# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_eucoobpy2
_database_code_depnum_ccdc_archive 'CCDC 2083046'
loop_
_audit_author_name
_audit_author_address
'Wang Yi wen '
;FuZhou University
China
;
_audit_update_record             
;
2021-05-11 deposited with the CCDC.	2021-07-28 downloaded from the CCDC.
;
_audit_creation_date             2021-03-04
_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         'C34 H30 Eu N6 O13, N O3, 3(H2 O)'
_chemical_formula_sum            'C34 H36 Eu N7 O19'
_chemical_formula_weight         998.66
_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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6395(3)
_cell_length_b                   13.2614(4)
_cell_length_c                   14.0523(4)
_cell_angle_alpha                94.619(2)
_cell_angle_beta                 90.613(2)
_cell_angle_gamma                93.445(2)
_cell_volume                     1972.45(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8703
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.3700
_cell_measurement_theta_min      1.9180
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.967
_exptl_absorpt_coefficient_mu    1.680
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85369
_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 whiteish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_unetI/netI     0.0510
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24857
_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         1.918
_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     69.00  94.00   0.50   10.00    --    5.00  55.00 -30.00   50
  2  ω     46.00  72.00   0.50   10.00    --    5.00  29.00-120.00   52
  3  ω    -22.00  80.00   0.50   10.00    --   -9.60  55.00 -30.00  204
  4  ω    -25.00  79.00   0.50   10.00    --   -9.60  55.00  90.00  208
  5  ω      0.00  80.00   0.50   10.00    --   -9.60  55.00-150.00  160
  6  ω    -98.00  65.00   0.50   10.00    --   -9.60  43.00   0.00  326
  7  ω    -81.00 -54.00   0.50   10.00    --   -9.60  55.00  90.00   54
  8  ω    -75.00 -50.00   0.50   10.00    --   -9.60  55.00 -30.00   50
;
_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      0.0159969000
_diffrn_orient_matrix_UB_12      0.0368088000
_diffrn_orient_matrix_UB_13      -0.0324790000
_diffrn_orient_matrix_UB_21      0.0532320000
_diffrn_orient_matrix_UB_22      0.0174704000
_diffrn_orient_matrix_UB_23      0.0288614000
_diffrn_orient_matrix_UB_31      0.0370422000
_diffrn_orient_matrix_UB_32      -0.0350732000
_diffrn_orient_matrix_UB_33      -0.0260229000
_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                5894
_reflns_number_total             6946
_reflns_odcompleteness_completeness 99.32
_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.
 
 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         0.482
_refine_diff_density_min         -0.487
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     566
_refine_ls_number_reflns         6946
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0286
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0234P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0538
_refine_ls_wR_factor_ref         0.0564
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 Eu01-H8A \\sim Eu01-H8B
 with sigma of 0.02
 Eu01-H14A \\sim Eu01-H14B
 with sigma of 0.02
3. Rigid bond restraints
 O13, O11, O12, N3
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4.a Free rotating group:
 O8(H8A,H8B), O14(H14A,H14B), O3(H3A,H3B), O2(H2A,H2B), O1(H1A,H1B)
4.b Rotating group:
 O7(H7A,H7B)
4.c Aromatic/amide H refined with riding coordinates:
 C34(H34), C26(H26), C13(H13), C30(H30), C25(H25), C32(H32), C9(H9), C4(H4),
 C31(H31), C5(H5), C20(H20), C7(H7), C27(H27), C10(H10), C8(H8), C11(H11),
 C28(H28), C21(H21), C22(H22), C17(H17), C19(H19), C15(H15), C18(H18), C16(H16)
;
_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 0.64175(2) 0.17437(2) 0.36525(2) 0.02751(6) Uani 1 1 d D . . . .
O9 O 0.36797(19) 0.13751(15) 0.54616(14) 0.0402(5) Uani 1 1 d . . . . .
O7 O 0.70497(18) 0.00290(14) 0.32062(14) 0.0363(5) Uani 1 1 d . . . . .
H7A H 0.785318 0.003103 0.319911 0.054 Uiso 1 1 d R U . . .
H7B H 0.683758 -0.035847 0.364281 0.054 Uiso 1 1 d R U . . .
O16 O 0.8566(2) 0.41405(15) 0.30515(15) 0.0426(5) Uani 1 1 d . . . . .
O8 O 0.47133(19) 0.04830(15) 0.38875(15) 0.0386(5) Uani 1 1 d G . . . .
H8A H 0.427248 0.046971 0.438734 0.058 Uiso 1 1 d DG U . . .
H8B H 0.453497 -0.008697 0.357966 0.058 Uiso 1 1 d DG U . . .
O15 O 0.7297(2) 0.34012(15) 0.40637(15) 0.0436(5) Uani 1 1 d . . . . .
N4 N 0.8569(2) 0.74905(17) 0.66672(16) 0.0281(5) Uani 1 1 d . . . . .
N5 N 0.3904(2) 0.52328(17) 0.85282(16) 0.0285(5) Uani 1 1 d . . . . .
O13 O 0.5311(2) 0.12576(18) 0.20643(16) 0.0539(6) Uani 1 1 d . U . . .
N7 N 0.3998(3) 0.8745(2) 1.2560(2) 0.0450(7) Uani 1 1 d . . . . .
O10 O 0.5086(2) 0.24111(16) 0.48227(16) 0.0536(7) Uani 1 1 d . . . . .
O14 O 0.7727(2) 0.22060(17) 0.23522(16) 0.0538(6) Uani 1 1 d G . . . .
H14A H 0.810495 0.278283 0.230469 0.081 Uiso 1 1 d DG U . . .
H14B H 0.783624 0.187997 0.181677 0.081 Uiso 1 1 d DG U . . .
O12 O 0.4841(2) 0.26693(18) 0.27676(19) 0.0569(6) Uani 1 1 d . U . . .
N6 N 0.8177(2) 1.1069(2) 1.06130(19) 0.0428(7) Uani 1 1 d . . . . .
O19 O 1.1908(2) 0.3324(2) -0.01178(18) 0.0644(7) Uani 1 1 d . . . . .
O17 O 1.0199(2) 0.3823(2) 0.05315(19) 0.0656(7) Uani 1 1 d . . . . .
O3 O 1.0164(3) 0.55298(19) 0.2222(2) 0.0776(9) Uani 1 1 d G . . . .
H3A H 0.970830 0.505510 0.243993 0.116 Uiso 1 1 d G U . . .
H3B H 1.068289 0.522685 0.186150 0.116 Uiso 1 1 d G U . . .
O5 O 0.7214(3) 0.1168(2) 0.51772(18) 0.0721(8) Uani 1 1 d . . . . .
O18 O 1.1991(2) 0.4422(2) 0.11092(19) 0.0625(7) Uani 1 1 d . . . . .
N3 N 0.4665(3) 0.2012(2) 0.2069(2) 0.0491(7) Uani 1 1 d . U . . .
C3 C 0.8209(2) 0.5017(2) 0.4573(2) 0.0273(7) Uani 1 1 d . . . . .
O11 O 0.3900(2) 0.2118(2) 0.1438(2) 0.0815(9) Uani 1 1 d . U . . .
C6 C 0.8454(2) 0.6648(2) 0.5933(2) 0.0286(7) Uani 1 1 d . . . . .
C12 C 0.8540(2) 0.8969(2) 0.8164(2) 0.0283(7) Uani 1 1 d . . . . .
C34 C 0.3450(3) 0.2818(2) 0.7039(2) 0.0336(7) Uani 1 1 d . . . . .
H34 H 0.304409 0.218136 0.707175 0.040 Uiso 1 1 calc R U . . .
C33 C 0.4147(3) 0.3020(2) 0.6238(2) 0.0288(7) Uani 1 1 d . . . . .
C23 C 0.3910(3) 0.7307(2) 1.0994(2) 0.0310(7) Uani 1 1 d . . . . .
C14 C 0.8421(2) 0.9703(2) 0.9008(2) 0.0292(7) Uani 1 1 d . . . . .
C1 C 0.8014(3) 0.4116(2) 0.3835(2) 0.0304(7) Uani 1 1 d . . . . .
C26 C 0.2803(3) 0.5421(2) 0.8963(2) 0.0315(7) Uani 1 1 d . . . . .
H26 H 0.205508 0.510452 0.871136 0.038 Uiso 1 1 calc R U . . .
C29 C 0.3947(3) 0.4491(2) 0.7714(2) 0.0294(7) Uani 1 1 d . . . . .
C13 C 0.8103(3) 0.9142(2) 0.7262(2) 0.0340(7) Uani 1 1 d . . . . .
H13 H 0.780665 0.976885 0.715428 0.041 Uiso 1 1 calc R U . . .
C30 C 0.3353(3) 0.3546(2) 0.7781(2) 0.0330(7) Uani 1 1 d . . . . .
H30 H 0.289609 0.340465 0.831992 0.040 Uiso 1 1 calc R U . . .
C25 C 0.2778(3) 0.6071(2) 0.9767(2) 0.0305(7) Uani 1 1 d . . . . .
H25 H 0.201715 0.618337 1.006507 0.037 Uiso 1 1 calc R U . . .
N1 N 1.1364(3) 0.3864(2) 0.0505(2) 0.0452(7) Uani 1 1 d . . . . .
C32 C 0.4704(3) 0.3984(2) 0.6176(2) 0.0328(7) Uani 1 1 d . . . . .
H32 H 0.515338 0.412972 0.563421 0.039 Uiso 1 1 calc R U . . .
O6 O 0.8695(2) 0.1580(2) 0.4232(3) 0.0715(8) Uani 1 1 d . . . . .
C24 C 0.3891(3) 0.6566(2) 1.0143(2) 0.0303(7) Uani 1 1 d . . . . .
C9 C 0.8103(3) 0.8395(2) 0.6528(2) 0.0350(7) Uani 1 1 d . . . . .
H9 H 0.778149 0.851157 0.593099 0.042 Uiso 1 1 calc R U . . .
C35 C 0.4314(3) 0.2203(2) 0.5453(2) 0.0327(7) Uani 1 1 d . . . . .
C4 C 0.8706(3) 0.5955(2) 0.4340(2) 0.0344(7) Uani 1 1 d . . . . .
H4 H 0.896243 0.603340 0.371867 0.041 Uiso 1 1 calc R U . . .
C31 C 0.4599(3) 0.4728(2) 0.6909(2) 0.0329(7) Uani 1 1 d . . . . .
H31 H 0.496088 0.537827 0.686225 0.039 Uiso 1 1 calc R U . . .
C5 C 0.8828(3) 0.6775(2) 0.5011(2) 0.0360(7) Uani 1 1 d . . . . .
H5 H 0.915612 0.740167 0.484540 0.043 Uiso 1 1 calc R U . . .
C20 C 0.3304(3) 0.7871(3) 1.2563(2) 0.0448(8) Uani 1 1 d . . . . .
H20 H 0.285124 0.774599 1.310832 0.054 Uiso 1 1 calc R U . . .
C7 C 0.7968(3) 0.5721(2) 0.6184(2) 0.0404(8) Uani 1 1 d . . . . .
H7 H 0.772107 0.564184 0.680806 0.048 Uiso 1 1 calc R U . . .
C27 C 0.4997(3) 0.5695(2) 0.8883(2) 0.0323(7) Uani 1 1 d . . . . .
H27 H 0.574960 0.556143 0.858039 0.039 Uiso 1 1 calc R U . . .
C10 C 0.9085(3) 0.7336(2) 0.7516(2) 0.0324(7) Uani 1 1 d . . . . .
H10 H 0.945459 0.672966 0.759384 0.039 Uiso 1 1 calc R U . . .
C8 C 0.7852(3) 0.4915(2) 0.5503(2) 0.0380(8) Uani 1 1 d . . . . .
H8 H 0.752697 0.428838 0.567256 0.046 Uiso 1 1 calc R U . . .
C11 C 0.9076(3) 0.8056(2) 0.8264(2) 0.0340(7) Uani 1 1 d . . . . .
H11 H 0.943312 0.793318 0.884678 0.041 Uiso 1 1 calc R U . . .
C28 C 0.5008(3) 0.6355(2) 0.9679(2) 0.0335(7) Uani 1 1 d . . . . .
H28 H 0.576742 0.666691 0.991461 0.040 Uiso 1 1 calc R U . . .
C21 C 0.4635(3) 0.8210(2) 1.0987(2) 0.0414(8) Uani 1 1 d . . . . .
H21 H 0.511157 0.834937 1.045742 0.050 Uiso 1 1 calc R U . . .
C22 C 0.3224(3) 0.7141(2) 1.1800(2) 0.0389(8) Uani 1 1 d . . . . .
H22 H 0.271658 0.654943 1.182974 0.047 Uiso 1 1 calc R U . . .
C17 C 0.8517(3) 1.1376(2) 0.9775(2) 0.0404(8) Uani 1 1 d . . . . .
H17 H 0.869412 1.206615 0.973339 0.049 Uiso 1 1 calc R U . . .
C19 C 0.4641(3) 0.8900(3) 1.1778(3) 0.0502(9) Uani 1 1 d . . . . .
H19 H 0.512245 0.950688 1.176046 0.060 Uiso 1 1 calc R U . . .
C15 C 0.8089(3) 0.9373(2) 0.9885(2) 0.0440(8) Uani 1 1 d . . . . .
H15 H 0.795172 0.868370 0.995610 0.053 Uiso 1 1 calc R U . . .
C18 C 0.8624(3) 1.0736(2) 0.8960(2) 0.0348(7) Uani 1 1 d . . . . .
H18 H 0.883226 1.099703 0.838399 0.042 Uiso 1 1 calc R U . . .
N2 N 0.8362(5) 0.1260(3) 0.5011(3) 0.0817(12) Uani 1 1 d . . . . .
C16 C 0.7962(3) 1.0072(3) 1.0653(2) 0.0502(9) Uani 1 1 d . . . . .
H16 H 0.771349 0.983601 1.123107 0.060 Uiso 1 1 calc R U . . .
O4 O 0.9157(5) 0.1033(4) 0.5575(4) 0.181(2) Uani 1 1 d . . . . .
O2 O 0.9638(3) -0.2572(2) 0.1787(2) 0.0741(8) Uani 1 1 d G . . . .
H2A H 0.990144 -0.310452 0.199881 0.111 Uiso 1 1 d G U . . .
H2B H 0.930533 -0.277245 0.124673 0.111 Uiso 1 1 d G U . . .
O1 O 0.9267(3) -0.0792(2) 0.2873(2) 0.0748(8) Uani 1 1 d G . . . .
H1A H 0.919811 -0.141155 0.265854 0.112 Uiso 1 1 d G U . . .
H1B H 0.974014 -0.078436 0.336484 0.112 Uiso 1 1 d G 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 O7 2.4454(18) . ?
Eu01 O8 2.4350(19) . ?
Eu01 O15 2.362(2) . ?
Eu01 O13 2.531(2) . ?
Eu01 O10 2.336(2) . ?
Eu01 O14 2.406(2) . ?
Eu01 O12 2.513(2) . ?
Eu01 O5 2.489(3) . ?
Eu01 O6 2.575(3) . ?
O9 C35 1.255(3) . ?
O7 H7A 0.8549 . ?
O7 H7B 0.8551 . ?
O16 C1 1.255(3) . ?
O8 H8A 0.8496 . ?
O8 H8B 0.8502 . ?
O15 C1 1.246(3) . ?
N4 C6 1.457(3) . ?
N4 C9 1.353(4) . ?
N4 C10 1.343(4) . ?
N5 C26 1.355(3) . ?
N5 C29 1.451(3) . ?
N5 C27 1.352(3) . ?
O13 N3 1.247(4) . ?
N7 C20 1.336(4) . ?
N7 C19 1.324(4) . ?
O10 C35 1.251(3) . ?
O14 H14A 0.8505 . ?
O14 H14B 0.8498 . ?
O12 N3 1.264(4) . ?
N6 C17 1.323(4) . ?
N6 C16 1.333(4) . ?
O19 N1 1.254(3) . ?
O17 N1 1.239(3) . ?
O3 H3A 0.8499 . ?
O3 H3B 0.8503 . ?
O5 N2 1.247(5) . ?
O18 N1 1.241(3) . ?
N3 O11 1.219(3) . ?
C3 C1 1.520(4) . ?
C3 C4 1.387(4) . ?
C3 C8 1.380(4) . ?
C6 C5 1.379(4) . ?
C6 C7 1.379(4) . ?
C12 C14 1.484(4) . ?
C12 C13 1.386(4) . ?
C12 C11 1.386(4) . ?
C34 H34 0.9300 . ?
C34 C33 1.390(4) . ?
C34 C30 1.372(4) . ?
C33 C32 1.385(4) . ?
C33 C35 1.502(4) . ?
C23 C24 1.484(4) . ?
C23 C21 1.386(4) . ?
C23 C22 1.379(4) . ?
C14 C15 1.383(4) . ?
C14 C18 1.381(4) . ?
C26 H26 0.9300 . ?
C26 C25 1.366(4) . ?
C29 C30 1.380(4) . ?
C29 C31 1.381(4) . ?
C13 H13 0.9300 . ?
C13 C9 1.371(4) . ?
C30 H30 0.9300 . ?
C25 H25 0.9300 . ?
C25 C24 1.397(4) . ?
C32 H32 0.9300 . ?
C32 C31 1.378(4) . ?
O6 N2 1.253(5) . ?
C24 C28 1.394(4) . ?
C9 H9 0.9300 . ?
C4 H4 0.9300 . ?
C4 C5 1.379(4) . ?
C31 H31 0.9300 . ?
C5 H5 0.9300 . ?
C20 H20 0.9300 . ?
C20 C22 1.384(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.375(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.363(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.362(4) . ?
C8 H8 0.9300 . ?
C11 H11 0.9300 . ?
C28 H28 0.9300 . ?
C21 H21 0.9300 . ?
C21 C19 1.382(4) . ?
C22 H22 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.380(4) . ?
C19 H19 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.378(4) . ?
C18 H18 0.9300 . ?
N2 O4 1.220(5) . ?
C16 H16 0.9300 . ?
O2 H2A 0.8501 . ?
O2 H2B 0.8499 . ?
O1 H1A 0.8501 . ?
O1 H1B 0.8500 . ?

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
O7 Eu01 O13 75.92(7) . . ?
O7 Eu01 O12 125.70(8) . . ?
O7 Eu01 O5 76.17(8) . . ?
O7 Eu01 O6 70.50(8) . . ?
O8 Eu01 O7 68.77(7) . . ?
O8 Eu01 O13 71.40(8) . . ?
O8 Eu01 O12 86.96(8) . . ?
O8 Eu01 O5 82.44(9) . . ?
O8 Eu01 O6 123.05(9) . . ?
O15 Eu01 O7 140.77(7) . . ?
O15 Eu01 O8 146.95(7) . . ?
O15 Eu01 O13 121.94(8) . . ?
O15 Eu01 O14 72.79(7) . . ?
O15 Eu01 O12 82.75(8) . . ?
O15 Eu01 O5 90.86(9) . . ?
O15 Eu01 O6 72.83(8) . . ?
O13 Eu01 O6 132.23(9) . . ?
O10 Eu01 O7 133.06(7) . . ?
O10 Eu01 O8 71.34(7) . . ?
O10 Eu01 O15 75.65(7) . . ?
O10 Eu01 O13 113.25(9) . . ?
O10 Eu01 O14 142.51(8) . . ?
O10 Eu01 O12 74.73(9) . . ?
O10 Eu01 O5 75.03(10) . . ?
O10 Eu01 O6 114.47(10) . . ?
O14 Eu01 O7 84.41(7) . . ?
O14 Eu01 O8 136.51(7) . . ?
O14 Eu01 O13 69.16(8) . . ?
O14 Eu01 O12 81.67(9) . . ?
O14 Eu01 O5 124.64(10) . . ?
O14 Eu01 O6 74.58(10) . . ?
O12 Eu01 O13 50.07(8) . . ?
O12 Eu01 O6 149.91(9) . . ?
O5 Eu01 O13 147.08(9) . . ?
O5 Eu01 O12 149.73(10) . . ?
O5 Eu01 O6 50.11(10) . . ?
Eu01 O7 H7A 109.4 . . ?
Eu01 O7 H7B 109.6 . . ?
H7A O7 H7B 104.3 . . ?
Eu01 O8 H8A 124.5 . . ?
Eu01 O8 H8B 129.5 . . ?
H8A O8 H8B 104.6 . . ?
C1 O15 Eu01 147.10(19) . . ?
C9 N4 C6 121.3(2) . . ?
C10 N4 C6 118.6(2) . . ?
C10 N4 C9 120.0(2) . . ?
C26 N5 C29 121.0(2) . . ?
C27 N5 C26 120.2(2) . . ?
C27 N5 C29 118.7(2) . . ?
N3 O13 Eu01 96.52(19) . . ?
C19 N7 C20 117.0(3) . . ?
C35 O10 Eu01 145.17(19) . . ?
Eu01 O14 H14A 125.8 . . ?
Eu01 O14 H14B 129.2 . . ?
H14A O14 H14B 104.5 . . ?
N3 O12 Eu01 96.89(19) . . ?
C17 N6 C16 116.3(3) . . ?
H3A O3 H3B 104.5 . . ?
N2 O5 Eu01 98.0(2) . . ?
O13 N3 O12 116.4(3) . . ?
O11 N3 O13 122.4(3) . . ?
O11 N3 O12 121.2(3) . . ?
C4 C3 C1 122.3(3) . . ?
C8 C3 C1 119.4(3) . . ?
C8 C3 C4 118.3(3) . . ?
C5 C6 N4 120.8(3) . . ?
C5 C6 C7 120.9(3) . . ?
C7 C6 N4 118.3(3) . . ?
C13 C12 C14 122.7(3) . . ?
C11 C12 C14 120.1(3) . . ?
C11 C12 C13 117.2(3) . . ?
C33 C34 H34 119.6 . . ?
C30 C34 H34 119.6 . . ?
C30 C34 C33 120.9(3) . . ?
C34 C33 C35 120.6(3) . . ?
C32 C33 C34 119.2(3) . . ?
C32 C33 C35 120.2(3) . . ?
C21 C23 C24 119.4(3) . . ?
C22 C23 C24 122.8(3) . . ?
C22 C23 C21 117.8(3) . . ?
C15 C14 C12 120.7(3) . . ?
C18 C14 C12 122.3(3) . . ?
C18 C14 C15 117.0(3) . . ?
O16 C1 C3 119.0(3) . . ?
O15 C1 O16 124.8(3) . . ?
O15 C1 C3 116.2(3) . . ?
N5 C26 H26 119.6 . . ?
N5 C26 C25 120.8(3) . . ?
C25 C26 H26 119.6 . . ?
C30 C29 N5 118.2(2) . . ?
C30 C29 C31 121.7(3) . . ?
C31 C29 N5 120.1(2) . . ?
C12 C13 H13 119.7 . . ?
C9 C13 C12 120.6(3) . . ?
C9 C13 H13 119.7 . . ?
C34 C30 C29 118.8(3) . . ?
C34 C30 H30 120.6 . . ?
C29 C30 H30 120.6 . . ?
C26 C25 H25 119.9 . . ?
C26 C25 C24 120.2(3) . . ?
C24 C25 H25 119.9 . . ?
O17 N1 O19 120.0(3) . . ?
O17 N1 O18 119.9(3) . . ?
O18 N1 O19 120.1(3) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 C33 120.6(3) . . ?
C31 C32 H32 119.7 . . ?
N2 O6 Eu01 93.6(2) . . ?
C25 C24 C23 122.4(2) . . ?
C28 C24 C23 120.1(2) . . ?
C28 C24 C25 117.5(3) . . ?
N4 C9 C13 120.3(3) . . ?
N4 C9 H9 119.8 . . ?
C13 C9 H9 119.8 . . ?
O9 C35 C33 119.2(3) . . ?
O10 C35 O9 124.4(3) . . ?
O10 C35 C33 116.3(3) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 C3 121.4(3) . . ?
C5 C4 H4 119.3 . . ?
C29 C31 H31 120.6 . . ?
C32 C31 C29 118.7(3) . . ?
C32 C31 H31 120.6 . . ?
C6 C5 C4 118.8(3) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
N7 C20 H20 118.2 . . ?
N7 C20 C22 123.5(3) . . ?
C22 C20 H20 118.2 . . ?
C6 C7 H7 120.3 . . ?
C8 C7 C6 119.3(3) . . ?
C8 C7 H7 120.3 . . ?
N5 C27 H27 119.6 . . ?
N5 C27 C28 120.7(3) . . ?
C28 C27 H27 119.6 . . ?
N4 C10 H10 119.5 . . ?
N4 C10 C11 120.9(3) . . ?
C11 C10 H10 119.5 . . ?
C3 C8 H8 119.4 . . ?
C7 C8 C3 121.2(3) . . ?
C7 C8 H8 119.4 . . ?
C12 C11 H11 119.7 . . ?
C10 C11 C12 120.7(3) . . ?
C10 C11 H11 119.7 . . ?
C24 C28 H28 119.7 . . ?
C27 C28 C24 120.6(3) . . ?
C27 C28 H28 119.7 . . ?
C23 C21 H21 120.4 . . ?
C19 C21 C23 119.1(3) . . ?
C19 C21 H21 120.4 . . ?
C23 C22 C20 118.9(3) . . ?
C23 C22 H22 120.5 . . ?
C20 C22 H22 120.5 . . ?
N6 C17 H17 118.0 . . ?
N6 C17 C18 124.0(3) . . ?
C18 C17 H17 118.0 . . ?
N7 C19 C21 123.6(3) . . ?
N7 C19 H19 118.2 . . ?
C21 C19 H19 118.2 . . ?
C14 C15 H15 120.3 . . ?
C16 C15 C14 119.5(3) . . ?
C16 C15 H15 120.3 . . ?
C14 C18 H18 120.3 . . ?
C17 C18 C14 119.4(3) . . ?
C17 C18 H18 120.3 . . ?
O5 N2 O6 118.3(3) . . ?
O4 N2 O5 121.9(5) . . ?
O4 N2 O6 119.8(5) . . ?
N6 C16 C15 123.7(3) . . ?
N6 C16 H16 118.1 . . ?
C15 C16 H16 118.1 . . ?
H2A O2 H2B 104.5 . . ?
H1A O1 H1B 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
Eu01 O15 C1 O16 5.5(6) . . . . ?
Eu01 O15 C1 C3 -174.9(2) . . . . ?
Eu01 O13 N3 O12 2.8(3) . . . . ?
Eu01 O13 N3 O11 -177.2(3) . . . . ?
Eu01 O10 C35 O9 -24.3(6) . . . . ?
Eu01 O10 C35 C33 156.3(3) . . . . ?
Eu01 O12 N3 O13 -2.8(3) . . . . ?
Eu01 O12 N3 O11 177.2(3) . . . . ?
Eu01 O5 N2 O6 0.5(4) . . . . ?
Eu01 O5 N2 O4 -178.2(4) . . . . ?
Eu01 O6 N2 O5 -0.4(4) . . . . ?
Eu01 O6 N2 O4 178.3(4) . . . . ?
N4 C6 C5 C4 179.7(2) . . . . ?
N4 C6 C7 C8 -179.9(3) . . . . ?
N4 C10 C11 C12 -0.5(4) . . . . ?
N5 C26 C25 C24 1.2(4) . . . . ?
N5 C29 C30 C34 -176.2(2) . . . . ?
N5 C29 C31 C32 175.1(2) . . . . ?
N5 C27 C28 C24 0.0(4) . . . . ?
N7 C20 C22 C23 1.2(5) . . . . ?
N6 C17 C18 C14 -2.8(5) . . . . ?
C3 C4 C5 C6 0.5(4) . . . . ?
C6 N4 C9 C13 173.1(3) . . . . ?
C6 N4 C10 C11 -171.9(3) . . . . ?
C6 C7 C8 C3 -0.2(5) . . . . ?
C12 C14 C15 C16 -178.8(3) . . . . ?
C12 C14 C18 C17 -179.0(3) . . . . ?
C12 C13 C9 N4 -2.1(4) . . . . ?
C34 C33 C32 C31 1.7(4) . . . . ?
C34 C33 C35 O9 9.7(4) . . . . ?
C34 C33 C35 O10 -170.8(3) . . . . ?
C33 C34 C30 C29 0.9(4) . . . . ?
C33 C32 C31 C29 1.1(4) . . . . ?
C23 C24 C28 C27 -178.4(3) . . . . ?
C23 C21 C19 N7 0.9(5) . . . . ?
C14 C12 C13 C9 -172.5(3) . . . . ?
C14 C12 C11 C10 173.8(3) . . . . ?
C14 C15 C16 N6 -1.9(5) . . . . ?
C1 C3 C4 C5 177.3(3) . . . . ?
C1 C3 C8 C7 -177.5(3) . . . . ?
C26 N5 C29 C30 -49.0(4) . . . . ?
C26 N5 C29 C31 132.8(3) . . . . ?
C26 N5 C27 C28 0.0(4) . . . . ?
C26 C25 C24 C23 177.8(3) . . . . ?
C26 C25 C24 C28 -1.2(4) . . . . ?
C29 N5 C26 C25 175.7(3) . . . . ?
C29 N5 C27 C28 -176.3(3) . . . . ?
C13 C12 C14 C15 138.7(3) . . . . ?
C13 C12 C14 C18 -40.9(4) . . . . ?
C13 C12 C11 C10 -4.5(4) . . . . ?
C30 C34 C33 C32 -2.7(4) . . . . ?
C30 C34 C33 C35 176.3(3) . . . . ?
C30 C29 C31 C32 -3.0(4) . . . . ?
C25 C24 C28 C27 0.6(4) . . . . ?
C32 C33 C35 O9 -171.2(3) . . . . ?
C32 C33 C35 O10 8.2(4) . . . . ?
C24 C23 C21 C19 179.5(3) . . . . ?
C24 C23 C22 C20 179.6(3) . . . . ?
C9 N4 C6 C5 51.5(4) . . . . ?
C9 N4 C6 C7 -128.9(3) . . . . ?
C9 N4 C10 C11 4.3(4) . . . . ?
C35 C33 C32 C31 -177.4(3) . . . . ?
C4 C3 C1 O16 16.4(4) . . . . ?
C4 C3 C1 O15 -163.2(3) . . . . ?
C4 C3 C8 C7 0.8(4) . . . . ?
C31 C29 C30 C34 2.0(4) . . . . ?
C5 C6 C7 C8 -0.3(5) . . . . ?
C20 N7 C19 C21 -0.6(5) . . . . ?
C7 C6 C5 C4 0.1(4) . . . . ?
C27 N5 C26 C25 -0.5(4) . . . . ?
C27 N5 C29 C30 127.3(3) . . . . ?
C27 N5 C29 C31 -51.0(4) . . . . ?
C10 N4 C6 C5 -132.4(3) . . . . ?
C10 N4 C6 C7 47.3(4) . . . . ?
C10 N4 C9 C13 -3.0(4) . . . . ?
C8 C3 C1 O16 -165.4(3) . . . . ?
C8 C3 C1 O15 15.0(4) . . . . ?
C8 C3 C4 C5 -1.0(4) . . . . ?
C11 C12 C14 C15 -39.5(4) . . . . ?
C11 C12 C14 C18 140.8(3) . . . . ?
C11 C12 C13 C9 5.8(4) . . . . ?
C21 C23 C24 C25 -135.6(3) . . . . ?
C21 C23 C24 C28 43.4(4) . . . . ?
C21 C23 C22 C20 -0.9(4) . . . . ?
C22 C23 C24 C25 44.0(4) . . . . ?
C22 C23 C24 C28 -137.1(3) . . . . ?
C22 C23 C21 C19 -0.1(4) . . . . ?
C17 N6 C16 C15 0.7(5) . . . . ?
C19 N7 C20 C22 -0.5(5) . . . . ?
C15 C14 C18 C17 1.4(4) . . . . ?
C18 C14 C15 C16 0.8(4) . . . . ?
C16 N6 C17 C18 1.7(5) . . . . ?

_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 0.117 0.693 0.387 7.3 0.0 ?
2 0.883 0.307 0.613 7.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_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 1.115
_oxdiff_exptl_absorpt_empirical_full_min 0.897
####################################################################### 
# 
# 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-coohbpy
_database_code_depnum_ccdc_archive 'CCDC 2083719'
loop_
_audit_author_name
_audit_author_address
'Wang Yiwen'
;FzU
China
;
_audit_update_record             
;
2021-05-25 deposited with the CCDC.	2021-07-28 downloaded from the CCDC.
;
_audit_creation_date             2021-05-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C6 Co N6, C17 H13 N2 O2, C17 H14 N2 O2, 7(H2 O)'
_chemical_formula_sum            'C40 H41 Co N10 O11'
_chemical_formula_weight         896.76
_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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5802(8)
_cell_length_b                   14.8763(10)
_cell_length_c                   15.6669(11)
_cell_angle_alpha                64.083(7)
_cell_angle_beta                 86.853(6)
_cell_angle_gamma                72.573(7)
_cell_volume                     2107.8(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4757
_cell_measurement_temperature    295
_cell_measurement_theta_max      22.3240
_cell_measurement_theta_min      2.0200
_shelx_estimated_absorpt_T_max   0.995
_shelx_estimated_absorpt_T_min   0.995
_exptl_absorpt_coefficient_mu    0.479
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83155
_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    1.413
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_unetI/netI     0.0791
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25814
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.025
_diffrn_ambient_temperature      295
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -34.00  78.00   0.50    8.00    --   -9.60  43.00 -60.00  224
  2  ω    -68.00 -42.00   0.50    8.00    --   -9.60  55.00-180.00   52
  3  ω    -18.00  80.00   0.50    8.00    --   -9.60  55.00-180.00  196
  4  ω    -76.00 -51.00   0.50    8.00    --   -9.60  55.00  60.00   50
  5  ω     -6.00  75.00   0.50    8.00    --   -9.60  55.00  60.00  162
  6  ω    -93.00 -66.00   0.50    8.00    --   -9.60  55.00 -30.00   54
  7  ω    -35.00 -10.00   0.50    8.00    --   -9.60  55.00 -30.00   50
  8  ω     32.00  62.00   0.50    8.00    --   -9.60  55.00 -30.00   60
  9  ω    -98.00 -73.00   0.50    8.00    --   -9.60  29.00 150.00   50
 10  ω    -48.00 -15.00   0.50    8.00    --   -9.60  29.00 150.00   66
 11  ω     41.00  78.00   0.50    8.00    --   -9.60  29.00 150.00   74
 12  ω    -84.00 -55.00   0.50    8.00    --   -9.60  43.00 -60.00   58
;
_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      0.0397501000
_diffrn_orient_matrix_UB_12      -0.0384127000
_diffrn_orient_matrix_UB_13      0.0426555000
_diffrn_orient_matrix_UB_21      -0.0555734000
_diffrn_orient_matrix_UB_22      -0.0172909000
_diffrn_orient_matrix_UB_23      0.0186118000
_diffrn_orient_matrix_UB_31      0.0175456000
_diffrn_orient_matrix_UB_32      -0.0364365000
_diffrn_orient_matrix_UB_33      -0.0196942000
_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                4837
_reflns_number_total             7446
_reflns_odcompleteness_completeness 99.78
_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 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.426
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         7446
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0493
_refine_ls_restrained_S_all      1.083
_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)+(0.0524P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1086
_refine_ls_wR_factor_ref         0.1195
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups, All O(H,H) groups, All O(H,H,H,H) groups
 At 1.5 times of:
  All O(H) groups
2. Uiso/Uaniso restraints and constraints
O7: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(O7) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O10) \\sim Ueq, Uanis(O11) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3.a Riding coordinates:
 O3(H3A,H3B), O2(H2A,H2B), O8(H8A,H8B), O7(H7A,H7B), O4(H4A,H4B), O10(H10A,
 H10B,H11A,H11B)
3.b Aromatic/amide H refined with riding coordinates:
 N8(H8), N1(H1A), C00F(H00F), C00G(H00G), C00I(H00I), C00R(H00R), C00S(H00S),
 C00W(H00W), C00Y(H00Y), C00Z(H00Z), C013(H013), C014(H014), C015(H015),
 C016(H016), C018(H018), C019(H019), C01B(H01B), C01C(H01C), C01E(H01E),
 C01F(H01F), C01G(H01G), C01J(H01J), C01K(H01K), C01L(H01L), C01M(H01M),
 C01O(H01O)
3.c Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
Co01 Co -2.00688(3) 0.99878(3) 0.25033(3) 0.02716(14) Uani 1 1 d . . . . .
N9 N 0.8529(2) 0.28762(18) 0.39603(17) 0.0332(6) Uani 1 1 d . . . . .
N10 N -0.8523(2) 0.70954(18) 0.06361(17) 0.0325(6) Uani 1 1 d . . . . .
O1 O -0.2293(2) 0.52915(19) 0.17010(18) 0.0587(6) Uani 1 1 d . . . . .
H1 H -0.147939 0.497729 0.173381 0.088 Uiso 1 1 calc R U . . .
O6 O 0.2182(2) 0.47984(19) 0.3189(2) 0.0639(7) Uani 1 1 d . . . . .
O5 O 0.2592(2) 0.3969(2) 0.2277(2) 0.0713(8) Uani 1 1 d . . . . .
N7 N -1.7925(3) 0.9199(2) 0.4109(2) 0.0479(7) Uani 1 1 d . . . . .
O9 O -0.2335(2) 0.5166(2) 0.0346(2) 0.0789(9) Uani 1 1 d . . . . .
N2 N -1.7860(3) 0.9581(2) 0.1261(2) 0.0469(7) Uani 1 1 d . . . . .
N8 N 1.5295(3) 0.1389(2) 0.5212(2) 0.0545(8) Uani 1 1 d . . . . .
H8 H 1.615368 0.120340 0.536494 0.065 Uiso 1 1 calc R U . . .
O3 O 0.2960(2) 0.2223(2) 0.1902(2) 0.0823(9) Uani 1 1 d . . . . .
H3A H 0.301287 0.277634 0.191305 0.099 Uiso 1 1 d R U . . .
H3B H 0.214047 0.226494 0.195085 0.099 Uiso 1 1 d R U . . .
N1 N -1.5360(3) 0.8873(2) 0.0742(3) 0.0600(9) Uani 1 1 d . . . . .
H1A H -1.622371 0.910086 0.076904 0.072 Uiso 1 1 calc R U . . .
O2 O 0.0069(2) 0.41262(19) 0.1942(2) 0.0834(9) Uani 1 1 d . . . . .
H2A H 0.024261 0.358043 0.185149 0.100 Uiso 1 1 d R U . . .
H2B H 0.082611 0.417393 0.203329 0.100 Uiso 1 1 d R U . . .
N4 N -2.2184(3) 1.0734(2) 0.0896(2) 0.0532(8) Uani 1 1 d . . . . .
C00F C 0.9317(3) 0.1930(2) 0.4059(2) 0.0331(7) Uani 1 1 d . . . . .
H00F H 0.894006 0.147502 0.395978 0.040 Uiso 1 1 calc R U . . .
C00G C 1.0648(3) 0.1620(2) 0.4301(2) 0.0355(7) Uani 1 1 d . . . . .
H00G H 1.119750 0.096534 0.434029 0.043 Uiso 1 1 calc R U . . .
N5 N -2.2329(3) 1.0382(2) 0.3703(2) 0.0499(7) Uani 1 1 d . . . . .
C00I C -1.0438(3) 0.8298(2) 0.0803(2) 0.0374(8) Uani 1 1 d . . . . .
H00I H -1.083056 0.888781 0.092675 0.045 Uiso 1 1 calc R U . . .
N3 N -2.0219(3) 0.7777(2) 0.3160(2) 0.0562(8) Uani 1 1 d . . . . .
N6 N -1.9934(3) 1.2204(2) 0.1880(2) 0.0552(8) Uani 1 1 d . . . . .
C2 C -2.1457(3) 1.0227(2) 0.3261(2) 0.0314(7) Uani 1 1 d . . . . .
C00M C -1.1240(3) 0.7807(2) 0.0616(2) 0.0345(7) Uani 1 1 d . . . . .
C1 C -2.1379(3) 1.0466(2) 0.1499(2) 0.0332(7) Uani 1 1 d . . . . .
C00O C 1.1205(3) 0.2253(2) 0.4489(2) 0.0339(7) Uani 1 1 d . . . . .
C00P C 0.7117(3) 0.3207(2) 0.3684(2) 0.0347(7) Uani 1 1 d . . . . .
C00Q C -0.7085(3) 0.6707(2) 0.0690(2) 0.0330(7) Uani 1 1 d . . . . .
C00R C -0.9085(3) 0.7938(2) 0.0811(2) 0.0394(8) Uani 1 1 d . . . . .
H00R H -0.854109 0.827796 0.093784 0.047 Uiso 1 1 calc R U . . .
C00S C 0.6693(3) 0.3052(2) 0.2961(2) 0.0394(8) Uani 1 1 d . . . . .
H00S H 0.731677 0.272892 0.264020 0.047 Uiso 1 1 calc R U . . .
C00T C -1.8701(3) 0.9745(2) 0.1724(2) 0.0330(7) Uani 1 1 d . . . . .
C00U C -2.0151(3) 0.8610(3) 0.2917(2) 0.0344(7) Uani 1 1 d . . . . .
C00V C -1.8742(3) 0.9490(2) 0.3512(2) 0.0337(7) Uani 1 1 d . . . . .
C00W C -0.9271(3) 0.6621(2) 0.0430(2) 0.0386(8) Uani 1 1 d . . . . .
H00W H -0.885628 0.603502 0.030393 0.046 Uiso 1 1 calc R U . . .
C00X C -1.2693(3) 0.8172(2) 0.0658(2) 0.0364(7) Uani 1 1 d . . . . .
C00Y C 0.5344(3) 0.3374(2) 0.2706(2) 0.0413(8) Uani 1 1 d . . . . .
H00Y H 0.504364 0.325928 0.221274 0.050 Uiso 1 1 calc R U . . .
C00Z C -0.4992(3) 0.6114(2) 0.1563(2) 0.0394(8) Uani 1 1 d . . . . .
H00Z H -0.448425 0.598043 0.211097 0.047 Uiso 1 1 calc R U . . .
C010 C 0.4419(3) 0.3862(2) 0.3156(2) 0.0369(8) Uani 1 1 d . . . . .
C011 C -1.9997(3) 1.1374(3) 0.2099(2) 0.0346(7) Uani 1 1 d . . . . .
O8 O -0.0528(3) 0.5958(2) 0.3049(3) 0.1047(11) Uani 1 1 d . . . . .
H8A H 0.024098 0.565466 0.294485 0.126 Uiso 1 1 d R U . . .
H8B H -0.045942 0.651646 0.304255 0.126 Uiso 1 1 d R U . . .
C013 C 1.3569(3) 0.1472(2) 0.4286(2) 0.0409(8) Uani 1 1 d . . . . .
H013 H 1.327924 0.133018 0.380739 0.049 Uiso 1 1 calc R U . . .
C014 C -1.0630(3) 0.6973(2) 0.0400(2) 0.0383(8) Uani 1 1 d . . . . .
H014 H -1.115578 0.664750 0.023061 0.046 Uiso 1 1 calc R U . . .
C015 C 0.9045(3) 0.3519(2) 0.4121(2) 0.0446(8) Uani 1 1 d . . . . .
H015 H 0.848322 0.418721 0.404040 0.053 Uiso 1 1 calc R U . . .
C016 C -1.3203(3) 0.8496(3) 0.1352(2) 0.0511(9) Uani 1 1 d . . . . .
H016 H -1.262056 0.847837 0.180298 0.061 Uiso 1 1 calc R U . . .
C017 C 1.2648(3) 0.1941(2) 0.4752(2) 0.0347(7) Uani 1 1 d . . . . .
C018 C -0.6360(3) 0.6521(2) 0.1483(2) 0.0393(8) Uani 1 1 d . . . . .
H018 H -0.679679 0.667180 0.197291 0.047 Uiso 1 1 calc R U . . .
C019 C -0.6475(3) 0.6526(2) -0.0046(2) 0.0424(8) Uani 1 1 d . . . . .
H019 H -0.698585 0.667471 -0.059830 0.051 Uiso 1 1 calc R U . . .
C01A C -0.4364(3) 0.5901(2) 0.0848(2) 0.0364(7) Uani 1 1 d . . . . .
C01B C -0.5102(3) 0.6122(2) 0.0039(2) 0.0428(8) Uani 1 1 d . . . . .
H01B H -0.466375 0.599563 -0.046147 0.051 Uiso 1 1 calc R U . . .
C01C C 0.6222(3) 0.3671(2) 0.4162(2) 0.0420(8) Uani 1 1 d . . . . .
H01C H 0.652684 0.375983 0.467061 0.050 Uiso 1 1 calc R U . . .
C01D C -0.2894(3) 0.5410(2) 0.0933(3) 0.0429(8) Uani 1 1 d . . . . .
C01E C 1.0372(3) 0.3220(2) 0.4399(2) 0.0435(8) Uani 1 1 d . . . . .
H01E H 1.072064 0.366989 0.452983 0.052 Uiso 1 1 calc R U . . .
C01F C 0.4877(3) 0.4003(2) 0.3887(2) 0.0415(8) Uani 1 1 d . . . . .
H01F H 0.425683 0.433362 0.420379 0.050 Uiso 1 1 calc R U . . .
C01G C -1.3578(3) 0.8218(2) 0.0006(2) 0.0452(8) Uani 1 1 d . . . . .
H01G H -1.325793 0.800410 -0.047539 0.054 Uiso 1 1 calc R U . . .
O7 O 0.2430(3) 0.6130(2) 0.3914(2) 0.1050(10) Uani 1 1 d . U . . .
H7A H 0.229537 0.574535 0.367846 0.126 Uiso 1 1 d R U . . .
H7B H 0.172397 0.665035 0.374006 0.126 Uiso 1 1 d R U . . .
C01I C 0.2945(3) 0.4244(2) 0.2851(3) 0.0476(9) Uani 1 1 d . . . . .
C01J C 1.4902(3) 0.1215(2) 0.4523(3) 0.0500(9) Uani 1 1 d . . . . .
H01J H 1.554125 0.091415 0.419565 0.060 Uiso 1 1 calc R U . . .
C01K C 1.4450(3) 0.1830(3) 0.5682(3) 0.0567(10) Uani 1 1 d . . . . .
H01K H 1.477282 0.194314 0.616859 0.068 Uiso 1 1 calc R U . . .
C01L C 1.3105(3) 0.2120(3) 0.5455(2) 0.0470(8) Uani 1 1 d . . . . .
H01L H 1.249148 0.244202 0.578051 0.056 Uiso 1 1 calc R U . . .
C01M C -1.4553(4) 0.8839(3) 0.1375(3) 0.0641(11) Uani 1 1 d . . . . .
H01M H -1.490906 0.905476 0.184991 0.077 Uiso 1 1 calc R U . . .
O4 O 0.5169(3) 0.0346(2) 0.2526(2) 0.1047(11) Uani 1 1 d . . . . .
H4A H 0.460845 0.095407 0.234111 0.126 Uiso 1 1 d R U . . .
H4B H 0.594465 0.037857 0.258761 0.126 Uiso 1 1 d R U . . .
C01O C -1.4921(3) 0.8575(3) 0.0065(3) 0.0566(10) Uani 1 1 d . . . . .
H01O H -1.553545 0.860892 -0.037638 0.068 Uiso 1 1 calc R U . . .
O11 O 0.4487(6) 0.7145(4) 0.3216(3) 0.179(2) Uani 1 1 d . U . . .
O10 O 0.7182(4) 0.5885(3) 0.3954(4) 0.200(3) Uani 1 1 d . U . . .
H10A H 0.726835 0.532823 0.453497 0.240 Uiso 1 1 d R U . . .
H10B H 0.792135 0.578953 0.362497 0.240 Uiso 1 1 d R U . . .
H11A H 0.390035 0.681923 0.338757 0.240 Uiso 1 1 d R U . . .
H11B H 0.533725 0.672363 0.342967 0.240 Uiso 1 1 d 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
Co01 C2 1.887(3) . ?
Co01 C1 1.890(3) . ?
Co01 C00T 1.895(3) . ?
Co01 C00U 1.889(3) . ?
Co01 C00V 1.901(3) . ?
Co01 C011 1.898(3) . ?
N9 C00F 1.350(3) . ?
N9 C00P 1.451(3) . ?
N9 C015 1.346(4) . ?
N10 C00Q 1.450(3) . ?
N10 C00R 1.354(3) . ?
N10 C00W 1.338(3) . ?
O1 H1 0.8400 . ?
O1 C01D 1.309(4) . ?
O6 C01I 1.244(4) . ?
O5 C01I 1.250(4) . ?
N7 C00V 1.149(3) . ?
O9 C01D 1.197(4) . ?
N2 C00T 1.154(3) . ?
N8 H8 0.8800 . ?
N8 C01J 1.327(4) . ?
N8 C01K 1.330(4) . ?
O3 H3A 0.8497 . ?
O3 H3B 0.8515 . ?
N1 H1A 0.8800 . ?
N1 C01M 1.319(5) . ?
N1 C01O 1.331(5) . ?
O2 H2A 0.8495 . ?
O2 H2B 0.8499 . ?
N4 C1 1.155(4) . ?
C00F H00F 0.9500 . ?
C00F C00G 1.362(4) . ?
C00G H00G 0.9500 . ?
C00G C00O 1.383(4) . ?
N5 C2 1.151(3) . ?
C00I H00I 0.9500 . ?
C00I C00M 1.386(4) . ?
C00I C00R 1.369(4) . ?
N3 C00U 1.150(3) . ?
N6 C011 1.151(3) . ?
C00M C00X 1.477(4) . ?
C00M C014 1.392(4) . ?
C00O C017 1.481(4) . ?
C00O C01E 1.395(4) . ?
C00P C00S 1.372(4) . ?
C00P C01C 1.384(4) . ?
C00Q C018 1.373(4) . ?
C00Q C019 1.380(4) . ?
C00R H00R 0.9500 . ?
C00S H00S 0.9500 . ?
C00S C00Y 1.383(4) . ?
C00W H00W 0.9500 . ?
C00W C014 1.371(4) . ?
C00X C016 1.393(4) . ?
C00X C01G 1.390(4) . ?
C00Y H00Y 0.9500 . ?
C00Y C010 1.387(4) . ?
C00Z H00Z 0.9500 . ?
C00Z C018 1.380(4) . ?
C00Z C01A 1.379(4) . ?
C010 C01F 1.387(4) . ?
C010 C01I 1.516(4) . ?
O8 H8A 0.8500 . ?
O8 H8B 0.8501 . ?
C013 H013 0.9500 . ?
C013 C017 1.389(4) . ?
C013 C01J 1.373(4) . ?
C014 H014 0.9500 . ?
C015 H015 0.9500 . ?
C015 C01E 1.372(4) . ?
C016 H016 0.9500 . ?
C016 C01M 1.370(5) . ?
C017 C01L 1.381(4) . ?
C018 H018 0.9500 . ?
C019 H019 0.9500 . ?
C019 C01B 1.385(4) . ?
C01A C01B 1.383(4) . ?
C01A C01D 1.492(4) . ?
C01B H01B 0.9500 . ?
C01C H01C 0.9500 . ?
C01C C01F 1.384(4) . ?
C01E H01E 0.9500 . ?
C01F H01F 0.9500 . ?
C01G H01G 0.9500 . ?
C01G C01O 1.373(4) . ?
O7 H7A 0.8501 . ?
O7 H7B 0.8499 . ?
C01J H01J 0.9500 . ?
C01K H01K 0.9500 . ?
C01K C01L 1.376(4) . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
O4 H4A 0.8498 . ?
O4 H4B 0.8499 . ?
C01O H01O 0.9500 . ?
O11 H11A 0.8608 . ?
O11 H11B 0.9089 . ?
O10 H10A 0.9100 . ?
O10 H10B 0.9226 . ?

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
C2 Co01 C1 88.07(12) . . ?
C2 Co01 C00T 178.70(12) . . ?
C2 Co01 C00U 89.37(12) . . ?
C2 Co01 C00V 92.37(12) . . ?
C2 Co01 C011 90.01(11) . . ?
C1 Co01 C00T 90.74(12) . . ?
C1 Co01 C00V 179.22(12) . . ?
C1 Co01 C011 90.87(12) . . ?
C00T Co01 C00V 88.82(12) . . ?
C00T Co01 C011 90.52(12) . . ?
C00U Co01 C1 89.29(12) . . ?
C00U Co01 C00T 90.11(12) . . ?
C00U Co01 C00V 90.07(12) . . ?
C00U Co01 C011 179.35(12) . . ?
C011 Co01 C00V 89.78(13) . . ?
C00F N9 C00P 120.2(2) . . ?
C015 N9 C00F 120.3(2) . . ?
C015 N9 C00P 119.5(2) . . ?
C00R N10 C00Q 118.4(2) . . ?
C00W N10 C00Q 120.4(2) . . ?
C00W N10 C00R 121.1(2) . . ?
C01D O1 H1 109.5 . . ?
C01J N8 H8 118.5 . . ?
C01J N8 C01K 123.0(3) . . ?
C01K N8 H8 118.5 . . ?
H3A O3 H3B 104.5 . . ?
C01M N1 H1A 118.7 . . ?
C01M N1 C01O 122.7(3) . . ?
C01O N1 H1A 118.7 . . ?
H2A O2 H2B 104.6 . . ?
N9 C00F H00F 119.7 . . ?
N9 C00F C00G 120.7(3) . . ?
C00G C00F H00F 119.7 . . ?
C00F C00G H00G 119.8 . . ?
C00F C00G C00O 120.4(3) . . ?
C00O C00G H00G 119.8 . . ?
C00M C00I H00I 119.8 . . ?
C00R C00I H00I 119.8 . . ?
C00R C00I C00M 120.5(3) . . ?
N5 C2 Co01 178.1(3) . . ?
C00I C00M C00X 119.8(3) . . ?
C00I C00M C014 118.0(3) . . ?
C014 C00M C00X 122.2(3) . . ?
N4 C1 Co01 178.3(3) . . ?
C00G C00O C017 121.9(3) . . ?
C00G C00O C01E 118.0(3) . . ?
C01E C00O C017 120.0(3) . . ?
C00S C00P N9 119.7(3) . . ?
C00S C00P C01C 121.3(3) . . ?
C01C C00P N9 118.9(3) . . ?
C018 C00Q N10 118.7(3) . . ?
C018 C00Q C019 121.5(3) . . ?
C019 C00Q N10 119.8(3) . . ?
N10 C00R C00I 119.9(3) . . ?
N10 C00R H00R 120.1 . . ?
C00I C00R H00R 120.1 . . ?
C00P C00S H00S 120.6 . . ?
C00P C00S C00Y 118.9(3) . . ?
C00Y C00S H00S 120.6 . . ?
N2 C00T Co01 178.9(3) . . ?
N3 C00U Co01 178.9(3) . . ?
N7 C00V Co01 178.7(3) . . ?
N10 C00W H00W 119.7 . . ?
N10 C00W C014 120.5(3) . . ?
C014 C00W H00W 119.7 . . ?
C016 C00X C00M 120.1(3) . . ?
C01G C00X C00M 121.4(3) . . ?
C01G C00X C016 118.5(3) . . ?
C00S C00Y H00Y 119.3 . . ?
C00S C00Y C010 121.4(3) . . ?
C010 C00Y H00Y 119.3 . . ?
C018 C00Z H00Z 120.0 . . ?
C01A C00Z H00Z 120.0 . . ?
C01A C00Z C018 119.9(3) . . ?
C00Y C010 C01I 121.1(3) . . ?
C01F C010 C00Y 118.4(3) . . ?
C01F C010 C01I 120.5(3) . . ?
N6 C011 Co01 177.9(3) . . ?
H8A O8 H8B 104.5 . . ?
C017 C013 H013 120.3 . . ?
C01J C013 H013 120.3 . . ?
C01J C013 C017 119.4(3) . . ?
C00M C014 H014 120.0 . . ?
C00W C014 C00M 119.9(3) . . ?
C00W C014 H014 120.0 . . ?
N9 C015 H015 119.6 . . ?
N9 C015 C01E 120.8(3) . . ?
C01E C015 H015 119.6 . . ?
C00X C016 H016 120.4 . . ?
C01M C016 C00X 119.3(4) . . ?
C01M C016 H016 120.4 . . ?
C013 C017 C00O 120.3(3) . . ?
C01L C017 C00O 120.9(3) . . ?
C01L C017 C013 118.8(3) . . ?
C00Q C018 C00Z 119.5(3) . . ?
C00Q C018 H018 120.2 . . ?
C00Z C018 H018 120.2 . . ?
C00Q C019 H019 120.7 . . ?
C00Q C019 C01B 118.5(3) . . ?
C01B C019 H019 120.7 . . ?
C00Z C01A C01B 120.0(3) . . ?
C00Z C01A C01D 121.4(3) . . ?
C01B C01A C01D 118.7(3) . . ?
C019 C01B H01B 119.8 . . ?
C01A C01B C019 120.5(3) . . ?
C01A C01B H01B 119.8 . . ?
C00P C01C H01C 120.5 . . ?
C00P C01C C01F 118.9(3) . . ?
C01F C01C H01C 120.5 . . ?
O1 C01D C01A 113.2(3) . . ?
O9 C01D O1 124.1(3) . . ?
O9 C01D C01A 122.6(3) . . ?
C00O C01E H01E 120.2 . . ?
C015 C01E C00O 119.7(3) . . ?
C015 C01E H01E 120.2 . . ?
C010 C01F H01F 119.5 . . ?
C01C C01F C010 121.0(3) . . ?
C01C C01F H01F 119.5 . . ?
C00X C01G H01G 120.3 . . ?
C01O C01G C00X 119.4(3) . . ?
C01O C01G H01G 120.3 . . ?
H7A O7 H7B 104.5 . . ?
O6 C01I O5 125.1(3) . . ?
O6 C01I C010 118.1(3) . . ?
O5 C01I C010 116.8(3) . . ?
N8 C01J C013 119.8(3) . . ?
N8 C01J H01J 120.1 . . ?
C013 C01J H01J 120.1 . . ?
N8 C01K H01K 120.3 . . ?
N8 C01K C01L 119.3(3) . . ?
C01L C01K H01K 120.3 . . ?
C017 C01L H01L 120.1 . . ?
C01K C01L C017 119.8(3) . . ?
C01K C01L H01L 120.1 . . ?
N1 C01M C016 120.3(4) . . ?
N1 C01M H01M 119.9 . . ?
C016 C01M H01M 119.9 . . ?
H4A O4 H4B 109.5 . . ?
N1 C01O C01G 119.9(4) . . ?
N1 C01O H01O 120.1 . . ?
C01G C01O H01O 120.1 . . ?
H11A O11 H11B 114.2 . . ?
H10A O10 H10B 111.7 . . ?

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
N9 C00F C00G C00O 2.8(5) . . . . ?
N9 C00P C00S C00Y -179.9(3) . . . . ?
N9 C00P C01C C01F 178.9(3) . . . . ?
N9 C015 C01E C00O 2.0(5) . . . . ?
N10 C00Q C018 C00Z 177.6(3) . . . . ?
N10 C00Q C019 C01B -177.9(3) . . . . ?
N10 C00W C014 C00M -2.2(5) . . . . ?
N8 C01K C01L C017 0.6(5) . . . . ?
C00F N9 C00P C00S -44.3(4) . . . . ?
C00F N9 C00P C01C 135.4(3) . . . . ?
C00F N9 C015 C01E -0.9(5) . . . . ?
C00F C00G C00O C017 -179.9(3) . . . . ?
C00F C00G C00O C01E -1.6(5) . . . . ?
C00G C00O C017 C013 41.4(4) . . . . ?
C00G C00O C017 C01L -139.2(3) . . . . ?
C00G C00O C01E C015 -0.7(5) . . . . ?
C00I C00M C00X C016 -37.8(4) . . . . ?
C00I C00M C00X C01G 141.2(3) . . . . ?
C00I C00M C014 C00W 3.8(5) . . . . ?
C00M C00I C00R N10 -0.1(5) . . . . ?
C00M C00X C016 C01M 179.5(3) . . . . ?
C00M C00X C01G C01O -179.2(3) . . . . ?
C00O C017 C01L C01K -179.6(3) . . . . ?
C00P N9 C00F C00G 178.7(3) . . . . ?
C00P N9 C015 C01E 178.9(3) . . . . ?
C00P C00S C00Y C010 1.0(5) . . . . ?
C00P C01C C01F C010 1.1(5) . . . . ?
C00Q N10 C00R C00I -177.4(3) . . . . ?
C00Q N10 C00W C014 178.5(3) . . . . ?
C00Q C019 C01B C01A 0.3(5) . . . . ?
C00R N10 C00Q C018 50.2(4) . . . . ?
C00R N10 C00Q C019 -130.2(3) . . . . ?
C00R N10 C00W C014 -0.6(4) . . . . ?
C00R C00I C00M C00X 177.0(3) . . . . ?
C00R C00I C00M C014 -2.6(5) . . . . ?
C00S C00P C01C C01F -1.4(5) . . . . ?
C00S C00Y C010 C01F -1.2(4) . . . . ?
C00S C00Y C010 C01I 178.0(3) . . . . ?
C00W N10 C00Q C018 -129.0(3) . . . . ?
C00W N10 C00Q C019 50.6(4) . . . . ?
C00W N10 C00R C00I 1.8(4) . . . . ?
C00X C00M C014 C00W -175.8(3) . . . . ?
C00X C016 C01M N1 -0.6(5) . . . . ?
C00X C01G C01O N1 0.0(5) . . . . ?
C00Y C010 C01F C01C 0.2(4) . . . . ?
C00Y C010 C01I O6 -170.4(3) . . . . ?
C00Y C010 C01I O5 9.8(5) . . . . ?
C00Z C01A C01B C019 -2.0(5) . . . . ?
C00Z C01A C01D O1 -5.0(4) . . . . ?
C00Z C01A C01D O9 175.9(3) . . . . ?
C013 C017 C01L C01K -0.2(5) . . . . ?
C014 C00M C00X C016 141.8(3) . . . . ?
C014 C00M C00X C01G -39.2(4) . . . . ?
C015 N9 C00F C00G -1.5(4) . . . . ?
C015 N9 C00P C00S 135.9(3) . . . . ?
C015 N9 C00P C01C -44.3(4) . . . . ?
C016 C00X C01G C01O -0.2(5) . . . . ?
C017 C00O C01E C015 177.6(3) . . . . ?
C017 C013 C01J N8 2.0(5) . . . . ?
C018 C00Q C019 C01B 1.7(5) . . . . ?
C018 C00Z C01A C01B 1.7(4) . . . . ?
C018 C00Z C01A C01D -176.8(3) . . . . ?
C019 C00Q C018 C00Z -2.0(5) . . . . ?
C01A C00Z C018 C00Q 0.3(4) . . . . ?
C01B C01A C01D O1 176.4(3) . . . . ?
C01B C01A C01D O9 -2.7(5) . . . . ?
C01C C00P C00S C00Y 0.4(5) . . . . ?
C01D C01A C01B C019 176.6(3) . . . . ?
C01E C00O C017 C013 -136.8(3) . . . . ?
C01E C00O C017 C01L 42.5(4) . . . . ?
C01F C010 C01I O6 8.9(5) . . . . ?
C01F C010 C01I O5 -171.0(3) . . . . ?
C01G C00X C016 C01M 0.5(5) . . . . ?
C01I C010 C01F C01C -179.1(3) . . . . ?
C01J N8 C01K C01L 0.3(5) . . . . ?
C01J C013 C017 C00O 178.3(3) . . . . ?
C01J C013 C017 C01L -1.1(4) . . . . ?
C01K N8 C01J C013 -1.6(5) . . . . ?
C01M N1 C01O C01G -0.2(5) . . . . ?
C01O N1 C01M C016 0.5(5) . . . . ?

_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 4.707
_oxdiff_exptl_absorpt_empirical_full_min 0.841
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2085903'
loop_
_audit_author_name
_audit_author_address
'Wang Yi wen'
;fuzou university
China
;
_audit_update_record             
;
2021-07-07 deposited with the CCDC.	2021-07-28 downloaded from the CCDC.
;
_audit_creation_date             2021-07-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         
'2(C34 H32 Eu N5 O11), C6 Co N6, 6(H2 O), N O3, C H4 O'
_chemical_formula_sum            'C75 H80 Co Eu2 N17 O32'
_chemical_formula_weight         2094.41
_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 0.0181 0.0091 '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 -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.2652(2)
_cell_length_b                   20.5445(4)
_cell_length_c                   39.9674(8)
_cell_angle_alpha                90
_cell_angle_beta                 96.8000(10)
_cell_angle_gamma                90
_cell_volume                     8369.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9872
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      66.60
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.182
_shelx_estimated_absorpt_T_min   0.140
_exptl_absorpt_coefficient_mu    12.945
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.4463
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1585 before and 0.0673 after correction.
The Ratio of minimum to maximum transmission is 0.5929.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish white'
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4232
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_unetI/netI     0.0473
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            124064
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        66.629
_diffrn_reflns_theta_max         66.629
_diffrn_reflns_theta_min         2.422
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11008
_reflns_number_total             14751
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         2.486
_refine_diff_density_min         -1.288
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1145
_refine_ls_number_reflns         14751
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.0780
_refine_ls_R_factor_gt           0.0538
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0513P)²+51.8948P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1372
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H,H,H) groups, All O(H,H,H,H,H,H,H,H,H,H,H,H,H,H,H,H,
  H,H,H,H,H,H,H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N11-O31 = N11-O30 = N11-O32
 1.2 with sigma of 0.01
 O31-O30
 2.2 with sigma of 0.02
 O31-O32
 2.2 with sigma of 0.02
 O30-O32
 2.2 with sigma of 0.02
 O24-H24B
 0.85 with sigma of 0.01
3. Rigid bond restraints
 O31, N11, O30, O32
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(O30) \\sim Ueq, Uanis(O32) \\sim Ueq, Uanis(N11) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O33) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Riding coordinates:
 O32(H17A,H11A,H9A,H10A,H17B,H19A,H18A,H18B,H12A,H9B,H10B,H19B,H11B,H16A,H16B,
 H12B,H23A,H25A,H25B,H27A,H27B,H24A,H28A,H28B,H29A,H29B), O33(H33A,H33B,H24B)
5.b Aromatic/amide H refined with riding coordinates:
 C42(H42), C43(H43), C55(H55), C54(H54), C60(H60), C45(H45), C46(H46),
 C68(H68), C66(H66), C8(H8), C65(H65), C63(H63), C57(H57), C12(H12), C9(H9),
 C21(H21), C40(H40), C62(H62), C67(H67), C34(H34), C23(H23), C26(H26), C25(H25),
  C11(H11), C58(H58), C59(H59), C20(H20), C6(H6), C37(H37), C24(H24), C14(H14),
 C38(H38), C33(H33), C3(H3), C29(H29), C4(H4), C28(H28), C41(H41), C7(H7),
 C31(H31), C51(H51), C48(H48), C50(H50), C32(H32), C15(H15), C49(H49), C17(H17),
  C16(H16)
5.c Idealised Me refined as rotating group:
 C75(H75A,H75B,H75C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.28505(3) 0.24150(2) 0.43611(2) 0.01477(10) Uani 1 1 d . . . . .
Eu02 Eu 1.22300(3) 0.74084(2) 0.81324(2) 0.01752(10) Uani 1 1 d . . . . .
Co03 Co 0.23692(9) 0.50150(4) 0.62290(2) 0.0178(2) Uani 1 1 d . . . . .
O14 O 1.2713(4) 0.79378(19) 0.87024(10) 0.0249(10) Uani 1 1 d . . . . .
O21 O 0.2364(4) 0.29831(19) 0.38077(11) 0.0240(9) Uani 1 1 d . . . . .
O8 O 0.4660(4) 0.19556(19) 0.46919(10) 0.0240(10) Uani 1 1 d . . . . .
O7 O 0.5608(4) 0.1169(2) 0.44239(10) 0.0278(10) Uani 1 1 d . . . . .
O11 O 1.0939(4) 0.83698(19) 0.80867(10) 0.0230(9) Uani 1 1 d . . . . .
O17 O 0.4173(4) 0.33716(19) 0.44132(11) 0.0255(10) Uani 1 1 d . . . . .
O9 O 1.3258(4) 0.6385(2) 0.80374(12) 0.0314(11) Uani 1 1 d . . . . .
O6 O 0.1910(4) 0.1338(2) 0.50431(10) 0.0287(10) Uani 1 1 d . . . . .
O19 O 0.4284(4) 0.1987(2) 0.39822(10) 0.0239(9) Uani 1 1 d . . . . .
O16 O 0.2048(4) 0.13333(18) 0.44128(10) 0.0224(9) Uani 1 1 d . . . . .
O2 O 1.2551(5) 0.7580(2) 0.75640(12) 0.0330(11) Uani 1 1 d . . . . .
O4 O 0.9096(4) 0.6285(2) 0.80897(12) 0.0350(11) Uani 1 1 d . . . . .
O10 O 1.4056(4) 0.8140(2) 0.81288(11) 0.0267(10) Uani 1 1 d . . . . .
O20 O 0.1249(4) 0.2106(2) 0.38602(10) 0.0253(10) Uani 1 1 d . . . . .
O12 O 1.0761(4) 0.7004(2) 0.85099(11) 0.0267(10) Uani 1 1 d . . . . .
O13 O 1.3783(4) 0.7054(2) 0.86286(11) 0.0286(10) Uani 1 1 d . . . . .
O5 O 0.2329(4) 0.2382(2) 0.49326(11) 0.0276(10) Uani 1 1 d . . . . .
O18 O 0.1048(4) 0.3110(2) 0.44253(11) 0.0292(10) Uani 1 1 d . . . . .
O1 O 1.3474(5) 0.8547(2) 0.75106(11) 0.0344(11) Uani 1 1 d . . . . .
O3 O 1.0492(5) 0.6860(2) 0.78196(12) 0.0378(12) Uani 1 1 d . . . . .
N5 N 0.2793(5) 0.2384(2) 0.65540(12) 0.0174(10) Uani 1 1 d . . . . .
O22 O 0.0927(5) 0.2665(2) 0.33951(12) 0.0377(12) Uani 1 1 d . . . . .
N10 N 0.1484(5) 0.2591(2) 0.36761(13) 0.0221(11) Uani 1 1 d . . . . .
N12 N 0.4230(5) 0.3917(3) 0.64800(15) 0.0300(13) Uani 1 1 d . . . . .
N7 N 0.6989(5) 0.0294(2) 0.59688(12) 0.0180(11) Uani 1 1 d . . . . .
N14 N 0.0525(5) 0.6134(3) 0.60069(14) 0.0300(13) Uani 1 1 d . . . . .
N8 N 0.9742(5) -0.1109(2) 0.75012(13) 0.0226(11) Uani 1 1 d . . . . .
N3 N 0.7849(5) 0.5242(2) 0.65575(14) 0.0250(12) Uani 1 1 d . . . . .
N1 N 1.2150(5) 0.7747(2) 0.59603(13) 0.0209(11) Uani 1 1 d . . . . .
N9 N 1.3601(5) 0.7541(2) 0.88165(14) 0.0264(13) Uani 1 1 d . . . . .
O25 O 1.4256(5) 0.5889(2) 0.75151(13) 0.0452(13) Uani 1 1 d . . . . .
N4 N 0.5360(5) 0.3953(3) 0.49722(15) 0.0326(13) Uani 1 1 d . . . . .
C42 C 0.3619(5) 0.1983(3) 0.67468(15) 0.0191(13) Uani 1 1 d . . . . .
H42 H 0.404409 0.164808 0.664650 0.023 Uiso 1 1 calc R U . . .
N13 N 0.0214(5) 0.4163(3) 0.64647(15) 0.0333(14) Uani 1 1 d . . . . .
N6 N 0.4121(5) 0.2915(3) 0.83026(13) 0.0310(13) Uani 1 1 d . . . . .
N16 N 0.4526(6) 0.5900(3) 0.60244(17) 0.0395(15) Uani 1 1 d . . . . .
C43 C 0.3827(6) 0.2068(3) 0.70887(15) 0.0227(13) Uani 1 1 d . . . . .
H43 H 0.436924 0.177933 0.721930 0.027 Uiso 1 1 calc R U . . .
O15 O 1.4244(5) 0.7617(2) 0.90901(12) 0.0396(12) Uani 1 1 d . . . . .
C52 C 0.5314(5) 0.1435(3) 0.46856(15) 0.0191(13) Uani 1 1 d . . . . .
N2 N 1.0911(6) 0.7790(3) 0.41887(14) 0.0361(14) Uani 1 1 d . . . . .
C55 C 0.5851(6) 0.1163(3) 0.56278(15) 0.0193(13) Uani 1 1 d . . . . .
H55 H 0.566843 0.137061 0.582375 0.023 Uiso 1 1 calc R U . . .
C61 C 0.8093(6) -0.0246(3) 0.65694(15) 0.0208(13) Uani 1 1 d . . . . .
N17 N 0.1968(6) 0.4396(3) 0.55285(15) 0.0397(15) Uani 1 1 d . . . . .
N15 N 0.2756(6) 0.5643(3) 0.69180(16) 0.0449(16) Uani 1 1 d . . . . .
C54 C 0.5475(6) 0.1435(3) 0.53205(15) 0.0191(13) Uani 1 1 d . . . . .
H54 H 0.503982 0.183304 0.530795 0.023 Uiso 1 1 calc R U . . .
O31 O 1.0305(6) 0.4605(3) 0.9187(2) 0.078(2) Uani 1 1 d D U . . .
C64 C 0.8691(6) -0.0536(3) 0.68938(15) 0.0201(13) Uani 1 1 d . . . . .
C53 C 0.5734(5) 0.1127(3) 0.50247(15) 0.0184(13) Uani 1 1 d . . . . .
C60 C 0.8228(6) 0.0420(3) 0.65046(15) 0.0213(13) Uani 1 1 d . . . . .
H60 H 0.868418 0.068867 0.666543 0.026 Uiso 1 1 calc R U . . .
C45 C 0.2404(6) 0.2981(3) 0.70393(15) 0.0229(13) Uani 1 1 d . . . . .
H45 H 0.198806 0.332532 0.713442 0.027 Uiso 1 1 calc R U . . .
C5 C 1.2410(6) 0.7796(3) 0.63257(16) 0.0220(13) Uani 1 1 d . . . . .
O29 O 1.5077(7) 0.5534(5) 0.8467(2) 0.120(4) Uani 1 1 d . . . . .
C74 C 0.3553(6) 0.4344(3) 0.63840(16) 0.0227(13) Uani 1 1 d . . . . .
C19 C 0.9140(6) 0.6104(3) 0.74963(17) 0.0269(15) Uani 1 1 d . . . . .
C46 C 0.2185(6) 0.2877(3) 0.66987(16) 0.0241(14) Uani 1 1 d . . . . .
H46 H 0.161153 0.314701 0.656532 0.029 Uiso 1 1 calc R U . . .
C36 C 0.2310(6) 0.2055(3) 0.55048(15) 0.0203(13) Uani 1 1 d . . . . .
C68 C 0.9233(6) -0.1152(3) 0.68958(16) 0.0243(14) Uani 1 1 d . . . . .
H68 H 0.926241 -0.138214 0.669641 0.029 Uiso 1 1 calc R U . . .
C66 C 0.9222(7) -0.0505(3) 0.74886(17) 0.0305(15) Uani 1 1 d . . . . .
H66 H 0.922648 -0.027682 0.768973 0.037 Uiso 1 1 calc R U . . .
C8 C 1.1312(6) 0.8176(3) 0.57940(16) 0.0263(14) Uani 1 1 d . . . . .
H8 H 1.089240 0.847954 0.591659 0.032 Uiso 1 1 calc R U . . .
C69 C 0.2615(6) 0.5396(3) 0.66583(17) 0.0268(14) Uani 1 1 d . . . . .
C65 C 0.8684(6) -0.0206(3) 0.71965(15) 0.0239(14) Uani 1 1 d . . . . .
H65 H 0.832422 0.020847 0.720172 0.029 Uiso 1 1 calc R U . . .
C39 C 0.2587(5) 0.2278(3) 0.61921(15) 0.0177(12) Uani 1 1 d . . . . .
C63 C 0.6820(6) -0.0347(3) 0.60300(15) 0.0192(13) Uani 1 1 d . . . . .
H63 H 0.632224 -0.060221 0.587049 0.023 Uiso 1 1 calc R U . . .
C56 C 0.6510(6) 0.0573(3) 0.56442(15) 0.0187(13) Uani 1 1 d . . . . .
C57 C 0.6759(6) 0.0244(3) 0.53546(16) 0.0251(14) Uani 1 1 d . . . . .
H57 H 0.718476 -0.015586 0.537010 0.030 Uiso 1 1 calc R U . . .
C12 C 1.2739(6) 0.7291(3) 0.57839(16) 0.0237(14) Uani 1 1 d . . . . .
H12 H 1.329214 0.698490 0.589824 0.028 Uiso 1 1 calc R U . . .
C9 C 1.1064(6) 0.8176(3) 0.54531(16) 0.0284(15) Uani 1 1 d . . . . .
H9 H 1.048201 0.847769 0.534572 0.034 Uiso 1 1 calc R U . . .
C70 C 0.1002(6) 0.4495(3) 0.63686(17) 0.0235(14) Uani 1 1 d . . . . .
C21 C 0.9453(6) 0.5882(3) 0.69175(17) 0.0292(15) Uani 1 1 d . . . . .
H21 H 0.994708 0.592525 0.673818 0.035 Uiso 1 1 calc R U . . .
C40 C 0.2445(6) 0.2801(3) 0.59729(15) 0.0214(13) Uani 1 1 d . . . . .
H40 H 0.244931 0.322342 0.605630 0.026 Uiso 1 1 calc R U . . .
C71 C 0.1199(6) 0.5697(3) 0.60863(15) 0.0209(13) Uani 1 1 d . . . . .
C30 C 0.6388(6) 0.4483(3) 0.55949(17) 0.0255(14) Uani 1 1 d . . . . .
C22 C 0.8301(6) 0.5522(3) 0.68842(17) 0.0256(14) Uani 1 1 d . . . . .
C2 C 1.2773(6) 0.7938(3) 0.70142(16) 0.0237(14) Uani 1 1 d . . . . .
C62 C 0.7373(6) -0.0622(3) 0.63233(15) 0.0206(13) Uani 1 1 d . . . . .
H62 H 0.726809 -0.106473 0.635953 0.025 Uiso 1 1 calc R U . . .
C72 C 0.2113(6) 0.4626(3) 0.57886(17) 0.0258(14) Uani 1 1 d . . . . .
C67 C 0.9739(6) -0.1420(3) 0.72075(17) 0.0266(15) Uani 1 1 d . . . . .
H67 H 1.009102 -0.183730 0.720970 0.032 Uiso 1 1 calc R U . . .
C34 C 0.5398(7) 0.4014(3) 0.55705(18) 0.0337(16) Uani 1 1 d . . . . .
H34 H 0.505619 0.387101 0.576301 0.040 Uiso 1 1 calc R U . . .
C23 C 0.7581(6) 0.5438(3) 0.71512(19) 0.0337(17) Uani 1 1 d . . . . .
H23 H 0.681585 0.519172 0.712554 0.040 Uiso 1 1 calc R U . . .
C26 C 0.7545(6) 0.5353(3) 0.59630(18) 0.0295(15) Uani 1 1 d . . . . .
H26 H 0.766195 0.559901 0.577340 0.035 Uiso 1 1 calc R U . . .
C10 C 1.1678(6) 0.7727(3) 0.52630(15) 0.0227(13) Uani 1 1 d . . . . .
C25 C 0.7975(6) 0.5582(3) 0.62740(18) 0.0312(16) Uani 1 1 d . . . . .
H25 H 0.837252 0.598910 0.629327 0.037 Uiso 1 1 calc R U . . .
C11 C 1.2527(6) 0.7277(3) 0.54399(16) 0.0260(14) Uani 1 1 d . . . . .
H11 H 1.294826 0.696617 0.532202 0.031 Uiso 1 1 calc R U . . .
C58 C 0.6363(6) 0.0521(3) 0.50416(16) 0.0238(14) Uani 1 1 d . . . . .
H58 H 0.651542 0.030537 0.484526 0.029 Uiso 1 1 calc R U . . .
C59 C 0.7687(6) 0.0672(3) 0.62047(15) 0.0205(13) Uani 1 1 d . . . . .
H59 H 0.779724 0.111197 0.616059 0.025 Uiso 1 1 calc R U . . .
C20 C 0.9850(6) 0.6177(3) 0.72271(18) 0.0305(15) Uani 1 1 d . . . . .
H20 H 1.060892 0.642811 0.725219 0.037 Uiso 1 1 calc R U . . .
C6 C 1.2410(6) 0.7244(3) 0.65273(16) 0.0260(14) Uani 1 1 d . . . . .
H6 H 1.229865 0.683169 0.643216 0.031 Uiso 1 1 calc R U . . .
C37 C 0.2434(6) 0.1539(3) 0.57315(15) 0.0238(14) Uani 1 1 d . . . . .
H37 H 0.243072 0.111543 0.564979 0.029 Uiso 1 1 calc R U . . .
C1 C 1.2941(6) 0.8033(3) 0.73926(16) 0.0261(14) Uani 1 1 d . . . . .
C24 C 0.8009(6) 0.5726(3) 0.74587(19) 0.0360(17) Uani 1 1 d . . . . .
H24 H 0.753683 0.566597 0.764093 0.043 Uiso 1 1 calc R U . . .
C18 C 0.9603(6) 0.6437(3) 0.78279(19) 0.0309(16) Uani 1 1 d . . . . .
C27 C 0.6926(6) 0.4747(3) 0.59272(17) 0.0225(14) Uani 1 1 d . . . . .
C14 C 1.1058(6) 0.8319(3) 0.47236(16) 0.0281(15) Uani 1 1 d . . . . .
H14 H 1.097887 0.870251 0.484351 0.034 Uiso 1 1 calc R U . . .
O23 O 0.0953(8) 0.3982(4) 0.49052(16) 0.090(3) Uani 1 1 d . . . . .
C38 C 0.2563(6) 0.1642(3) 0.60733(15) 0.0240(14) Uani 1 1 d . . . . .
H38 H 0.263139 0.129257 0.622239 0.029 Uiso 1 1 calc R U . . .
C33 C 0.4931(7) 0.3765(4) 0.52604(18) 0.0373(18) Uani 1 1 d . . . . .
H33 H 0.428010 0.344796 0.525016 0.045 Uiso 1 1 calc R U . . .
C35 C 0.2173(6) 0.1921(3) 0.51339(16) 0.0238(14) Uani 1 1 d . . . . .
C3 C 1.2807(6) 0.8476(3) 0.68078(17) 0.0306(15) Uani 1 1 d . . . . .
H3 H 1.295802 0.888661 0.690256 0.037 Uiso 1 1 calc R U . . .
C29 C 0.7289(6) 0.4649(3) 0.65309(17) 0.0253(14) Uani 1 1 d . . . . .
H29 H 0.721682 0.440468 0.672385 0.030 Uiso 1 1 calc R U . . .
C4 C 1.2620(6) 0.8408(3) 0.64622(16) 0.0275(15) Uani 1 1 d . . . . .
H4 H 1.263558 0.877008 0.632322 0.033 Uiso 1 1 calc R U . . .
C28 C 0.6828(6) 0.4403(3) 0.62221(17) 0.0263(15) Uani 1 1 d . . . . .
H28 H 0.643666 0.399387 0.620893 0.032 Uiso 1 1 calc R U . . .
C13 C 1.1429(6) 0.7741(3) 0.48913(16) 0.0255(14) Uani 1 1 d . . . . .
C44 C 0.3246(6) 0.2577(3) 0.72438(16) 0.0220(14) Uani 1 1 d . . . . .
C41 C 0.2297(6) 0.2692(3) 0.56282(16) 0.0233(14) Uani 1 1 d . . . . .
H41 H 0.218871 0.304116 0.547943 0.028 Uiso 1 1 calc R U . . .
C7 C 1.2581(6) 0.7326(3) 0.68718(16) 0.0267(14) Uani 1 1 d . . . . .
H7 H 1.256771 0.696378 0.701110 0.032 Uiso 1 1 calc R U . . .
C31 C 0.6811(6) 0.4691(3) 0.52949(17) 0.0298(15) Uani 1 1 d . . . . .
H31 H 0.745108 0.501222 0.529719 0.036 Uiso 1 1 calc R U . . .
C73 C 0.3748(6) 0.5545(3) 0.61003(18) 0.0285(15) Uani 1 1 d . . . . .
C47 C 0.3550(5) 0.2689(3) 0.76107(16) 0.0227(13) Uani 1 1 d . . . . .
C51 C 0.3660(6) 0.3317(3) 0.77378(16) 0.0273(15) Uani 1 1 d . . . . .
H51 H 0.353134 0.367401 0.759491 0.033 Uiso 1 1 calc R U . . .
C48 C 0.3739(6) 0.2169(3) 0.78372(16) 0.0305(15) Uani 1 1 d . . . . .
H48 H 0.368630 0.174064 0.776136 0.037 Uiso 1 1 calc R U . . .
C50 C 0.3966(6) 0.3401(3) 0.80829(17) 0.0309(16) Uani 1 1 d . . . . .
H50 H 0.406901 0.382373 0.816500 0.037 Uiso 1 1 calc R U . . .
C32 C 0.6276(7) 0.4420(3) 0.49931(19) 0.0372(17) Uani 1 1 d . . . . .
H32 H 0.656571 0.456911 0.479502 0.045 Uiso 1 1 calc R U . . .
C15 C 1.0811(6) 0.8313(4) 0.43774(17) 0.0315(16) Uani 1 1 d . . . . .
H15 H 1.055750 0.870129 0.426914 0.038 Uiso 1 1 calc R U . . .
C49 C 0.4006(7) 0.2308(4) 0.81762(17) 0.0350(16) Uani 1 1 d . . . . .
H49 H 0.411388 0.196136 0.832642 0.042 Uiso 1 1 calc R U . . .
C17 C 1.1537(7) 0.7187(4) 0.46964(17) 0.0360(17) Uani 1 1 d . . . . .
H17 H 1.179123 0.679203 0.479742 0.043 Uiso 1 1 calc R U . . .
C16 C 1.1257(7) 0.7233(4) 0.43472(18) 0.0402(18) Uani 1 1 d . . . . .
H16 H 1.131464 0.685878 0.421885 0.048 Uiso 1 1 calc R U . . .
O24 O 1.4375(10) 0.9741(4) 0.7296(3) 0.146(4) Uani 1 1 d D . . . .
O28 O 0.0737(11) 0.0189(4) 0.5266(3) 0.145(4) Uani 1 1 d . . . . .
O27 O 0.6564(14) 0.0099(5) 0.4133(3) 0.193(7) Uani 1 1 d . . . . .
C75 C -0.0251(11) 0.4230(6) 0.4863(3) 0.085(3) Uani 1 1 d . . . . .
H75A H -0.059060 0.424975 0.507652 0.128 Uiso 1 1 calc R U . . .
H75B H -0.080816 0.395963 0.471139 0.128 Uiso 1 1 calc R U . . .
H75C H -0.022395 0.466085 0.477073 0.128 Uiso 1 1 calc R U . . .
O30 O 0.8964(14) 0.5357(6) 0.9008(4) 0.226(7) Uani 1 1 d D U . . .
N11 N 0.9515(11) 0.4815(5) 0.8979(3) 0.117(4) Uani 1 1 d D U . . .
O32 O 0.9202(13) 0.4594(8) 0.8688(3) 0.252(7) Uani 1 1 d D U . . .
H17A H 0.459920 0.356040 0.460066 0.303 Uiso 1 1 d R U . . .
H11A H 1.062011 0.860080 0.826746 0.303 Uiso 1 1 d R U . . .
H9A H 1.340121 0.620780 0.782666 0.303 Uiso 1 1 d R U . . .
H10A H 1.395321 0.836580 0.795056 0.303 Uiso 1 1 d R U . . .
H17B H 0.437200 0.355710 0.423876 0.303 Uiso 1 1 d R U . . .
H19A H 0.482291 0.173450 0.410226 0.303 Uiso 1 1 d R U . . .
H18A H 0.057630 0.336180 0.426766 0.303 Uiso 1 1 d R U . . .
H18B H 0.099920 0.333580 0.461176 0.303 Uiso 1 1 d R U . . .
H12A H 1.009480 0.677400 0.841626 0.303 Uiso 1 1 d R U . . .
H9B H 1.367630 0.617290 0.821276 0.303 Uiso 1 1 d R U . . .
H10B H 1.431221 0.837980 0.832556 0.303 Uiso 1 1 d R U . . .
H19B H 0.434821 0.204780 0.377076 0.303 Uiso 1 1 d R U . . .
H11B H 1.062971 0.858190 0.790406 0.303 Uiso 1 1 d R U . . .
H16A H 0.139520 0.115480 0.429156 0.303 Uiso 1 1 d R U . . .
H16B H 0.187720 0.125080 0.463376 0.303 Uiso 1 1 d R U . . .
H12B H 1.097091 0.714390 0.874226 0.303 Uiso 1 1 d R U . . .
H23A H 0.128800 0.401970 0.512836 0.303 Uiso 1 1 d R U . . .
H25A H 1.371601 0.580820 0.732576 0.303 Uiso 1 1 d R U . . .
H25B H 1.464501 0.551940 0.758636 0.303 Uiso 1 1 d R U . . .
H27A H 0.638250 0.047320 0.423356 0.303 Uiso 1 1 d R U . . .
H27B H 0.733411 0.002140 0.411106 0.303 Uiso 1 1 d R U . . .
H24A H 1.399121 0.937010 0.738956 0.303 Uiso 1 1 d R U . . .
H28A H 0.106330 0.055770 0.520106 0.303 Uiso 1 1 d R U . . .
H28B H 0.078700 0.023250 0.550956 0.303 Uiso 1 1 d R U . . .
H29A H 1.450031 0.545090 0.863096 0.303 Uiso 1 1 d R U . . .
H29B H 1.570761 0.521790 0.855146 0.303 Uiso 1 1 d R U . . .
O33 O 1.2202(13) 1.0228(6) 0.6725(3) 0.229(7) Uani 1 1 d . U . . .
H33A H 1.166733 1.000921 0.658153 0.275 Uiso 1 1 d R U . . .
H33B H 1.174823 1.056710 0.677993 0.275 Uiso 1 1 d R U . . .
H24B H 1.376753 0.985711 0.713613 0.275 Uiso 1 1 d DR 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 O21 2.499(4) . ?
Eu01 O8 2.346(4) . ?
Eu01 O17 2.384(4) . ?
Eu01 O19 2.400(4) . ?
Eu01 O16 2.387(4) . ?
Eu01 O20 2.517(4) . ?
Eu01 O5 2.408(4) . ?
Eu01 O18 2.374(4) . ?
Eu01 N10 2.947(5) . ?
Eu01 H19A 2.7605 . ?
Eu02 O14 2.520(4) . ?
Eu02 O11 2.373(4) . ?
Eu02 O9 2.402(4) . ?
Eu02 O2 2.360(5) . ?
Eu02 O10 2.403(4) . ?
Eu02 O12 2.404(4) . ?
Eu02 O13 2.501(4) . ?
Eu02 O3 2.343(5) . ?
Eu02 N9 2.936(6) . ?
Eu02 H10A 2.7982 . ?
Co03 C74 1.893(6) . ?
Co03 C69 1.876(7) . ?
Co03 C70 1.900(6) . ?
Co03 C71 1.890(6) . ?
Co03 C72 1.923(7) . ?
Co03 C73 1.904(7) . ?
O14 N9 1.267(6) . ?
O21 N10 1.277(6) . ?
O8 C52 1.265(7) . ?
O7 C52 1.248(7) . ?
O11 H11A 0.9543 . ?
O11 H11B 0.8768 . ?
O17 H17A 0.9083 . ?
O17 H17B 0.8407 . ?
O9 H9A 0.9451 . ?
O9 H9B 0.8916 . ?
O6 C35 1.270(7) . ?
O19 H19A 0.8613 . ?
O19 H19B 0.8645 . ?
O16 H16A 0.8614 . ?
O16 H16B 0.9359 . ?
O2 C1 1.248(8) . ?
O4 C18 1.262(8) . ?
O10 H10A 0.8467 . ?
O10 H10B 0.9393 . ?
O20 N10 1.279(6) . ?
O12 H12A 0.8775 . ?
O12 H12B 0.9717 . ?
O13 N9 1.277(7) . ?
O5 C35 1.266(7) . ?
O18 H18A 0.9100 . ?
O18 H18B 0.8848 . ?
O1 C1 1.256(8) . ?
O3 C18 1.264(8) . ?
N5 C42 1.356(7) . ?
N5 C46 1.353(8) . ?
N5 C39 1.453(7) . ?
O22 N10 1.208(6) . ?
N12 C74 1.156(8) . ?
N7 C63 1.355(7) . ?
N7 C56 1.450(7) . ?
N7 C59 1.358(7) . ?
N14 C71 1.155(8) . ?
N8 C66 1.349(8) . ?
N8 C67 1.336(8) . ?
N3 C22 1.452(8) . ?
N3 C25 1.351(8) . ?
N3 C29 1.346(8) . ?
N1 C5 1.457(8) . ?
N1 C8 1.350(8) . ?
N1 C12 1.357(8) . ?
N9 O15 1.219(7) . ?
O25 H25A 0.8990 . ?
O25 H25B 0.8886 . ?
N4 C33 1.338(9) . ?
N4 C32 1.338(9) . ?
C42 H42 0.9300 . ?
C42 C43 1.369(8) . ?
N13 C70 1.158(8) . ?
N6 C50 1.328(9) . ?
N6 C49 1.344(9) . ?
N16 C73 1.148(8) . ?
C43 H43 0.9300 . ?
C43 C44 1.387(8) . ?
C52 C53 1.511(8) . ?
N2 C15 1.324(9) . ?
N2 C16 1.336(9) . ?
C55 H55 0.9300 . ?
C55 C54 1.363(8) . ?
C55 C56 1.386(8) . ?
C61 C64 1.492(8) . ?
C61 C60 1.403(8) . ?
C61 C62 1.392(8) . ?
N17 C72 1.135(8) . ?
N15 C69 1.149(8) . ?
C54 H54 0.9300 . ?
C54 C53 1.395(8) . ?
O31 N11 1.171(8) . ?
C64 C68 1.382(8) . ?
C64 C65 1.387(8) . ?
C53 C58 1.401(8) . ?
C60 H60 0.9300 . ?
C60 C59 1.362(8) . ?
C45 H45 0.9300 . ?
C45 C46 1.370(8) . ?
C45 C44 1.391(9) . ?
C5 C6 1.391(9) . ?
C5 C4 1.377(9) . ?
O29 H29A 0.9491 . ?
O29 H29B 0.9493 . ?
C19 C20 1.377(9) . ?
C19 C24 1.390(9) . ?
C19 C18 1.516(9) . ?
C46 H46 0.9300 . ?
C36 C37 1.390(8) . ?
C36 C35 1.498(8) . ?
C36 C41 1.399(8) . ?
C68 H68 0.9300 . ?
C68 C67 1.404(8) . ?
C66 H66 0.9300 . ?
C66 C65 1.375(9) . ?
C8 H8 0.9300 . ?
C8 C9 1.356(9) . ?
C65 H65 0.9300 . ?
C39 C40 1.383(8) . ?
C39 C38 1.390(8) . ?
C63 H63 0.9300 . ?
C63 C62 1.363(8) . ?
C56 C57 1.389(8) . ?
C57 H57 0.9300 . ?
C57 C58 1.390(8) . ?
C12 H12 0.9300 . ?
C12 C11 1.367(9) . ?
C9 H9 0.9300 . ?
C9 C10 1.393(9) . ?
C21 H21 0.9300 . ?
C21 C22 1.388(9) . ?
C21 C20 1.395(9) . ?
C40 H40 0.9300 . ?
C40 C41 1.386(8) . ?
C30 C34 1.396(9) . ?
C30 C27 1.479(9) . ?
C30 C31 1.390(9) . ?
C22 C23 1.379(9) . ?
C2 C1 1.514(9) . ?
C2 C3 1.382(9) . ?
C2 C7 1.386(9) . ?
C62 H62 0.9300 . ?
C67 H67 0.9300 . ?
C34 H34 0.9300 . ?
C34 C33 1.374(9) . ?
C23 H23 0.9300 . ?
C23 C24 1.388(10) . ?
C26 H26 0.9300 . ?
C26 C25 1.353(9) . ?
C26 C27 1.399(8) . ?
C10 C11 1.402(9) . ?
C10 C13 1.478(8) . ?
C25 H25 0.9300 . ?
C11 H11 0.9300 . ?
C58 H58 0.9300 . ?
C59 H59 0.9300 . ?
C20 H20 0.9300 . ?
C6 H6 0.9300 . ?
C6 C7 1.378(9) . ?
C37 H37 0.9300 . ?
C37 C38 1.373(8) . ?
C24 H24 0.9300 . ?
C27 C28 1.388(9) . ?
C14 H14 0.9300 . ?
C14 C13 1.396(9) . ?
C14 C15 1.377(9) . ?
O23 C75 1.329(12) . ?
O23 H23A 0.9203 . ?
C38 H38 0.9300 . ?
C33 H33 0.9300 . ?
C3 H3 0.9300 . ?
C3 C4 1.379(9) . ?
C29 H29 0.9300 . ?
C29 C28 1.365(9) . ?
C4 H4 0.9300 . ?
C28 H28 0.9300 . ?
C13 C17 1.390(10) . ?
C44 C47 1.480(9) . ?
C41 H41 0.9300 . ?
C7 H7 0.9300 . ?
C31 H31 0.9300 . ?
C31 C32 1.382(10) . ?
C47 C51 1.386(9) . ?
C47 C48 1.399(9) . ?
C51 H51 0.9300 . ?
C51 C50 1.389(9) . ?
C48 H48 0.9300 . ?
C48 C49 1.380(9) . ?
C50 H50 0.9300 . ?
C32 H32 0.9300 . ?
C15 H15 0.9300 . ?
C49 H49 0.9300 . ?
C17 H17 0.9300 . ?
C17 C16 1.394(9) . ?
C16 H16 0.9300 . ?
O24 H24A 0.9538 . ?
O24 H24B 0.8720 . ?
O28 H28A 0.8802 . ?
O28 H28B 0.9709 . ?
O27 H27A 0.8972 . ?
O27 H27B 0.8209 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
O30 N11 1.260(8) . ?
N11 O32 1.256(8) . ?
O33 H33A 0.8708 . ?
O33 H33B 0.8804 . ?

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
O21 Eu01 O20 51.00(13) . . ?
O21 Eu01 N10 25.45(13) . . ?
O21 Eu01 H19A 89.0 . . ?
O8 Eu01 O21 138.45(14) . . ?
O8 Eu01 O17 82.98(14) . . ?
O8 Eu01 O19 72.82(14) . . ?
O8 Eu01 O16 80.50(14) . . ?
O8 Eu01 O20 138.19(14) . . ?
O8 Eu01 O5 72.82(15) . . ?
O8 Eu01 O18 139.09(15) . . ?
O8 Eu01 N10 146.15(14) . . ?
O8 Eu01 H19A 56.0 . . ?
O17 Eu01 O21 75.18(14) . . ?
O17 Eu01 O19 88.39(15) . . ?
O17 Eu01 O16 163.46(14) . . ?
O17 Eu01 O20 126.11(14) . . ?
O17 Eu01 O5 97.39(15) . . ?
O17 Eu01 N10 100.59(14) . . ?
O17 Eu01 H19A 90.8 . . ?
O19 Eu01 O21 71.68(13) . . ?
O19 Eu01 O20 78.29(14) . . ?
O19 Eu01 O5 144.11(14) . . ?
O19 Eu01 N10 73.65(14) . . ?
O19 Eu01 H19A 17.5 . . ?
O16 Eu01 O21 118.47(14) . . ?
O16 Eu01 O19 87.53(14) . . ?
O16 Eu01 O20 68.55(13) . . ?
O16 Eu01 O5 76.95(14) . . ?
O16 Eu01 N10 93.63(14) . . ?
O16 Eu01 H19A 80.6 . . ?
O20 Eu01 N10 25.55(13) . . ?
O20 Eu01 H19A 90.7 . . ?
O5 Eu01 O21 144.02(14) . . ?
O5 Eu01 O20 123.35(15) . . ?
O5 Eu01 N10 138.58(15) . . ?
O5 Eu01 H19A 126.6 . . ?
O18 Eu01 O21 74.83(14) . . ?
O18 Eu01 O17 86.45(15) . . ?
O18 Eu01 O19 146.33(14) . . ?
O18 Eu01 O16 105.60(15) . . ?
O18 Eu01 O20 78.10(15) . . ?
O18 Eu01 O5 69.55(14) . . ?
O18 Eu01 N10 74.67(14) . . ?
O18 Eu01 H19A 163.8 . . ?
N10 Eu01 H19A 90.2 . . ?
O14 Eu02 N9 25.42(13) . . ?
O14 Eu02 H10A 82.4 . . ?
O11 Eu02 O14 76.04(14) . . ?
O11 Eu02 O9 165.39(15) . . ?
O11 Eu02 O10 84.72(14) . . ?
O11 Eu02 O12 87.13(14) . . ?
O11 Eu02 O13 126.94(14) . . ?
O11 Eu02 N9 101.33(14) . . ?
O11 Eu02 H10A 76.1 . . ?
O9 Eu02 O14 118.52(15) . . ?
O9 Eu02 O10 100.87(15) . . ?
O9 Eu02 O12 96.70(15) . . ?
O9 Eu02 O13 67.66(15) . . ?
O9 Eu02 N9 93.27(15) . . ?
O9 Eu02 H10A 105.7 . . ?
O2 Eu02 O14 140.39(14) . . ?
O2 Eu02 O11 86.65(15) . . ?
O2 Eu02 O9 82.24(16) . . ?
O2 Eu02 O10 72.72(15) . . ?
O2 Eu02 O12 145.60(15) . . ?
O2 Eu02 O13 131.17(16) . . ?
O2 Eu02 N9 140.93(16) . . ?
O2 Eu02 H10A 58.7 . . ?
O10 Eu02 O14 70.46(14) . . ?
O10 Eu02 O12 140.12(14) . . ?
O10 Eu02 O13 76.26(15) . . ?
O10 Eu02 N9 70.10(15) . . ?
O10 Eu02 H10A 16.6 . . ?
O12 Eu02 O14 69.69(14) . . ?
O12 Eu02 O13 77.89(15) . . ?
O12 Eu02 N9 73.42(15) . . ?
O12 Eu02 H10A 150.3 . . ?
O13 Eu02 O14 50.96(14) . . ?
O13 Eu02 N9 25.61(14) . . ?
O13 Eu02 H10A 92.7 . . ?
O3 Eu02 O14 138.23(15) . . ?
O3 Eu02 O11 88.63(16) . . ?
O3 Eu02 O9 79.39(17) . . ?
O3 Eu02 O2 75.09(16) . . ?
O3 Eu02 O10 147.43(16) . . ?
O3 Eu02 O12 70.96(15) . . ?
O3 Eu02 O13 131.05(16) . . ?
O3 Eu02 N9 142.40(16) . . ?
O3 Eu02 H10A 131.6 . . ?
N9 Eu02 H10A 85.9 . . ?
C74 Co03 C70 87.9(2) . . ?
C74 Co03 C72 90.5(3) . . ?
C74 Co03 C73 92.1(3) . . ?
C69 Co03 C74 89.6(3) . . ?
C69 Co03 C70 89.4(3) . . ?
C69 Co03 C71 88.8(3) . . ?
C69 Co03 C72 179.8(3) . . ?
C69 Co03 C73 89.1(3) . . ?
C70 Co03 C72 90.5(3) . . ?
C70 Co03 C73 178.5(3) . . ?
C71 Co03 C74 178.4(3) . . ?
C71 Co03 C70 92.3(3) . . ?
C71 Co03 C72 91.1(3) . . ?
C71 Co03 C73 87.7(3) . . ?
C73 Co03 C72 90.9(3) . . ?
N9 O14 Eu02 95.9(3) . . ?
N10 O21 Eu01 97.3(3) . . ?
C52 O8 Eu01 135.7(4) . . ?
Eu02 O11 H11A 126.5 . . ?
Eu02 O11 H11B 128.4 . . ?
H11A O11 H11B 105.1 . . ?
Eu01 O17 H17A 129.6 . . ?
Eu01 O17 H17B 119.5 . . ?
H17A O17 H17B 110.5 . . ?
Eu02 O9 H9A 126.6 . . ?
Eu02 O9 H9B 118.9 . . ?
H9A O9 H9B 113.6 . . ?
Eu01 O19 H19A 105.7 . . ?
Eu01 O19 H19B 133.4 . . ?
H19A O19 H19B 120.9 . . ?
Eu01 O16 H16A 127.0 . . ?
Eu01 O16 H16B 110.8 . . ?
H16A O16 H16B 103.5 . . ?
C1 O2 Eu02 136.9(4) . . ?
Eu02 O10 H10A 109.2 . . ?
Eu02 O10 H10B 117.7 . . ?
H10A O10 H10B 114.2 . . ?
N10 O20 Eu01 96.4(3) . . ?
Eu02 O12 H12A 115.7 . . ?
Eu02 O12 H12B 114.4 . . ?
H12A O12 H12B 129.8 . . ?
N9 O13 Eu02 96.6(3) . . ?
C35 O5 Eu01 133.1(4) . . ?
Eu01 O18 H18A 128.7 . . ?
Eu01 O18 H18B 122.0 . . ?
H18A O18 H18B 101.8 . . ?
C18 O3 Eu02 145.5(5) . . ?
C42 N5 C39 118.8(5) . . ?
C46 N5 C42 120.1(5) . . ?
C46 N5 C39 121.2(5) . . ?
O21 N10 Eu01 57.3(3) . . ?
O21 N10 O20 115.3(5) . . ?
O20 N10 Eu01 58.1(3) . . ?
O22 N10 Eu01 179.8(5) . . ?
O22 N10 O21 122.5(5) . . ?
O22 N10 O20 122.1(5) . . ?
C63 N7 C56 120.6(5) . . ?
C63 N7 C59 119.9(5) . . ?
C59 N7 C56 119.4(5) . . ?
C67 N8 C66 116.6(5) . . ?
C25 N3 C22 119.8(5) . . ?
C29 N3 C22 121.2(6) . . ?
C29 N3 C25 119.0(6) . . ?
C8 N1 C5 118.6(5) . . ?
C8 N1 C12 119.5(5) . . ?
C12 N1 C5 121.9(5) . . ?
O14 N9 Eu02 58.6(3) . . ?
O14 N9 O13 116.2(5) . . ?
O13 N9 Eu02 57.8(3) . . ?
O15 N9 Eu02 175.3(4) . . ?
O15 N9 O14 122.0(5) . . ?
O15 N9 O13 121.8(5) . . ?
H25A O25 H25B 108.7 . . ?
C32 N4 C33 117.0(6) . . ?
N5 C42 H42 119.9 . . ?
N5 C42 C43 120.2(5) . . ?
C43 C42 H42 119.9 . . ?
C50 N6 C49 116.8(6) . . ?
C42 C43 H43 119.4 . . ?
C42 C43 C44 121.2(6) . . ?
C44 C43 H43 119.4 . . ?
O8 C52 C53 115.6(5) . . ?
O7 C52 O8 124.6(5) . . ?
O7 C52 C53 119.8(5) . . ?
C15 N2 C16 117.3(6) . . ?
C54 C55 H55 120.5 . . ?
C54 C55 C56 119.1(6) . . ?
C56 C55 H55 120.5 . . ?
C60 C61 C64 120.8(5) . . ?
C62 C61 C64 121.4(5) . . ?
C62 C61 C60 117.8(6) . . ?
C55 C54 H54 119.5 . . ?
C55 C54 C53 121.0(5) . . ?
C53 C54 H54 119.5 . . ?
C68 C64 C61 119.7(6) . . ?
C68 C64 C65 119.1(6) . . ?
C65 C64 C61 121.2(5) . . ?
C54 C53 C52 120.5(5) . . ?
C54 C53 C58 119.8(5) . . ?
C58 C53 C52 119.8(5) . . ?
C61 C60 H60 120.2 . . ?
C59 C60 C61 119.6(6) . . ?
C59 C60 H60 120.2 . . ?
C46 C45 H45 119.8 . . ?
C46 C45 C44 120.5(6) . . ?
C44 C45 H45 119.8 . . ?
C6 C5 N1 120.8(5) . . ?
C4 C5 N1 117.5(5) . . ?
C4 C5 C6 121.7(6) . . ?
H29A O29 H29B 95.0 . . ?
N12 C74 Co03 177.0(5) . . ?
C20 C19 C24 119.2(6) . . ?
C20 C19 C18 119.6(6) . . ?
C24 C19 C18 121.2(6) . . ?
N5 C46 C45 120.8(6) . . ?
N5 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C37 C36 C35 119.7(5) . . ?
C37 C36 C41 119.1(6) . . ?
C41 C36 C35 121.2(5) . . ?
C64 C68 H68 121.0 . . ?
C64 C68 C67 118.1(6) . . ?
C67 C68 H68 121.0 . . ?
N8 C66 H66 118.0 . . ?
N8 C66 C65 124.0(6) . . ?
C65 C66 H66 118.0 . . ?
N1 C8 H8 119.1 . . ?
N1 C8 C9 121.8(6) . . ?
C9 C8 H8 119.1 . . ?
N15 C69 Co03 178.5(6) . . ?
C64 C65 H65 120.7 . . ?
C66 C65 C64 118.6(6) . . ?
C66 C65 H65 120.7 . . ?
C40 C39 N5 120.4(5) . . ?
C40 C39 C38 121.2(6) . . ?
C38 C39 N5 118.4(5) . . ?
N7 C63 H63 119.7 . . ?
N7 C63 C62 120.6(5) . . ?
C62 C63 H63 119.7 . . ?
C55 C56 N7 120.0(5) . . ?
C55 C56 C57 121.5(5) . . ?
C57 C56 N7 118.5(5) . . ?
C56 C57 H57 120.4 . . ?
C56 C57 C58 119.2(5) . . ?
C58 C57 H57 120.4 . . ?
N1 C12 H12 119.7 . . ?
N1 C12 C11 120.6(6) . . ?
C11 C12 H12 119.7 . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.3(6) . . ?
C10 C9 H9 119.8 . . ?
N13 C70 Co03 176.6(6) . . ?
C22 C21 H21 120.9 . . ?
C22 C21 C20 118.2(6) . . ?
C20 C21 H21 120.9 . . ?
C39 C40 H40 120.1 . . ?
C39 C40 C41 119.7(6) . . ?
C41 C40 H40 120.1 . . ?
N14 C71 Co03 176.8(6) . . ?
C34 C30 C27 120.4(6) . . ?
C31 C30 C34 116.8(6) . . ?
C31 C30 C27 122.7(6) . . ?
C21 C22 N3 118.4(6) . . ?
C23 C22 N3 120.2(6) . . ?
C23 C22 C21 121.4(6) . . ?
C3 C2 C1 119.1(6) . . ?
C3 C2 C7 119.6(6) . . ?
C7 C2 C1 121.4(6) . . ?
C61 C62 H62 119.7 . . ?
C63 C62 C61 120.7(5) . . ?
C63 C62 H62 119.7 . . ?
N17 C72 Co03 179.7(7) . . ?
N8 C67 C68 123.6(6) . . ?
N8 C67 H67 118.2 . . ?
C68 C67 H67 118.2 . . ?
C30 C34 H34 120.2 . . ?
C33 C34 C30 119.6(6) . . ?
C33 C34 H34 120.2 . . ?
C22 C23 H23 120.3 . . ?
C22 C23 C24 119.3(6) . . ?
C24 C23 H23 120.3 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.9(6) . . ?
C27 C26 H26 120.1 . . ?
C9 C10 C11 117.1(6) . . ?
C9 C10 C13 120.0(6) . . ?
C11 C10 C13 122.9(6) . . ?
N3 C25 C26 122.5(6) . . ?
N3 C25 H25 118.7 . . ?
C26 C25 H25 118.7 . . ?
C12 C11 C10 120.6(6) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C53 C58 H58 120.3 . . ?
C57 C58 C53 119.4(6) . . ?
C57 C58 H58 120.3 . . ?
N7 C59 C60 121.4(5) . . ?
N7 C59 H59 119.3 . . ?
C60 C59 H59 119.3 . . ?
C19 C20 C21 121.3(6) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
C5 C6 H6 121.0 . . ?
C7 C6 C5 118.1(6) . . ?
C7 C6 H6 121.0 . . ?
C36 C37 H37 119.3 . . ?
C38 C37 C36 121.5(6) . . ?
C38 C37 H37 119.3 . . ?
O2 C1 O1 125.1(6) . . ?
O2 C1 C2 116.5(6) . . ?
O1 C1 C2 118.4(6) . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.5(7) . . ?
C23 C24 H24 119.8 . . ?
O4 C18 O3 124.2(6) . . ?
O4 C18 C19 119.8(6) . . ?
O3 C18 C19 116.1(6) . . ?
C26 C27 C30 122.3(6) . . ?
C28 C27 C30 121.3(5) . . ?
C28 C27 C26 116.4(6) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
C15 C14 C13 118.8(7) . . ?
C75 O23 H23A 109.0 . . ?
C39 C38 H38 120.7 . . ?
C37 C38 C39 118.7(6) . . ?
C37 C38 H38 120.7 . . ?
N4 C33 C34 123.6(6) . . ?
N4 C33 H33 118.2 . . ?
C34 C33 H33 118.2 . . ?
O6 C35 C36 116.6(5) . . ?
O5 C35 O6 124.2(6) . . ?
O5 C35 C36 119.1(6) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(6) . . ?
C4 C3 H3 119.8 . . ?
N3 C29 H29 119.8 . . ?
N3 C29 C28 120.3(6) . . ?
C28 C29 H29 119.8 . . ?
C5 C4 C3 119.1(6) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C27 C28 H28 119.1 . . ?
C29 C28 C27 121.8(6) . . ?
C29 C28 H28 119.1 . . ?
C14 C13 C10 120.3(6) . . ?
C17 C13 C10 122.1(6) . . ?
C17 C13 C14 117.6(6) . . ?
C43 C44 C45 117.2(6) . . ?
C43 C44 C47 120.5(6) . . ?
C45 C44 C47 122.2(5) . . ?
C36 C41 H41 120.1 . . ?
C40 C41 C36 119.8(6) . . ?
C40 C41 H41 120.1 . . ?
C2 C7 H7 119.5 . . ?
C6 C7 C2 121.1(6) . . ?
C6 C7 H7 119.5 . . ?
C30 C31 H31 120.1 . . ?
C32 C31 C30 119.7(6) . . ?
C32 C31 H31 120.1 . . ?
N16 C73 Co03 175.5(6) . . ?
C51 C47 C44 120.4(6) . . ?
C51 C47 C48 118.3(6) . . ?
C48 C47 C44 121.3(6) . . ?
C47 C51 H51 120.7 . . ?
C47 C51 C50 118.6(6) . . ?
C50 C51 H51 120.7 . . ?
C47 C48 H48 120.9 . . ?
C49 C48 C47 118.2(7) . . ?
C49 C48 H48 120.9 . . ?
N6 C50 C51 123.9(6) . . ?
N6 C50 H50 118.0 . . ?
C51 C50 H50 118.0 . . ?
N4 C32 C31 123.2(7) . . ?
N4 C32 H32 118.4 . . ?
C31 C32 H32 118.4 . . ?
N2 C15 C14 124.3(7) . . ?
N2 C15 H15 117.9 . . ?
C14 C15 H15 117.9 . . ?
N6 C49 C48 124.0(7) . . ?
N6 C49 H49 118.0 . . ?
C48 C49 H49 118.0 . . ?
C13 C17 H17 120.5 . . ?
C13 C17 C16 119.0(7) . . ?
C16 C17 H17 120.5 . . ?
N2 C16 C17 123.0(7) . . ?
N2 C16 H16 118.5 . . ?
C17 C16 H16 118.5 . . ?
H24A O24 H24B 102.3 . . ?
H28A O28 H28B 104.0 . . ?
H27A O27 H27B 117.9 . . ?
O23 C75 H75A 109.5 . . ?
O23 C75 H75B 109.5 . . ?
O23 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
O31 N11 O30 122.8(11) . . ?
O31 N11 O32 127.2(11) . . ?
O32 N11 O30 109.5(11) . . ?
H33A O33 H33B 105.1 . . ?

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 O21 N10 O20 -1.2(5) . . . . ?
Eu01 O21 N10 O22 180.0(5) . . . . ?
Eu01 O8 C52 O7 38.7(9) . . . . ?
Eu01 O8 C52 C53 -140.6(4) . . . . ?
Eu01 O20 N10 O21 1.2(5) . . . . ?
Eu01 O20 N10 O22 180.0(5) . . . . ?
Eu01 O5 C35 O6 -20.6(9) . . . . ?
Eu01 O5 C35 C36 159.0(4) . . . . ?
Eu02 O14 N9 O13 -5.6(5) . . . . ?
Eu02 O14 N9 O15 174.5(5) . . . . ?
Eu02 O2 C1 O1 10.5(11) . . . . ?
Eu02 O2 C1 C2 -170.8(4) . . . . ?
Eu02 O13 N9 O14 5.7(5) . . . . ?
Eu02 O13 N9 O15 -174.4(5) . . . . ?
Eu02 O3 C18 O4 25.5(12) . . . . ?
Eu02 O3 C18 C19 -154.8(6) . . . . ?
O8 C52 C53 C54 -4.2(8) . . . . ?
O8 C52 C53 C58 174.5(5) . . . . ?
O7 C52 C53 C54 176.4(5) . . . . ?
O7 C52 C53 C58 -4.9(8) . . . . ?
N5 C42 C43 C44 -2.5(9) . . . . ?
N5 C39 C40 C41 177.7(5) . . . . ?
N5 C39 C38 C37 -176.8(5) . . . . ?
N7 C63 C62 C61 1.7(9) . . . . ?
N7 C56 C57 C58 -176.8(5) . . . . ?
N8 C66 C65 C64 -1.1(10) . . . . ?
N3 C22 C23 C24 -178.1(6) . . . . ?
N3 C29 C28 C27 0.6(9) . . . . ?
N1 C5 C6 C7 -176.1(5) . . . . ?
N1 C5 C4 C3 177.0(6) . . . . ?
N1 C8 C9 C10 0.0(10) . . . . ?
N1 C12 C11 C10 -1.1(9) . . . . ?
C42 N5 C46 C45 0.8(9) . . . . ?
C42 N5 C39 C40 -142.7(6) . . . . ?
C42 N5 C39 C38 36.2(8) . . . . ?
C42 C43 C44 C45 2.4(9) . . . . ?
C42 C43 C44 C47 -175.9(6) . . . . ?
C43 C44 C47 C51 142.4(6) . . . . ?
C43 C44 C47 C48 -37.4(9) . . . . ?
C52 C53 C58 C57 179.3(6) . . . . ?
C55 C54 C53 C52 -179.9(5) . . . . ?
C55 C54 C53 C58 1.4(9) . . . . ?
C55 C56 C57 C58 1.4(9) . . . . ?
C61 C64 C68 C67 -177.5(5) . . . . ?
C61 C64 C65 C66 178.4(6) . . . . ?
C61 C60 C59 N7 1.6(9) . . . . ?
C54 C55 C56 N7 176.2(5) . . . . ?
C54 C55 C56 C57 -2.0(9) . . . . ?
C54 C53 C58 C57 -2.0(9) . . . . ?
C64 C61 C60 C59 179.2(6) . . . . ?
C64 C61 C62 C63 179.2(6) . . . . ?
C64 C68 C67 N8 -1.0(9) . . . . ?
C60 C61 C64 C68 -142.5(6) . . . . ?
C60 C61 C64 C65 39.1(9) . . . . ?
C60 C61 C62 C63 0.0(9) . . . . ?
C45 C44 C47 C51 -35.9(9) . . . . ?
C45 C44 C47 C48 144.4(6) . . . . ?
C5 N1 C8 C9 177.3(6) . . . . ?
C5 N1 C12 C11 -176.8(6) . . . . ?
C5 C6 C7 C2 -1.2(9) . . . . ?
C46 N5 C42 C43 0.8(8) . . . . ?
C46 N5 C39 C40 36.8(8) . . . . ?
C46 N5 C39 C38 -144.4(6) . . . . ?
C46 C45 C44 C43 -0.7(9) . . . . ?
C46 C45 C44 C47 177.5(6) . . . . ?
C36 C37 C38 C39 -1.0(9) . . . . ?
C68 C64 C65 C66 0.1(9) . . . . ?
C66 N8 C67 C68 0.1(9) . . . . ?
C8 N1 C5 C6 134.5(6) . . . . ?
C8 N1 C5 C4 -44.0(8) . . . . ?
C8 N1 C12 C11 2.4(9) . . . . ?
C8 C9 C10 C11 1.2(9) . . . . ?
C8 C9 C10 C13 -178.4(6) . . . . ?
C65 C64 C68 C67 0.9(9) . . . . ?
C39 N5 C42 C43 -179.7(5) . . . . ?
C39 N5 C46 C45 -178.7(5) . . . . ?
C39 C40 C41 C36 -0.9(9) . . . . ?
C63 N7 C56 C55 135.6(6) . . . . ?
C63 N7 C56 C57 -46.1(8) . . . . ?
C63 N7 C59 C60 0.0(9) . . . . ?
C56 N7 C63 C62 174.0(5) . . . . ?
C56 N7 C59 C60 -175.7(5) . . . . ?
C56 C55 C54 C53 0.5(9) . . . . ?
C56 C57 C58 C53 0.6(9) . . . . ?
C12 N1 C5 C6 -46.4(8) . . . . ?
C12 N1 C5 C4 135.1(6) . . . . ?
C12 N1 C8 C9 -1.8(9) . . . . ?
C9 C10 C11 C12 -0.6(9) . . . . ?
C9 C10 C13 C14 26.3(9) . . . . ?
C9 C10 C13 C17 -152.9(7) . . . . ?
C21 C22 C23 C24 0.7(10) . . . . ?
C40 C39 C38 C37 2.0(9) . . . . ?
C30 C34 C33 N4 -1.0(12) . . . . ?
C30 C27 C28 C29 -178.2(6) . . . . ?
C30 C31 C32 N4 -0.6(11) . . . . ?
C22 N3 C25 C26 -178.4(6) . . . . ?
C22 N3 C29 C28 177.7(5) . . . . ?
C22 C21 C20 C19 1.4(10) . . . . ?
C22 C23 C24 C19 1.1(11) . . . . ?
C2 C3 C4 C5 -0.6(10) . . . . ?
C62 C61 C64 C68 38.3(9) . . . . ?
C62 C61 C64 C65 -140.1(6) . . . . ?
C62 C61 C60 C59 -1.6(9) . . . . ?
C67 N8 C66 C65 1.0(9) . . . . ?
C34 C30 C27 C26 -156.9(6) . . . . ?
C34 C30 C27 C28 22.5(9) . . . . ?
C34 C30 C31 C32 -1.8(10) . . . . ?
C26 C27 C28 C29 1.2(9) . . . . ?
C10 C13 C17 C16 178.5(6) . . . . ?
C25 N3 C22 C21 -38.5(8) . . . . ?
C25 N3 C22 C23 140.3(6) . . . . ?
C25 N3 C29 C28 -1.6(9) . . . . ?
C25 C26 C27 C30 177.5(6) . . . . ?
C25 C26 C27 C28 -1.9(9) . . . . ?
C11 C10 C13 C14 -153.3(6) . . . . ?
C11 C10 C13 C17 27.5(10) . . . . ?
C59 N7 C63 C62 -1.7(8) . . . . ?
C59 N7 C56 C55 -48.7(8) . . . . ?
C59 N7 C56 C57 129.6(6) . . . . ?
C20 C19 C24 C23 -1.6(10) . . . . ?
C20 C19 C18 O4 -167.9(6) . . . . ?
C20 C19 C18 O3 12.5(9) . . . . ?
C20 C21 C22 N3 176.9(6) . . . . ?
C20 C21 C22 C23 -1.9(10) . . . . ?
C6 C5 C4 C3 -1.5(10) . . . . ?
C37 C36 C35 O6 13.9(8) . . . . ?
C37 C36 C35 O5 -165.7(6) . . . . ?
C37 C36 C41 C40 1.9(9) . . . . ?
C1 C2 C3 C4 -178.1(6) . . . . ?
C1 C2 C7 C6 179.1(6) . . . . ?
C24 C19 C20 C21 0.3(10) . . . . ?
C24 C19 C18 O4 12.1(10) . . . . ?
C24 C19 C18 O3 -167.6(6) . . . . ?
C18 C19 C20 C21 -179.7(6) . . . . ?
C18 C19 C24 C23 178.4(6) . . . . ?
C27 C30 C34 C33 -178.6(6) . . . . ?
C27 C30 C31 C32 179.4(6) . . . . ?
C27 C26 C25 N3 1.0(10) . . . . ?
C14 C13 C17 C16 -0.7(10) . . . . ?
C38 C39 C40 C41 -1.1(9) . . . . ?
C33 N4 C32 C31 2.2(10) . . . . ?
C35 C36 C37 C38 180.0(6) . . . . ?
C35 C36 C41 C40 -179.0(5) . . . . ?
C3 C2 C1 O2 160.8(6) . . . . ?
C3 C2 C1 O1 -20.4(9) . . . . ?
C3 C2 C7 C6 -0.7(9) . . . . ?
C29 N3 C22 C21 142.2(6) . . . . ?
C29 N3 C22 C23 -39.0(8) . . . . ?
C29 N3 C25 C26 0.9(9) . . . . ?
C4 C5 C6 C7 2.4(9) . . . . ?
C13 C10 C11 C12 179.0(6) . . . . ?
C13 C14 C15 N2 -0.5(10) . . . . ?
C13 C17 C16 N2 1.2(12) . . . . ?
C44 C45 C46 N5 -0.8(9) . . . . ?
C44 C47 C51 C50 -179.0(5) . . . . ?
C44 C47 C48 C49 -179.3(6) . . . . ?
C41 C36 C37 C38 -0.9(9) . . . . ?
C41 C36 C35 O6 -165.1(6) . . . . ?
C41 C36 C35 O5 15.2(9) . . . . ?
C7 C2 C1 O2 -18.9(9) . . . . ?
C7 C2 C1 O1 159.8(6) . . . . ?
C7 C2 C3 C4 1.6(10) . . . . ?
C31 C30 C34 C33 2.5(10) . . . . ?
C31 C30 C27 C26 21.9(9) . . . . ?
C31 C30 C27 C28 -158.7(6) . . . . ?
C47 C51 C50 N6 -2.3(10) . . . . ?
C47 C48 C49 N6 -1.3(10) . . . . ?
C51 C47 C48 C49 0.9(9) . . . . ?
C48 C47 C51 C50 0.7(9) . . . . ?
C50 N6 C49 C48 -0.2(10) . . . . ?
C32 N4 C33 C34 -1.4(11) . . . . ?
C15 N2 C16 C17 -1.3(11) . . . . ?
C15 C14 C13 C10 -178.9(6) . . . . ?
C15 C14 C13 C17 0.4(9) . . . . ?
C49 N6 C50 C51 2.0(9) . . . . ?
C16 N2 C15 C14 0.9(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT971_1                   
;
PROBLEM: Check Calcd Resid. Dens. 1.34A From O32 2.62 eA-3
RESPONSE: This result can be attrabuted to slight disorder of free nitrate anion
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