . .
H00G H 0.313581 0.701287 0.335514 0.066 Uiso 1 1 calc R U . . .
C00L C 0.2551(3) 0.4337(11) 0.3697(3) 0.071(2) Uani 1 1 d . . . . .
H00L H 0.229253 0.453086 0.322955 0.086 Uiso 1 1 calc R U . . .
C00M C 0.2271(3) 0.3346(12) 0.4090(4) 0.074(2) Uani 1 1 d . . . . .
H00M H 0.182367 0.287859 0.388881 0.089 Uiso 1 1 calc R U . . .


_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
Eu01 Eu01 0.0000(6) 2_655 ?
Eu01 O003 2.408(4) . ?
Eu01 O003 2.408(4) 2_655 ?
Eu01 H00A 2.8163 . ?
Eu01 H00A 2.816(12) 2_655 ?
Eu01 H00B 2.8159 . ?
Eu01 N005 2.543(4) . ?
Eu01 N005 2.543(4) 2_655 ?
Eu01 O007 2.411(4) 2_655 ?
Eu01 O007 2.411(4) . ?
Eu01 O00C 2.334(4) 2_655 ?
Eu01 O00C 2.334(4) . ?
Co02 C1 1.898(5) . ?
Co02 C1 1.898(5) 5_676 ?
Co02 C00A 1.894(5) 5_676 ?
Co02 C00A 1.894(5) . ?
Co02 C00D 1.894(4) 5_676 ?
Co02 C00D 1.894(4) . ?
O003 H00A 0.8583 . ?
O003 H00B 0.8584 . ?
O004 C00I 1.215(8) . ?
N005 C00D 1.143(6) . ?
N006 C1 1.143(7) . ?
O007 H00C 0.9295 . ?
O007 H00D 0.9332 . ?
N009 C00H 1.322(7) . ?
N009 C00J 1.485(7) . ?
N009 C00L 1.331(8) . ?
C00A N00E 1.148(7) . ?
O00B H00I 0.8505 . ?
O00B H00J 0.8499 . ?
O00C C00I 1.274(7) . ?
C00F H00F 0.9300 . ?
C00F C00G 1.379(7) . ?
C00F C00H 1.366(7) . ?
C00G C00G 1.483(10) 7_556 ?
C00G C00M 1.376(8) . ?
C00H H00H 0.9300 . ?
C00I C00J 1.507(9) . ?
C00J H00E 0.9700 . ?
C00J H00G 0.9700 . ?
C00L H00L 0.9300 . ?
C00L C00M 1.366(9) . ?
C00M H00M 0.9300 . ?

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
Eu01 Eu01 O003 0(10) 2_655 . ?
Eu01 Eu01 O003 0(10) 2_655 2_655 ?
Eu01 Eu01 H00A 0.0 2_655 . ?
Eu01 Eu01 H00A 0(10) 2_655 2_655 ?
Eu01 Eu01 H00B 0.0 2_655 . ?
Eu01 Eu01 N005 0(10) 2_655 . ?
Eu01 Eu01 N005 0(10) 2_655 2_655 ?
Eu01 Eu01 O007 0(10) 2_655 2_655 ?
Eu01 Eu01 O007 0(10) 2_655 . ?
Eu01 Eu01 O00C 0(10) 2_655 2_655 ?
Eu01 Eu01 O00C 0(10) 2_655 . ?
O003 Eu01 O003 78.9(2) . 2_655 ?
O003 Eu01 H00A 87.7(3) . 2_655 ?
O003 Eu01 H00A 16.7(8) 2_655 2_655 ?
O003 Eu01 H00A 16.7 . . ?
O003 Eu01 H00A 87.7 2_655 . ?
O003 Eu01 H00B 16.7 . . ?
O003 Eu01 H00B 88.7 2_655 . ?
O003 Eu01 N005 74.80(14) . 2_655 ?
O003 Eu01 N005 71.69(14) 2_655 2_655 ?
O003 Eu01 N005 74.80(14) 2_655 . ?
O003 Eu01 N005 71.69(14) . . ?
O003 Eu01 O007 110.62(16) 2_655 . ?
O003 Eu01 O007 110.62(16) . 2_655 ?
O003 Eu01 O007 139.67(14) . . ?
O003 Eu01 O007 139.66(14) 2_655 2_655 ?
H00A Eu01 H00A 99.5 . 2_655 ?
H00A Eu01 H00B 27.8 . . ?
H00B Eu01 H00A 93.7 . 2_655 ?
N005 Eu01 H00A 63.9 2_655 . ?
N005 Eu01 H00A 63.9(11) . 2_655 ?
N005 Eu01 H00A 87.6(10) 2_655 2_655 ?
N005 Eu01 H00A 87.6 . . ?
N005 Eu01 H00B 90.6 2_655 . ?
N005 Eu01 H00B 61.0 . . ?
N005 Eu01 N005 136.2(2) . 2_655 ?
O007 Eu01 H00A 123.3(9) 2_655 2_655 ?
O007 Eu01 H00A 112.6(9) . 2_655 ?
O007 Eu01 H00A 112.6 2_655 . ?
O007 Eu01 H00A 123.3 . . ?
O007 Eu01 H00B 94.4 2_655 . ?
O007 Eu01 H00B 147.1 . . ?
O007 Eu01 N005 148.23(14) . . ?
O007 Eu01 N005 71.83(14) 2_655 . ?
O007 Eu01 N005 148.23(14) 2_655 2_655 ?
O007 Eu01 N005 71.83(14) . 2_655 ?
O007 Eu01 O007 87.7(2) 2_655 . ?
O00C Eu01 O003 72.78(17) 2_655 . ?
O00C Eu01 O003 72.78(17) . 2_655 ?
O00C Eu01 O003 143.48(16) 2_655 2_655 ?
O00C Eu01 O003 143.48(16) . . ?
O00C Eu01 H00A 59.6 2_655 . ?
O00C Eu01 H00A 158.5 . . ?
O00C Eu01 H00A 59.60(18) . 2_655 ?
O00C Eu01 H00A 158.5(3) 2_655 2_655 ?
O00C Eu01 H00B 70.1 2_655 . ?
O00C Eu01 H00B 139.2 . . ?
O00C Eu01 N005 78.92(14) . . ?
O00C Eu01 N005 78.92(14) 2_655 2_655 ?
O00C Eu01 N005 115.94(15) 2_655 . ?
O00C Eu01 N005 115.94(15) . 2_655 ?
O00C Eu01 O007 73.44(16) 2_655 2_655 ?
O00C Eu01 O007 79.10(18) . 2_655 ?
O00C Eu01 O007 73.44(16) . . ?
O00C Eu01 O007 79.10(18) 2_655 . ?
O00C Eu01 O00C 141.6(3) 2_655 . ?
C1 Co02 C1 180.0 5_676 . ?
C00A Co02 C1 88.7(2) . . ?
C00A Co02 C1 91.3(2) 5_676 . ?
C00A Co02 C1 91.3(2) . 5_676 ?
C00A Co02 C1 88.7(2) 5_676 5_676 ?
C00A Co02 C00A 180.0(3) 5_676 . ?
C00A Co02 C00D 90.60(19) 5_676 . ?
C00A Co02 C00D 89.40(19) . . ?
C00A Co02 C00D 90.60(19) . 5_676 ?
C00A Co02 C00D 89.40(19) 5_676 5_676 ?
C00D Co02 C1 90.1(2) 5_676 5_676 ?
C00D Co02 C1 89.9(2) . 5_676 ?
C00D Co02 C1 90.1(2) . . ?
C00D Co02 C1 89.9(2) 5_676 . ?
C00D Co02 C00D 180.0 5_676 . ?
Eu01 O003 Eu01 0.0 2_655 . ?
Eu01 O003 H00A 109.7 2_655 . ?
Eu01 O003 H00A 109.7 . . ?
Eu01 O003 H00B 109.7 . . ?
Eu01 O003 H00B 109.7 2_655 . ?
H00A O003 H00B 104.2 . . ?
Eu01 N005 Eu01 0.000(12) 2_655 . ?
C00D N005 Eu01 171.8(4) . 2_655 ?
C00D N005 Eu01 171.8(4) . . ?
Eu01 O007 Eu01 0.0 2_655 . ?
Eu01 O007 H00C 112.7 . . ?
Eu01 O007 H00C 112.7 2_655 . ?
Eu01 O007 H00D 113.2 . . ?
Eu01 O007 H00D 113.2 2_655 . ?
H00C O007 H00D 100.7 . . ?
N006 C1 Co02 177.4(5) . . ?
C00H N009 C00J 120.5(5) . . ?
C00H N009 C00L 120.3(5) . . ?
C00L N009 C00J 119.2(5) . . ?
N00E C00A Co02 178.0(5) . . ?
H00I O00B H00J 104.5 . . ?
Eu01 O00C Eu01 0.000(13) 2_655 . ?
C00I O00C Eu01 150.8(5) . . ?
C00I O00C Eu01 150.8(5) . 2_655 ?
N005 C00D Co02 179.7(5) . . ?
C00G C00F H00F 119.6 . . ?
C00H C00F H00F 119.6 . . ?
C00H C00F C00G 120.9(5) . . ?
C00F C00G C00G 121.7(6) . 7_556 ?
C00M C00G C00F 116.6(5) . . ?
C00M C00G C00G 121.7(6) . 7_556 ?
N009 C00H C00F 120.8(5) . . ?
N009 C00H H00H 119.6 . . ?
C00F C00H H00H 119.6 . . ?
O004 C00I O00C 127.4(6) . . ?
O004 C00I C00J 120.7(5) . . ?
O00C C00I C00J 111.8(6) . . ?
N009 C00J C00I 114.0(5) . . ?
N009 C00J H00E 108.8 . . ?
N009 C00J H00G 108.8 . . ?
C00I C00J H00E 108.8 . . ?
C00I C00J H00G 108.8 . . ?
H00E C00J H00G 107.7 . . ?
N009 C00L H00L 119.6 . . ?
N009 C00L C00M 120.8(6) . . ?
C00M C00L H00L 119.6 . . ?
C00G C00M H00M 119.7 . . ?
C00L C00M C00G 120.6(6) . . ?
C00L C00M H00M 119.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu01 O00C C00I O004 -92.9(10) 2_655 . . . ?
Eu01 O00C C00I O004 -92.9(10) . . . . ?
Eu01 O00C C00I C00J 90.3(10) 2_655 . . . ?
Eu01 O00C C00I C00J 90.3(10) . . . . ?
O004 C00I C00J N009 12.7(9) . . . . ?
N009 C00L C00M C00G -0.4(14) . . . . ?
O00C C00I C00J N009 -170.2(6) . . . . ?
C00F C00G C00M C00L -1.0(12) . . . . ?
C00G C00F C00H N009 -0.6(8) . . . . ?
C00G C00G C00M C00L 179.9(8) 7_556 . . . ?
C00H N009 C00J C00I 115.8(6) . . . . ?
C00H N009 C00L C00M 1.3(12) . . . . ?
C00H C00F C00G C00G -179.4(6) . . . 7_556 ?
C00H C00F C00G C00M 1.5(9) . . . . ?
C00J N009 C00H C00F 179.6(5) . . . . ?
C00J N009 C00L C00M -179.1(8) . . . . ?
C00L N009 C00H C00F -0.8(9) . . . . ?
C00L N009 C00J C00I -63.8(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.176 -0.798 -0.926 1076.9 296.4 ?
2 0.092 0.104 0.308 0.0 0.0 ?
3 0.092 0.896 0.808 0.0 0.0 ?
4 0.150 0.188 0.400 0.0 0.0 ?
5 0.150 0.812 0.900 0.0 0.0 ?
6 0.350 0.312 0.600 0.0 0.0 ?
7 0.350 0.688 0.100 0.0 0.0 ?
8 0.408 0.396 0.692 0.0 0.0 ?
9 0.408 0.604 0.192 0.0 0.0 ?
10 0.592 0.396 0.808 0.0 0.0 ?
11 0.592 0.604 0.308 0.0 0.0 ?
12 0.650 0.312 0.900 0.0 0.0 ?
13 0.650 0.688 0.400 0.0 0.0 ?
14 0.850 0.188 0.100 0.0 0.0 ?
15 0.850 0.812 0.600 0.0 0.0 ?
16 0.908 0.104 0.192 0.0 0.0 ?
17 0.908 0.896 0.692 0.0 0.0 ?

_smtbx_masks_void_probe_radius   0.6
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.207
_oxdiff_exptl_absorpt_empirical_full_min 0.932
# start Validation Reply Form
_vrf_PLAT420_co-eu               
;
PROBLEM: D-H Without Acceptor       O003     --H00B    
RESPONSE: These  alerts  are  all  related  to  the  hydrogen  atoms  of lattice
water molecules.  It  is  very  difficult  to  locate  hydrogen  atoms  accurately
using  X-ray  data because  these  atoms  have  low  scattering  power.
;
####################################################################### 
# 
# 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_co-eu_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2040869'
loop_
_audit_author_name
_audit_author_address
'Li menghua'
;Fuzhou University
China
;
_audit_update_record             
;
2021-03-05 deposited with the CCDC.	2021-03-11 downloaded from the CCDC.
;
_audit_creation_date             2021-03-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C20 H20 Co Eu N8 O8, 3(H2 O), 2(C0.7 H3.1 O0.5), 2(H2 O0.5)'
_chemical_formula_sum            'C21.40 H36.20 Co Eu N8 O13'
_chemical_formula_weight         824.47
_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                   19.8318(8)
_cell_length_b                   8.1069(2)
_cell_length_c                   20.1876(7)
_cell_angle_alpha                90
_cell_angle_beta                 108.793(4)
_cell_angle_gamma                90
_cell_volume                     3072.62(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6624
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.0230
_cell_measurement_theta_min      2.1250
_shelx_estimated_absorpt_T_max   0.678
_shelx_estimated_absorpt_T_min   0.486
_exptl_absorpt_coefficient_mu    2.637
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1658
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_unetI/netI     0.0355
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.849
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            13625
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.849
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.292
_diffrn_reflns_theta_min         2.131
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -99.00  80.00   0.50   12.00    --   -9.60  49.00-114.00  358
  2  ω    -91.00 -65.00   0.50   12.00    --   -9.60  55.00 -60.00   52
  3  ω     -2.00  50.00   0.50   12.00    --   -9.60  55.00 -60.00  104
  4  ω    -99.00   3.00   0.50   12.00    --   -9.60  43.00   0.00  204
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0075371000
_diffrn_orient_matrix_UB_12      0.0602878000
_diffrn_orient_matrix_UB_13      -0.0221154000
_diffrn_orient_matrix_UB_21      -0.0296789000
_diffrn_orient_matrix_UB_22      -0.0272730000
_diffrn_orient_matrix_UB_23      -0.0281138000
_diffrn_orient_matrix_UB_31      -0.0221186000
_diffrn_orient_matrix_UB_32      0.0572566000
_diffrn_orient_matrix_UB_33      0.0098474000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3205
_reflns_number_total             3568
_reflns_odcompleteness_completeness 99.51
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.152
_refine_diff_density_min         -0.682
_refine_diff_density_rms         0.177
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3568
_refine_ls_number_restraints     522
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0310
_refine_ls_restrained_S_all      1.213
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0519P)²+5.4039P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0946
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Restrained distances
 N0-C00J \\sim N008-C00J \\sim N0-C4 \\sim N008-C00L \\sim C4-C00N \\sim
C00M-C00L \\sim C2-C00N ~
 C00M-C00G \\sim C1-C2 \\sim C00G-C00F \\sim C3-C1 \\sim C00H-C00F \\sim N0-C3
\\sim N008-C00H
 with sigma of 0.02
 Eu01-H00a \\sim Eu01-H00b
 with sigma of 0.02
3. Rigid bond restraints
 N008, C00F, H00F, C00G, C00H, H00H, C00L, H00L, C00M, H00M, N0, C1, H1, C2,
 C3, H3, C4, H4, C00N, H00N
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C00G \\sim N008 \\sim C00F \\sim H00F \\sim C00H \\sim H00H \\sim C00L \\sim
H00L \\sim C00M \\sim H00M \\sim N0 \\sim C1 \\sim H1 \\sim C2 \\sim C3 \\sim
H3 \\sim C4 \\sim H4 \\sim C00N \\sim H00N: within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 2A
Uanis(N008) \\sim Ueq, Uanis(C00F) \\sim Ueq, Uanis(C00G) \\sim Ueq,
Uanis(C00H) \\sim Ueq, Uanis(C00L) \\sim Ueq, Uanis(C00M) \\sim Ueq, Uanis(N0)
\\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim Ueq,
Uanis(C4) \\sim Ueq, Uanis(C00N) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Others
 Sof(H00i)=Sof(H00j)=Sof(N0)=Sof(C1)=Sof(H1)=Sof(C2)=Sof(C3)=Sof(H3)=Sof(C4)=
 Sof(H4)=Sof(C00N)=Sof(H00N)=1-FVAR(1)
 Sof(N008)=Sof(C00F)=Sof(H00F)=Sof(C00G)=Sof(C00H)=Sof(H00H)=Sof(H00e)=
 Sof(H00g)=Sof(C00L)=Sof(H00L)=Sof(C00M)=Sof(H00M)=FVAR(1)
 Fixed Sof: O00K(0.5) O00N(0.5) O00O(0.5) H00s(0.5) H00t(0.5) C5(0.7) H5a(0.7)
 H5b(0.7) H5c(0.7)
6.a Free rotating group:
 O004(H00a,H00b), O00B(H00o,H00p), O00N(H00q,H00r), O00O(H00s,H00t)
6.b Rotating group:
 O009(H00c,H00d)
6.c Secondary CH2 refined with riding coordinates:
 C00J(H00e,H00g), C00J(H00i,H00j)
6.d Aromatic/amide H refined with riding coordinates:
 C00F(H00F), C00H(H00H), C00L(H00L), C00M(H00M), C1(H1), C3(H3), C4(H4),
 C00N(H00N)
6.e Idealised Me refined as rotating group:
 C5(H5a,H5b,H5c)
6.f Idealised tetrahedral OH refined as rotating group:
 O00K(H00K)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Eu01 Eu 0.500000 0.71058(3) 0.250000 0.02305(10) Uani 1 2 d DS T P . .
Co02 Co 0.500000 1.000000 0.500000 0.02008(15) Uani 1 2 d S . P . .
O003 O 0.3360(2) 0.3872(5) 0.2750(2) 0.0632(11) Uani 1 1 d . . . . .
O004 O 0.58185(18) 0.9393(5) 0.27421(17) 0.0479(8) Uani 1 1 d G . . . .
H00A H 0.615571 0.932675 0.312850 0.072 Uiso 1 1 d DG U . . .
H00B H 0.602569 0.955682 0.243910 0.072 Uiso 1 1 d DG U . . .
N005 N 0.50828(19) 0.8272(4) 0.36917(17) 0.0335(7) Uani 1 1 d . . . . .
N006 N 0.4862(2) 1.3313(5) 0.4256(2) 0.0480(10) Uani 1 1 d . . . . .
C007 C 0.4901(2) 1.2074(5) 0.4533(2) 0.0308(8) Uani 1 1 d . . . . .
N008 N 0.3225(8) 0.491(2) 0.3929(8) 0.037(2) Uani 0.392(19) 1 d D U P A 1
O009 O 0.4566(2) 0.4970(4) 0.16419(19) 0.0609(11) Uani 1 1 d . . . . .
H00C H 0.439718 0.416297 0.181960 0.091 Uiso 1 1 d R U . . .
H00D H 0.491604 0.453246 0.153836 0.091 Uiso 1 1 d R U . . .
C00A C 0.6000(2) 1.0296(5) 0.5300(2) 0.0302(8) Uani 1 1 d . . . . .
O00B O 0.3312(3) 0.0524(6) 0.2989(2) 0.0678(11) Uani 1 1 d G . . . .
H00O H 0.342704 0.153101 0.297587 0.102 Uiso 1 1 d G U . . .
H00P H 0.329694 0.038810 0.340146 0.102 Uiso 1 1 d G U . . .
C00C C 0.50522(19) 0.8926(4) 0.41861(18) 0.0254(7) Uani 1 1 d . . . . .
O00D O 0.3934(2) 0.6153(5) 0.26197(19) 0.0651(11) Uani 1 1 d . . . . .
N00E N 0.6605(2) 1.0494(6) 0.5486(2) 0.0499(10) Uani 1 1 d . . . . .
C00F C 0.3283(14) 0.390(3) 0.5044(15) 0.035(2) Uani 0.392(19) 1 d D U P A 1
H00F H 0.357370 0.369617 0.549965 0.042 Uiso 0.392(19) 1 calc R U P A 1
C00G C 0.2616(13) 0.319(3) 0.4807(10) 0.032(3) Uani 0.392(19) 1 d D U P A 1
C00H C 0.3526(12) 0.490(2) 0.4626(9) 0.034(2) Uani 0.392(19) 1 d D U P A 1
H00H H 0.391018 0.559161 0.483027 0.041 Uiso 0.392(19) 1 calc R U P A 1
C00I C 0.3595(3) 0.5257(7) 0.2921(3) 0.0494(12) Uani 1 1 d . . . . .
C00J C 0.3466(3) 0.6112(7) 0.3535(3) 0.0556(13) Uani 1 1 d D . . . .
H00E H 0.390228 0.662152 0.382863 0.067 Uiso 0.392(19) 1 calc R U P A 1
H00G H 0.310872 0.696671 0.336916 0.067 Uiso 0.392(19) 1 calc R U P A 1
H00I H 0.391584 0.656864 0.382583 0.067 Uiso 0.608(19) 1 calc R U P A 2
H00J H 0.314768 0.703312 0.335364 0.067 Uiso 0.608(19) 1 calc R U P A 2
O00K O 0.3854(4) 0.2350(9) 0.1731(4) 0.0513(17) Uani 0.5 1 d . . P . .
H00K H 0.370581 0.214434 0.131099 0.077 Uiso 1 1 calc R U . . .
C00L C 0.2493(6) 0.474(2) 0.3753(8) 0.038(2) Uani 0.392(19) 1 d D U P A 1
H00L H 0.219259 0.529980 0.336936 0.046 Uiso 0.392(19) 1 calc R U P A 1
C00M C 0.2212(7) 0.374(2) 0.4149(7) 0.035(2) Uani 0.392(19) 1 d D U P A 1
H00M H 0.173710 0.341894 0.396939 0.042 Uiso 0.392(19) 1 calc R U P A 1
O00N O 0.3063(4) 0.3825(12) 0.1317(4) 0.064(2) Uani 0.5 1 d G . P . .
H00Q H 0.268281 0.431196 0.107823 0.097 Uiso 1 1 d G U . . .
H00R H 0.309411 0.401125 0.173993 0.097 Uiso 1 1 d G U . . .
O00O O 0.2775(6) 0.2385(13) 0.0489(7) 0.082(3) Uani 0.5 1 d G . P . .
H00S H 0.244840 0.302115 0.024478 0.123 Uiso 0.5 1 d G U P . .
H00T H 0.303781 0.300197 0.080938 0.123 Uiso 0.5 1 d G U P . .
N0 N 0.3165(5) 0.5131(13) 0.3992(5) 0.0360(17) Uani 0.608(19) 1 d D U P A 2
C1 C 0.3328(8) 0.3654(16) 0.5045(9) 0.0319(17) Uani 0.608(19) 1 d D U P A 2
H1 H 0.359297 0.346233 0.551020 0.038 Uiso 0.608(19) 1 calc R U P A 2
C2 C 0.2661(8) 0.2938(18) 0.4766(6) 0.031(2) Uani 0.608(19) 1 d D U P A 2
C3 C 0.3598(8) 0.4638(15) 0.4642(6) 0.0351(16) Uani 0.608(19) 1 d D U P A 2
H3 H 0.407167 0.497221 0.480654 0.042 Uiso 0.608(19) 1 calc R U P A 2
C4 C 0.2576(4) 0.4139(14) 0.3667(5) 0.0390(16) Uani 0.608(19) 1 d D U P A 2
H4 H 0.237063 0.417253 0.318261 0.047 Uiso 0.608(19) 1 calc R U P A 2
C00N C 0.2297(5) 0.3109(15) 0.4056(5) 0.0370(16) Uani 0.608(19) 1 d D U P A 2
H00N H 0.187425 0.254172 0.384769 0.044 Uiso 0.608(19) 1 calc R U P A 2
C5 C 0.4373(8) 0.1232(16) 0.2063(10) 0.128(6) Uani 0.7 1 d . . P . .
H5A H 0.478015 0.138624 0.191099 0.192 Uiso 0.7 1 calc R U P . .
H5B H 0.419268 0.013263 0.195114 0.192 Uiso 0.7 1 calc R U P . .
H5C H 0.450957 0.139635 0.256000 0.192 Uiso 0.7 1 calc R U P . .


_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
Eu01 Eu01 0.0000 2_655 ?
Eu01 O004 2.409(3) . ?
Eu01 O004 2.409(3) 2_655 ?
Eu01 N005 2.541(3) 2_655 ?
Eu01 N005 2.541(3) . ?
Eu01 O009 2.404(3) . ?
Eu01 O009 2.404(3) 2_655 ?
Eu01 H00C 2.8195 . ?
Eu01 H00D 2.8178 . ?
Eu01 H00D 2.818(16) 2_655 ?
Eu01 O00D 2.336(3) . ?
Eu01 O00D 2.336(3) 2_655 ?
Co02 C007 1.907(4) 5_676 ?
Co02 C007 1.907(4) . ?
Co02 C00A 1.894(4) 5_676 ?
Co02 C00A 1.894(4) . ?
Co02 C00C 1.891(4) . ?
Co02 C00C 1.891(4) 5_676 ?
O003 C00I 1.222(6) . ?
O004 H00A 0.8500 . ?
O004 H00B 0.8500 . ?
O004 C5 1.618(13) 2_665 ?
O004 H5B 0.87(10) 2_665 ?
N005 C00C 1.149(5) . ?
N006 C007 1.140(5) . ?
N008 C00H 1.340(13) . ?
N008 C00J 1.434(12) . ?
N008 C00L 1.387(12) . ?
O009 H00C 0.8634 . ?
O009 H00D 0.8632 . ?
C00A N00E 1.148(5) . ?
O00B H00O 0.8502 . ?
O00B H00P 0.8494 . ?
O00D C00I 1.270(6) . ?
C00F H00F 0.9300 . ?
C00F C00G 1.379(13) . ?
C00F C00H 1.363(13) . ?
C00G C00G 1.52(5) 7_556 ?
C00G C00M 1.385(13) . ?
C00H H00H 0.9300 . ?
C00I C00J 1.512(7) . ?
C00J H00E 0.9700 . ?
C00J H00G 0.9700 . ?
C00J H00I 0.9700 . ?
C00J H00J 0.9700 . ?
C00J N0 1.482(8) . ?
O00K H00K 0.8200 . ?
O00K C5 1.374(15) . ?
C00L H00L 0.9300 . ?
C00L C00M 1.376(11) . ?
C00M H00M 0.9300 . ?
O00N H00Q 0.8504 . ?
O00N H00R 0.8500 . ?
O00N H00T 1.2100 . ?
O00O H00S 0.8502 . ?
O00O H00T 0.8500 . ?
O00O H00T 0.8500 . ?
N0 C3 1.377(10) . ?
N0 C4 1.395(10) . ?
C1 H1 0.9300 . ?
C1 C2 1.387(10) . ?
C1 C3 1.365(10) . ?
C2 C2 1.48(3) 7_556 ?
C2 C00N 1.388(10) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C4 C00N 1.379(9) . ?
C00N H00N 0.9300 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Eu01 Eu01 O004 0(10) 2_655 2_655 ?
Eu01 Eu01 O004 0(10) 2_655 . ?
Eu01 Eu01 N005 0(10) 2_655 . ?
Eu01 Eu01 N005 0(10) 2_655 2_655 ?
Eu01 Eu01 O009 0(10) 2_655 . ?
Eu01 Eu01 O009 0(10) 2_655 2_655 ?
Eu01 Eu01 H00C 0.0 2_655 . ?
Eu01 Eu01 H00D 0(10) 2_655 2_655 ?
Eu01 Eu01 H00D 0.0 2_655 . ?
Eu01 Eu01 O00D 0(10) 2_655 . ?
Eu01 Eu01 O00D 0(10) 2_655 2_655 ?
O004 Eu01 O004 79.31(18) 2_655 . ?
O004 Eu01 N005 74.89(12) . 2_655 ?
O004 Eu01 N005 71.79(11) 2_655 2_655 ?
O004 Eu01 N005 71.79(11) . . ?
O004 Eu01 N005 74.89(11) 2_655 . ?
O004 Eu01 H00C 154.5 . . ?
O004 Eu01 H00C 113.6 2_655 . ?
O004 Eu01 H00D 126.6 . . ?
O004 Eu01 H00D 126.6(9) 2_655 2_655 ?
O004 Eu01 H00D 122.9(8) . 2_655 ?
O004 Eu01 H00D 122.9 2_655 . ?
N005 Eu01 N005 136.29(16) . 2_655 ?
N005 Eu01 H00C 88.0 2_655 . ?
N005 Eu01 H00C 131.6 . . ?
N005 Eu01 H00D 69.6 2_655 . ?
N005 Eu01 H00D 154.08(12) 2_655 2_655 ?
N005 Eu01 H00D 69.62(12) . 2_655 ?
N005 Eu01 H00D 154.1 . . ?
O009 Eu01 O004 139.67(12) 2_655 2_655 ?
O009 Eu01 O004 110.30(14) . 2_655 ?
O009 Eu01 O004 110.30(14) 2_655 . ?
O009 Eu01 O004 139.67(12) . . ?
O009 Eu01 N005 148.14(12) . . ?
O009 Eu01 N005 148.14(12) 2_655 2_655 ?
O009 Eu01 N005 71.76(12) . 2_655 ?
O009 Eu01 N005 71.76(12) 2_655 . ?
O009 Eu01 O009 87.84(19) 2_655 . ?
O009 Eu01 H00C 16.7 . . ?
O009 Eu01 H00C 74.9 2_655 . ?
O009 Eu01 H00D 16.7 . . ?
O009 Eu01 H00D 83.7(4) . 2_655 ?
O009 Eu01 H00D 16.7(11) 2_655 2_655 ?
O009 Eu01 H00D 83.7 2_655 . ?
H00C Eu01 H00D 68.3 . 2_655 ?
H00C Eu01 H00D 27.9 . . ?
H00D Eu01 H00D 84.5 . 2_655 ?
O00D Eu01 O004 143.80(14) . . ?
O00D Eu01 O004 143.80(14) 2_655 2_655 ?
O00D Eu01 O004 72.67(15) . 2_655 ?
O00D Eu01 O004 72.67(15) 2_655 . ?
O00D Eu01 N005 79.02(12) 2_655 2_655 ?
O00D Eu01 N005 115.88(13) . 2_655 ?
O00D Eu01 N005 115.88(13) 2_655 . ?
O00D Eu01 N005 79.02(12) . . ?
O00D Eu01 O009 79.24(16) . 2_655 ?
O00D Eu01 O009 73.17(14) 2_655 2_655 ?
O00D Eu01 O009 79.24(16) 2_655 . ?
O00D Eu01 O009 73.17(14) . . ?
O00D Eu01 H00C 85.7 2_655 . ?
O00D Eu01 H00C 61.0 . . ?
O00D Eu01 H00D 88.4(10) 2_655 2_655 ?
O00D Eu01 H00D 62.5 2_655 . ?
O00D Eu01 H00D 88.4 . . ?
O00D Eu01 H00D 62.5(11) . 2_655 ?
O00D Eu01 O00D 141.4(2) 2_655 . ?
C007 Co02 C007 180.0(2) 5_676 . ?
C00A Co02 C007 91.32(18) . 5_676 ?
C00A Co02 C007 88.68(18) 5_676 5_676 ?
C00A Co02 C007 88.68(18) . . ?
C00A Co02 C007 91.32(18) 5_676 . ?
C00A Co02 C00A 180.0(2) 5_676 . ?
C00C Co02 C007 89.91(16) . 5_676 ?
C00C Co02 C007 90.10(16) 5_676 5_676 ?
C00C Co02 C007 89.90(16) 5_676 . ?
C00C Co02 C007 90.09(16) . . ?
C00C Co02 C00A 89.51(16) 5_676 5_676 ?
C00C Co02 C00A 90.49(16) . 5_676 ?
C00C Co02 C00A 89.51(16) . . ?
C00C Co02 C00A 90.49(16) 5_676 . ?
C00C Co02 C00C 180.0 . 5_676 ?
Eu01 O004 Eu01 0.0 . 2_655 ?
Eu01 O004 H00A 114.6 . . ?
Eu01 O004 H00A 114.6 2_655 . ?
Eu01 O004 H00B 115.1 . . ?
Eu01 O004 H00B 115.1 2_655 . ?
Eu01 O004 H5B 120(6) 2_655 2_665 ?
Eu01 O004 H5B 120(6) . 2_665 ?
H00A O004 H00B 104.5 . . ?
H00A O004 H5B 65.3 . 2_665 ?
H00B O004 H5B 122.4 . 2_665 ?
C5 O004 Eu01 124.3(5) 2_665 . ?
C5 O004 Eu01 124.3(5) 2_665 2_655 ?
C5 O004 H00A 90.7 2_665 . ?
C5 O004 H00B 103.7 2_665 . ?
C5 O004 H5B 29(4) 2_665 2_665 ?
Eu01 N005 Eu01 0.000(10) 2_655 . ?
C00C N005 Eu01 171.5(3) . . ?
C00C N005 Eu01 171.5(3) . 2_655 ?
N006 C007 Co02 178.0(4) . . ?
C00H N008 C00J 118.1(15) . . ?
C00H N008 C00L 110.0(16) . . ?
C00L N008 C00J 115.7(12) . . ?
Eu01 O009 Eu01 0.000(8) 2_655 . ?
Eu01 O009 H00C 110.1 2_655 . ?
Eu01 O009 H00C 110.1 . . ?
Eu01 O009 H00D 109.9 . . ?
Eu01 O009 H00D 109.9 2_655 . ?
H00C O009 H00D 103.8 . . ?
N00E C00A Co02 179.1(4) . . ?
H00O O00B H00P 104.5 . . ?
N005 C00C Co02 179.9(4) . . ?
Eu01 O00D Eu01 0.0 2_655 . ?
C00I O00D Eu01 151.0(4) . . ?
C00I O00D Eu01 151.0(4) . 2_655 ?
C00G C00F H00F 119.2 . . ?
C00H C00F H00F 119.2 . . ?
C00H C00F C00G 122(2) . . ?
C00F C00G C00G 123.1(19) . 7_556 ?
C00F C00G C00M 113(2) . . ?
C00M C00G C00G 123(2) . 7_556 ?
N008 C00H C00F 122(2) . . ?
N008 C00H H00H 119.1 . . ?
C00F C00H H00H 119.1 . . ?
O003 C00I O00D 127.1(5) . . ?
O003 C00I C00J 120.1(4) . . ?
O00D C00I C00J 112.7(5) . . ?
N008 C00J C00I 108.4(9) . . ?
N008 C00J H00E 110.0 . . ?
N008 C00J H00G 110.0 . . ?
C00I C00J H00E 110.0 . . ?
C00I C00J H00G 110.0 . . ?
C00I C00J H00I 107.7 . . ?
C00I C00J H00J 107.7 . . ?
H00E C00J H00G 108.4 . . ?
H00I C00J H00J 107.1 . . ?
N0 C00J C00I 118.3(6) . . ?
N0 C00J H00I 107.7 . . ?
N0 C00J H00J 107.7 . . ?
C5 O00K H00K 109.5 . . ?
N008 C00L H00L 120.1 . . ?
C00M C00L N008 119.8(12) . . ?
C00M C00L H00L 120.1 . . ?
C00G C00M H00M 119.1 . . ?
C00L C00M C00G 121.9(16) . . ?
C00L C00M H00M 119.1 . . ?
H00Q O00N H00R 104.5 . . ?
H00Q O00N H00T 89.4 . . ?
H00R O00N H00T 156.7 . . ?
H00S O00O H00T 104.5 . . ?
H00T O00O H00S 104.5 . . ?
H00T O00O H00T 0.0 . . ?
C3 N0 C00J 119.8(10) . . ?
C3 N0 C4 116.9(10) . . ?
C4 N0 C00J 117.4(8) . . ?
C2 C1 H1 119.7 . . ?
C3 C1 H1 119.7 . . ?
C3 C1 C2 120.6(15) . . ?
C1 C2 C00N 119.2(14) . . ?
N0 C3 H3 120.2 . . ?
C1 C3 N0 119.5(13) . . ?
C1 C3 H3 120.2 . . ?
N0 C4 H4 119.7 . . ?
C00N C4 N0 120.6(8) . . ?
C00N C4 H4 119.7 . . ?
C2 C00N H00N 120.7 . . ?
C4 C00N C2 118.6(10) . . ?
C4 C00N H00N 120.7 . . ?
O00K C5 H5A 109.5 . . ?
O00K C5 H5B 109.5 . . ?
O00K C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu01 O00D C00I O003 -93.4(8) 2_655 . . . ?
Eu01 O00D C00I O003 -93.4(8) . . . . ?
Eu01 O00D C00I C00J 89.2(9) 2_655 . . . ?
Eu01 O00D C00I C00J 89.2(9) . . . . ?
O003 C00I C00J N008 14.9(10) . . . . ?
O003 C00I C00J N0 10.7(9) . . . . ?
N008 C00L C00M C00G 15(2) . . . . ?
O00D C00I C00J N008 -167.6(8) . . . . ?
O00D C00I C00J N0 -171.8(6) . . . . ?
C00F C00G C00M C00L 7(3) . . . . ?
C00G C00F C00H N008 -18(3) . . . . ?
C00G C00G C00M C00L -166(3) 7_556 . . . ?
C00H N008 C00J C00I 133.3(17) . . . . ?
C00H N008 C00L C00M -36(2) . . . . ?
C00H C00F C00G C00G 167(3) . . . 7_556 ?
C00H C00F C00G C00M -7(3) . . . . ?
C00I C00J N0 C3 104.7(12) . . . . ?
C00I C00J N0 C4 -47.3(14) . . . . ?
C00J N008 C00H C00F 173.7(17) . . . . ?
C00J N008 C00L C00M -173.4(12) . . . . ?
C00J N0 C3 C1 -176.2(10) . . . . ?
C00J N0 C4 C00N 175.6(8) . . . . ?
C00L N008 C00H C00F 38(3) . . . . ?
C00L N008 C00J C00I -93.3(17) . . . . ?
N0 C4 C00N C2 -7.3(15) . . . . ?
C1 C2 C00N C4 -7.1(17) . . . . ?
C2 C1 C3 N0 10.2(19) . . . . ?
C2 C2 C00N C4 170.5(16) 7_556 . . . ?
C3 N0 C4 C00N 22.8(18) . . . . ?
C3 C1 C2 C2 -171.9(17) . . . 7_556 ?
C3 C1 C2 C00N 5.8(19) . . . . ?
C4 N0 C3 C1 -24(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.207
_oxdiff_exptl_absorpt_empirical_full_min 0.932
# start Validation Reply Form
_vrf_PLAT420_co-eu               
;
PROBLEM: D-H Without Acceptor       O004 --H00A    
RESPONSE: These  alerts  are  all  related  to  the  hydrogen  atoms  of lattice
water molecules.  It  is  very  difficult  to  locate  hydrogen  atoms  accurately
using  X-ray  data because  these  atoms  have  low  scattering  power.
;
####################################################################### 
# 
# 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_co-eu-a
_database_code_depnum_ccdc_archive 'CCDC 2061512'
loop_
_audit_author_name
_audit_author_address
'Li menghua'
;Fuzhou University
China
;
_audit_update_record             
;
2021-03-05 deposited with the CCDC.	2021-03-11 downloaded from the CCDC.
;
_audit_creation_date             2021-03-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H19.568 Co Eu N8 O8, 3(H2 O), C H4 O'
_chemical_formula_sum            'C21 H29.57 Co Eu N8 O12'
_chemical_formula_weight         796.98
_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                   19.8265(12)
_cell_length_b                   8.1126(4)
_cell_length_c                   20.1853(9)
_cell_angle_alpha                90
_cell_angle_beta                 108.862(6)
_cell_angle_gamma                90
_cell_volume                     3072.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5127
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.9550
_cell_measurement_theta_min      2.1210
_shelx_estimated_absorpt_T_max   0.726
_shelx_estimated_absorpt_T_min   0.571
_exptl_absorpt_coefficient_mu    2.632
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79347
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1590
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2015
_diffrn_reflns_av_unetI/netI     0.0913
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            12033
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.025
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_min         2.132
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -78.00 -52.00   0.50   10.00    --   -9.60  39.00 -96.00   52
  2  ω     53.00  92.00   0.50   10.00    --    5.00   0.00 -30.00   78
  3  ω     -7.00  19.00   0.50   10.00    --    5.00   0.00 -30.00   52
  4  ω    -68.00 -37.00   0.50   10.00    --    5.00   0.00 -30.00   62
  5  ω     53.00  80.00   0.50   10.00    --   -9.60  43.00  30.00   54
  6  ω    -99.00  49.00   0.50   10.00    --   -9.60  43.00  30.00  296
  7  ω    -17.00  74.00   0.50   10.00    --   -9.60  39.00 -96.00  182
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0007206000
_diffrn_orient_matrix_UB_12      0.0552920000
_diffrn_orient_matrix_UB_13      0.0274236000
_diffrn_orient_matrix_UB_21      0.0376845000
_diffrn_orient_matrix_UB_22      -0.0062446000
_diffrn_orient_matrix_UB_23      0.0131699000
_diffrn_orient_matrix_UB_31      0.0028986000
_diffrn_orient_matrix_UB_32      0.0674423000
_diffrn_orient_matrix_UB_33      -0.0213018000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2284
_reflns_number_total             2715
_reflns_odcompleteness_completeness 99.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.470
_refine_diff_density_min         -1.164
_refine_diff_density_rms         0.196
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     279
_refine_ls_number_reflns         2715
_refine_ls_number_restraints     165
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0562
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0617P)²+28.1516P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1234
_refine_ls_wR_factor_ref         0.1386
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H00f,H00g,H00K} of C00K
 At 1.5 times of:
  All O(H) groups, {H4a,H4b,H4c} of C4, All O(H,H) groups
2. Restrained distances
 O-C4
 1.45 with sigma of 0.01
 N00C-C00M \\sim N00D-C00N \\sim C00M-C00L \\sim C3-C00N \\sim C00L-C00F \\sim
C3-C00G \\sim C00F-C00E
 \\sim C5-C00G \\sim C00I-C00E \\sim C2-C5 \\sim N00C-C00I \\sim N00D-C2 \\sim
N00C-C00K \\sim N00D-C00K
 with sigma of 0.02
 Eu01-O00D \\sim Eu01-O00E
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(N00C) \\sim Ueq, Uanis(C00E) \\sim Ueq, Uanis(C00F) \\sim Ueq,
Uanis(C00I) \\sim Ueq, Uanis(C00L) \\sim Ueq, Uanis(C00M) \\sim Ueq,
Uanis(N00D) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C00G) \\sim Ueq, Uanis(C2)
\\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C00N) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O00D) = Uanis(O00E)
4. Others
 Sof(H00K)=Sof(N00D)=Sof(C5)=Sof(H5)=Sof(C00G)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(H3)=
 Sof(C00N)=Sof(H00N)=1-FVAR(1)
 Sof(N00C)=Sof(C00E)=Sof(H00E)=Sof(C00F)=Sof(C00I)=Sof(H00I)=Sof(H00f)=
 Sof(H00g)=Sof(C00L)=Sof(H00L)=Sof(C00M)=Sof(H00M)=FVAR(1)
 Sof(O00E)=Sof(H00h)=Sof(H00j)=1-FVAR(2)
 Sof(O00D)=Sof(H00c)=Sof(H00d)=FVAR(2)
 Fixed Sof: O2(0.5) H2a(0.5) H2b(0.5) O(0.5) H(0.5) C4(0.5) H4a(0.5) H4b(0.5)
 H4c(0.5)
5.a Free rotating group:
 O009(H00o,H00p), O2(H2a,H2b)
5.b Rotating group:
 O006(H00a,H00b), O00D(H00c,H00d), O00E(H00h,H00j)
5.c Secondary CH2 refined with riding coordinates:
 C00K(H00f,H00g)
5.d Aromatic/amide H refined with riding coordinates:
 C00E(H00E), C00I(H00I), C00K(H00K), C00L(H00L), C00M(H00M), C5(H5), C2(H2),
 C3(H3), C00N(H00N)
5.e Tetrahedral OH refined with riding coordinates:
 O(H)
5.f Idealised Me refined as rotating group:
 C4(H4a,H4b,H4c)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Eu01 Eu 0.500000 0.28731(6) 0.250000 0.0295(2) Uani 1 2 d DS T P . .
Co02 Co 0.500000 0.000000 0.500000 0.0265(3) Uani 1 2 d S . P . .
N003 N 0.5082(4) 0.1705(9) 0.3684(3) 0.0393(16) Uani 1 1 d . . . . .
O004 O 0.3362(4) 0.6111(8) 0.2739(3) 0.0632(19) Uani 1 1 d . . . . .
N005 N 0.5143(5) 0.3312(10) 0.5739(4) 0.0531(19) Uani 1 1 d . . . . .
O006 O 0.4174(3) 0.0613(8) 0.2249(3) 0.0552(16) Uani 1 1 d . . . . .
H00A H 0.402710 0.045012 0.259797 0.083 Uiso 1 1 d R U . . .
H00B H 0.439327 -0.027681 0.221836 0.083 Uiso 1 1 d R U . . .
C007 C 0.5098(5) 0.2062(9) 0.5469(4) 0.0337(17) Uani 1 1 d . . . . .
O009 O 0.3313(5) 0.9464(9) 0.2987(3) 0.0674(19) Uani 1 1 d G . . . .
H00O H 0.344238 0.985716 0.339923 0.101 Uiso 1 1 d G U . . .
H00P H 0.327995 0.843120 0.304280 0.101 Uiso 1 1 d G U . . .
N00A N 0.6605(5) -0.0529(11) 0.5486(4) 0.057(2) Uani 1 1 d . . . . .
C00B C 0.6001(5) -0.0294(9) 0.5302(4) 0.0365(19) Uani 1 1 d . . . . .
N00C N 0.3173(8) 0.497(2) 0.3947(7) 0.040(4) Uani 0.78(5) 1 d D U P A 1
O00D O 0.531(4) 0.523(4) 0.326(2) 0.051(7) Uani 0.37(8) 1 d D . P B 1
H00C H 0.581982 0.544245 0.347131 0.077 Uiso 0.37(8) 1 d R U P B 1
H00D H 0.517454 0.514981 0.367586 0.077 Uiso 0.37(8) 1 d R U P B 1
C00E C 0.3332(10) 0.629(2) 0.5038(10) 0.036(4) Uani 0.78(5) 1 d D U P A 1
H00E H 0.362400 0.654606 0.548821 0.043 Uiso 0.78(5) 1 calc R U P A 1
C00F C 0.2668(8) 0.701(2) 0.4767(7) 0.031(4) Uani 0.78(5) 1 d D U P A 1
O00G O 0.3938(4) 0.3856(9) 0.2616(3) 0.065(2) Uani 1 1 d . . . . .
C00H C 0.5051(4) 0.1067(9) 0.4184(3) 0.0306(16) Uani 1 1 d . . . . .
C00I C 0.3557(10) 0.518(2) 0.4633(7) 0.038(4) Uani 0.78(5) 1 d D U P A 1
H00I H 0.397262 0.458291 0.483125 0.046 Uiso 0.78(5) 1 calc R U P A 1
C00J C 0.3594(5) 0.4743(12) 0.2919(5) 0.050(2) Uani 1 1 d . . . . .
C00K C 0.3462(6) 0.3913(12) 0.3538(5) 0.061(3) Uani 1 1 d D . . . .
H00F H 0.313613 0.300014 0.336741 0.073 Uiso 0.78(5) 1 calc R U P A 1
H00G H 0.390843 0.346100 0.383990 0.073 Uiso 0.78(5) 1 calc R U P A 1
H00K H 0.351080 0.277512 0.358365 0.073 Uiso 0.22(5) 1 calc R U P A 2
C00L C 0.2281(8) 0.682(3) 0.4063(7) 0.051(4) Uani 0.78(5) 1 d D U P A 1
H00L H 0.184925 0.736560 0.386688 0.061 Uiso 0.78(5) 1 calc R U P A 1
C00M C 0.2552(7) 0.581(3) 0.3660(9) 0.053(4) Uani 0.78(5) 1 d D U P A 1
H00M H 0.230576 0.569996 0.318450 0.064 Uiso 0.78(5) 1 calc R U P A 1
O2 O 0.7774(10) -0.254(3) 0.5479(11) 0.089(5) Uani 0.5 1 d G . P . .
H2A H 0.754932 -0.313202 0.568509 0.133 Uiso 0.5 1 d G U P . .
H2B H 0.748942 -0.184264 0.521749 0.133 Uiso 0.5 1 d G U P . .
O O 0.6214(9) 0.7574(16) 0.3309(8) 0.067(4) Uani 0.5 1 d D . P . .
H H 0.590987 0.703337 0.301802 0.100 Uiso 0.5 1 calc R U P . .
N00D N 0.327(3) 0.479(11) 0.404(3) 0.07(3) Uani 0.22(5) 1 d D U P A 2
C5 C 0.321(3) 0.601(9) 0.506(4) 0.04(2) Uani 0.22(5) 1 d D U P A 2
H5 H 0.338587 0.574922 0.552948 0.044 Uiso 0.22(5) 1 calc R U P A 2
C00G C 0.256(3) 0.678(8) 0.484(2) 0.031(19) Uani 0.22(5) 1 d D U P A 2
C2 C 0.364(4) 0.555(10) 0.467(3) 0.06(3) Uani 0.22(5) 1 d D U P A 2
H2 H 0.412833 0.574174 0.480992 0.074 Uiso 0.22(5) 1 calc R U P A 2
C3 C 0.223(2) 0.620(7) 0.416(2) 0.027(12) Uani 0.22(5) 1 d D U P A 2
H3 H 0.176106 0.651057 0.393917 0.033 Uiso 0.22(5) 1 calc R U P A 2
C00N C 0.255(2) 0.520(6) 0.380(2) 0.026(12) Uani 0.22(5) 1 d D U P A 2
H00N H 0.227420 0.477055 0.337154 0.031 Uiso 0.22(5) 1 calc R U P A 2
C4 C 0.6848(10) 0.653(3) 0.3635(9) 0.081(8) Uani 0.5 1 d D . P . .
H4A H 0.688686 0.571342 0.330418 0.122 Uiso 0.5 1 calc R U P . .
H4B H 0.679936 0.599100 0.404067 0.122 Uiso 0.5 1 calc R U P . .
H4C H 0.726817 0.720339 0.377017 0.122 Uiso 0.5 1 calc R U P . .
O00E O 0.547(3) 0.492(4) 0.3390(17) 0.051(7) Uani 0.63(8) 1 d D . P B 2
H00H H 0.514297 0.525535 0.355029 0.077 Uiso 0.63(8) 1 d R U P B 2
H00J H 0.559066 0.578762 0.321196 0.077 Uiso 0.63(8) 1 d R U P 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
Eu01 N003 2.527(6) . ?
Eu01 N003 2.527(6) 2_655 ?
Eu01 O006 2.401(6) 2_655 ?
Eu01 O006 2.401(6) . ?
Eu01 H00A 2.8054 . ?
Eu01 H00A 2.81(2) 2_655 ?
Eu01 H00B 2.803(10) 2_655 ?
Eu01 H00B 2.8032 . ?
Eu01 O00D 2.401(15) 2_655 ?
Eu01 O00D 2.401(15) . ?
Eu01 O00G 2.332(7) . ?
Eu01 O00G 2.332(7) 2_655 ?
Eu01 O00E 2.402(10) . ?
Eu01 O00E 2.402(10) 2_655 ?
Eu01 H00H 2.81(4) 2_655 ?
Eu01 H00H 2.8145 . ?
Eu01 H00J 2.8176 . ?
Eu01 H00J 2.82(3) 2_655 ?
Co02 C007 1.901(8) 5_656 ?
Co02 C007 1.901(8) . ?
Co02 C00B 1.893(9) . ?
Co02 C00B 1.893(9) 5_656 ?
Co02 C00H 1.892(7) 5_656 ?
Co02 C00H 1.892(7) . ?
N003 C00H 1.153(9) . ?
O004 C00J 1.212(11) . ?
N005 C007 1.141(10) . ?
O006 H00A 0.8548 . ?
O006 H00B 0.8557 . ?
O009 H00O 0.8496 . ?
O009 H00P 0.8507 . ?
N00A C00B 1.150(11) . ?
N00C C00I 1.359(12) . ?
N00C C00K 1.431(10) . ?
N00C C00M 1.362(12) . ?
O00D H00C 0.9759 . ?
O00D H00D 0.9715 . ?
C00E H00E 0.9300 . ?
C00E C00F 1.381(11) . ?
C00E C00I 1.380(12) . ?
C00F C00F 1.54(3) 7_566 ?
C00F C00L 1.388(11) . ?
O00G C00J 1.276(11) . ?
C00I H00I 0.9300 . ?
C00J C00K 1.515(13) . ?
C00K H00F 0.9700 . ?
C00K H00G 0.9700 . ?
C00K H00K 0.9300 . ?
C00K N00D 1.395(16) . ?
C00L H00L 0.9300 . ?
C00L C00M 1.380(12) . ?
C00M H00M 0.9300 . ?
O2 H2A 0.8501 . ?
O2 H2B 0.8500 . ?
O H 0.8200 . ?
O C4 1.482(10) . ?
N00D C2 1.380(16) . ?
N00D C00N 1.382(16) . ?
C5 H5 0.9300 . ?
C5 C00G 1.381(16) . ?
C5 C2 1.381(16) . ?
C00G C00G 1.39(11) 7_566 ?
C00G C3 1.385(16) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C3 C00N 1.383(15) . ?
C00N H00N 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
O00E H00H 0.8581 . ?
O00E H00J 0.8584 . ?

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
N003 Eu01 N003 135.9(3) 2_655 . ?
N003 Eu01 H00A 60.4(17) 2_655 2_655 ?
N003 Eu01 H00A 88.2 2_655 . ?
N003 Eu01 H00A 88.2(15) . 2_655 ?
N003 Eu01 H00A 60.4 . . ?
N003 Eu01 H00B 64.8(18) . 2_655 ?
N003 Eu01 H00B 75.0 . . ?
N003 Eu01 H00B 64.8 2_655 . ?
N003 Eu01 H00B 75.1(17) 2_655 2_655 ?
N003 Eu01 H00H 65.5 . . ?
N003 Eu01 H00H 158.4(9) . 2_655 ?
N003 Eu01 H00H 65.5(9) 2_655 2_655 ?
N003 Eu01 H00H 158.4 2_655 . ?
N003 Eu01 H00J 133(2) . 2_655 ?
N003 Eu01 H00J 86.8(18) 2_655 2_655 ?
N003 Eu01 H00J 86.8 . . ?
N003 Eu01 H00J 133.3 2_655 . ?
O006 Eu01 N003 75.2(2) 2_655 2_655 ?
O006 Eu01 N003 71.5(2) 2_655 . ?
O006 Eu01 N003 71.5(2) . 2_655 ?
O006 Eu01 N003 75.2(2) . . ?
O006 Eu01 O006 80.4(3) 2_655 . ?
O006 Eu01 H00A 16.7 . . ?
O006 Eu01 H00A 83.6(6) . 2_655 ?
O006 Eu01 H00A 16.7(16) 2_655 2_655 ?
O006 Eu01 H00A 83.6 2_655 . ?
O006 Eu01 H00B 16.7 . . ?
O006 Eu01 H00B 64.2 2_655 . ?
O006 Eu01 H00B 16.7(6) 2_655 2_655 ?
O006 Eu01 H00B 64.2(3) . 2_655 ?
O006 Eu01 O00D 139(2) . . ?
O006 Eu01 O00D 117.2(14) 2_655 . ?
O006 Eu01 O00D 117.2(14) . 2_655 ?
O006 Eu01 O00D 139(2) 2_655 2_655 ?
O006 Eu01 O00E 107.2(12) . 2_655 ?
O006 Eu01 O00E 139.4(11) . . ?
O006 Eu01 O00E 139.4(11) 2_655 2_655 ?
O006 Eu01 O00E 107.2(12) 2_655 . ?
O006 Eu01 H00H 125.4 . . ?
O006 Eu01 H00H 118.0 2_655 . ?
O006 Eu01 H00H 125(2) 2_655 2_655 ?
O006 Eu01 H00H 118(2) . 2_655 ?
O006 Eu01 H00J 153.0 . . ?
O006 Eu01 H00J 113.0 2_655 . ?
O006 Eu01 H00J 113.0(19) . 2_655 ?
O006 Eu01 H00J 153(3) 2_655 2_655 ?
H00A Eu01 H00A 91.0 . 2_655 ?
H00A Eu01 H00B 27.8 2_655 2_655 ?
H00A Eu01 H00B 66.8 . 2_655 ?
H00A Eu01 H00B 27.8 . . ?
H00A Eu01 H00H 129.1 . 2_655 ?
H00A Eu01 H00H 109.4 . . ?
H00A Eu01 H00H 109.4 2_655 2_655 ?
H00A Eu01 H00J 137.2 2_655 2_655 ?
H00A Eu01 H00J 137.2 . . ?
H00A Eu01 H00J 116.2 . 2_655 ?
H00B Eu01 H00A 66.8 . 2_655 ?
H00B Eu01 H00B 48.5 . 2_655 ?
H00B Eu01 H00H 122.8 . 2_655 ?
H00B Eu01 H00H 135.3 2_655 2_655 ?
H00B Eu01 H00H 135.3 . . ?
H00B Eu01 H00J 161.6 2_655 2_655 ?
H00B Eu01 H00J 125.5 . 2_655 ?
H00B Eu01 H00J 161.6 . . ?
O00D Eu01 N003 145.6(18) . 2_655 ?
O00D Eu01 N003 145.6(18) 2_655 . ?
O00D Eu01 N003 76.9(15) . . ?
O00D Eu01 N003 76.9(15) 2_655 2_655 ?
O00D Eu01 H00A 123.7 . . ?
O00D Eu01 H00A 124(2) 2_655 2_655 ?
O00D Eu01 H00A 124.2 2_655 . ?
O00D Eu01 H00A 124(2) . 2_655 ?
O00D Eu01 H00B 149(3) 2_655 2_655 ?
O00D Eu01 H00B 126.3 2_655 . ?
O00D Eu01 H00B 149.4 . . ?
O00D Eu01 H00B 126.3(17) . 2_655 ?
O00D Eu01 O00D 74(3) 2_655 . ?
O00D Eu01 O00E 10.2(17) 2_655 2_655 ?
O00D Eu01 O00E 83.2(15) . 2_655 ?
O00D Eu01 H00H 82.8(16) . 2_655 ?
O00D Eu01 H00H 14(3) 2_655 2_655 ?
O00D Eu01 H00J 68.5(15) . 2_655 ?
O00D Eu01 H00J 14(4) 2_655 2_655 ?
O00G Eu01 N003 116.0(2) 2_655 . ?
O00G Eu01 N003 79.5(2) 2_655 2_655 ?
O00G Eu01 N003 116.0(2) . 2_655 ?
O00G Eu01 N003 79.5(2) . . ?
O00G Eu01 O006 144.7(2) . 2_655 ?
O00G Eu01 O006 72.9(3) . . ?
O00G Eu01 O006 144.7(2) 2_655 . ?
O00G Eu01 O006 72.9(3) 2_655 2_655 ?
O00G Eu01 H00A 155.5(2) . 2_655 ?
O00G Eu01 H00A 64.5 . . ?
O00G Eu01 H00A 155.5 2_655 . ?
O00G Eu01 H00A 64.5(2) 2_655 2_655 ?
O00G Eu01 H00B 89.4 . . ?
O00G Eu01 H00B 89.4(8) 2_655 2_655 ?
O00G Eu01 H00B 129.3 2_655 . ?
O00G Eu01 H00B 129.3(11) . 2_655 ?
O00G Eu01 O00D 74(2) . . ?
O00G Eu01 O00D 75(2) 2_655 . ?
O00G Eu01 O00D 74(2) 2_655 2_655 ?
O00G Eu01 O00D 75(2) . 2_655 ?
O00G Eu01 O00G 140.0(4) 2_655 . ?
O00G Eu01 O00E 72.2(12) 2_655 . ?
O00G Eu01 O00E 80.4(12) 2_655 2_655 ?
O00G Eu01 O00E 80.4(12) . . ?
O00G Eu01 O00E 72.2(12) . 2_655 ?
O00G Eu01 H00H 88(3) . 2_655 ?
O00G Eu01 H00H 88.1 2_655 . ?
O00G Eu01 H00H 64.2 . . ?
O00G Eu01 H00H 64(3) 2_655 2_655 ?
O00G Eu01 H00J 84(3) 2_655 2_655 ?
O00G Eu01 H00J 61.6 2_655 . ?
O00G Eu01 H00J 62(3) . 2_655 ?
O00G Eu01 H00J 84.4 . . ?
O00E Eu01 N003 70.2(10) . . ?
O00E Eu01 N003 149.0(11) 2_655 . ?
O00E Eu01 H00A 115.3 2_655 . ?
O00E Eu01 H00A 122.8 . . ?
O00E Eu01 H00B 116.2 2_655 . ?
O00E Eu01 H00B 145.0 . . ?
O00E Eu01 O00E 93(2) 2_655 . ?
O00E Eu01 H00H 16.6 . . ?
O00E Eu01 H00H 90.5 2_655 . ?
O00E Eu01 H00J 16.6 . . ?
O00E Eu01 H00J 78.4 2_655 . ?
H00H Eu01 H00J 27.8 . . ?
C007 Co02 C007 180.0 . 5_656 ?
C00B Co02 C007 91.3(3) 5_656 5_656 ?
C00B Co02 C007 88.7(3) 5_656 . ?
C00B Co02 C007 91.3(3) . . ?
C00B Co02 C007 88.7(3) . 5_656 ?
C00B Co02 C00B 180.0 . 5_656 ?
C00H Co02 C007 90.3(3) 5_656 5_656 ?
C00H Co02 C007 90.3(3) . . ?
C00H Co02 C007 89.7(3) . 5_656 ?
C00H Co02 C007 89.7(3) 5_656 . ?
C00H Co02 C00B 90.4(3) 5_656 . ?
C00H Co02 C00B 89.6(3) . . ?
C00H Co02 C00B 90.4(3) . 5_656 ?
C00H Co02 C00B 89.6(3) 5_656 5_656 ?
C00H Co02 C00H 180.0 . 5_656 ?
C00H N003 Eu01 172.1(6) . . ?
Eu01 O006 H00A 109.6 . . ?
Eu01 O006 H00B 109.4 . . ?
H00A O006 H00B 104.2 . . ?
N005 C007 Co02 178.5(8) . . ?
H00O O009 H00P 104.6 . . ?
N00A C00B Co02 177.7(8) . . ?
C00I N00C C00K 117.9(13) . . ?
C00I N00C C00M 120.0(10) . . ?
C00M N00C C00K 122.0(12) . . ?
Eu01 O00D H00C 116.0 . . ?
Eu01 O00D H00D 114.4 . . ?
H00C O00D H00D 99.4 . . ?
C00F C00E H00E 120.4 . . ?
C00I C00E H00E 120.4 . . ?
C00I C00E C00F 119.3(18) . . ?
C00E C00F C00F 121.5(14) . 7_566 ?
C00E C00F C00L 119.9(15) . . ?
C00L C00F C00F 118.6(14) . 7_566 ?
C00J O00G Eu01 151.7(7) . . ?
N003 C00H Co02 179.5(7) . . ?
N00C C00I C00E 120.3(15) . . ?
N00C C00I H00I 119.8 . . ?
C00E C00I H00I 119.8 . . ?
O004 C00J O00G 125.7(9) . . ?
O004 C00J C00K 120.2(9) . . ?
O00G C00J C00K 114.1(8) . . ?
N00C C00K C00J 114.7(11) . . ?
N00C C00K H00F 108.6 . . ?
N00C C00K H00G 108.6 . . ?
C00J C00K H00F 108.6 . . ?
C00J C00K H00G 108.6 . . ?
C00J C00K H00K 118.8 . . ?
H00F C00K H00G 107.6 . . ?
N00D C00K C00J 122(4) . . ?
N00D C00K H00K 118.8 . . ?
C00F C00L H00L 120.8 . . ?
C00M C00L C00F 118.5(14) . . ?
C00M C00L H00L 120.8 . . ?
N00C C00M C00L 121.2(12) . . ?
N00C C00M H00M 119.4 . . ?
C00L C00M H00M 119.4 . . ?
H2A O2 H2B 109.5 . . ?
C4 O H 109.5 . . ?
C2 N00D C00K 135(5) . . ?
C2 N00D C00N 114(4) . . ?
C00N N00D C00K 111(3) . . ?
C00G C5 H5 115.6 . . ?
C00G C5 C2 129(7) . . ?
C2 C5 H5 115.6 . . ?
C5 C00G C3 104(6) . . ?
N00D C2 C5 113(6) . . ?
N00D C2 H2 123.4 . . ?
C5 C2 H2 123.4 . . ?
C00G C3 H3 117.5 . . ?
C00N C3 C00G 125(4) . . ?
C00N C3 H3 117.5 . . ?
N00D C00N C3 123(3) . . ?
N00D C00N H00N 118.4 . . ?
C3 C00N H00N 118.4 . . ?
O2 C4 H4A 149.4 7_656 . ?
O2 C4 H4B 60.5 7_656 . ?
O2 C4 H4C 56.0 7_656 . ?
O C4 O2 101.0(14) . 7_656 ?
O C4 H4A 109.5 . . ?
O C4 H4B 109.5 . . ?
O C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Eu01 O00E H00H 110.1 . . ?
Eu01 O00E H00J 110.3 . . ?
H00H O00E H00J 104.1 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu01 O00G C00J O004 95.6(15) . . . . ?
Eu01 O00G C00J C00K -86.7(15) . . . . ?
O004 C00J C00K N00C -11.1(16) . . . . ?
O004 C00J C00K N00D -19(3) . . . . ?
C00E C00F C00L C00M 5(3) . . . . ?
C00F C00E C00I N00C 9(3) . . . . ?
C00F C00F C00L C00M -174(2) 7_566 . . . ?
C00F C00L C00M N00C 2(3) . . . . ?
O00G C00J C00K N00C 171.0(11) . . . . ?
O00G C00J C00K N00D 163(3) . . . . ?
C00I N00C C00K C00J -119.9(18) . . . . ?
C00I N00C C00M C00L -3(3) . . . . ?
C00I C00E C00F C00F 169(3) . . . 7_566 ?
C00I C00E C00F C00L -10(3) . . . . ?
C00J C00K N00D C2 -89(12) . . . . ?
C00J C00K N00D C00N 79(8) . . . . ?
C00K N00C C00I C00E 174.9(19) . . . . ?
C00K N00C C00M C00L 179.8(16) . . . . ?
C00K N00D C2 C5 -168(10) . . . . ?
C00K N00D C00N C3 -174(5) . . . . ?
C00M N00C C00I C00E -2(3) . . . . ?
C00M N00C C00K C00J 57(2) . . . . ?
C5 C00G C3 C00N -6(8) . . . . ?
C00G C5 C2 N00D -46(13) . . . . ?
C00G C00G C3 C00N 151(9) 7_566 . . . ?
C00G C3 C00N N00D -7(9) . . . . ?
C2 N00D C00N C3 -3(11) . . . . ?
C2 C5 C00G C00G -126(12) . . . 7_566 ?
C2 C5 C00G C3 34(10) . . . . ?
C00N N00D C2 C5 24(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.720
_oxdiff_exptl_absorpt_empirical_full_min 0.763
_vrf_RINTA01_co-eu-a             
;
PROBLEM: The value of Rint is greater than 0.18
Rint given 0.201
RESPONSE: The high R factor results from the weak diffraction, and the 
inclusion of reflections that are essentially unobserved. The crystals diffracted the 
samples after irradiation extremely weakly and multiple attempts were made to 
obtain better diffracting crystals.  However, all yielded similiar problems due to 
weak diffraction.
;
