# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2351869'
loop_
_audit_author_name
_audit_author_address
'Jian-Zhong Wu'
;South China Normal University
China
;
_audit_update_record             
;
2024-04-29 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H15 N5 O2'
_chemical_formula_weight         417.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   25.9446(9)
_cell_length_b                   16.1841(6)
_cell_length_c                   9.4239(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.628(2)
_cell_angle_gamma                90
_cell_volume                     3901.3(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    8869
_cell_measurement_theta_min      2.811
_cell_measurement_theta_max      57.007

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_F_000             1728
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.094
_shelx_estimated_absorpt_T_min   0.986
_shelx_estimated_absorpt_T_max   0.989
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.6522
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0828 before and 0.0405 after correction.
The Ratio of minimum to maximum transmission is 0.8682.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22238
_diffrn_reflns_av_unetI/netI     0.0448
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.489
_diffrn_reflns_theta_max         25.496
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             7192
_reflns_number_gt                5058
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0613P)²+0.6105P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7192
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1291
_refine_ls_wR_factor_gt          0.1141
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.02166(8) 0.76987(14) 1.0381(2) 0.0374(5) Uani 1 1 d . . . . .
H1 H -0.048497 0.766632 1.095228 0.045 Uiso 1 1 calc R U . . .
C2 C -0.00398(8) 0.84792(14) 1.0064(2) 0.0343(5) Uani 1 1 d . . . . .
H2 H -0.018960 0.896375 1.039327 0.041 Uiso 1 1 calc R U . . .
C3 C 0.03574(8) 0.85325(13) 0.9264(2) 0.0324(5) Uani 1 1 d . . . . .
H3 H 0.048731 0.905744 0.904220 0.039 Uiso 1 1 calc R U . . .
C4 C 0.05696(7) 0.78079(13) 0.87761(19) 0.0286(4) Uani 1 1 d . . . . .
C5 C 0.03513(8) 0.70427(13) 0.91212(19) 0.0303(4) Uani 1 1 d . . . . .
C6 C 0.05293(7) 0.62579(13) 0.85975(19) 0.0300(4) Uani 1 1 d . . . . .
C7 C 0.04518(9) 0.48435(14) 0.8477(2) 0.0381(5) Uani 1 1 d . . . . .
H7 H 0.029620 0.434976 0.875073 0.046 Uiso 1 1 calc R U . . .
C8 C 0.08308(8) 0.47784(14) 0.7586(2) 0.0371(5) Uani 1 1 d . . . . .
H8 H 0.092236 0.425463 0.724661 0.045 Uiso 1 1 calc R U . . .
C9 C 0.10674(8) 0.54846(13) 0.7210(2) 0.0334(5) Uani 1 1 d . . . . .
H9 H 0.132608 0.545740 0.660761 0.040 Uiso 1 1 calc R U . . .
C10 C 0.09222(7) 0.62471(13) 0.77287(19) 0.0292(4) Uani 1 1 d . . . . .
C11 C 0.11479(7) 0.70223(12) 0.74239(18) 0.0269(4) Uani 1 1 d . . . . .
C12 C 0.09822(7) 0.77592(12) 0.79251(19) 0.0275(4) Uani 1 1 d . . . . .
C13 C 0.16110(7) 0.79511(13) 0.66222(19) 0.0285(4) Uani 1 1 d . . . . .
C14 C 0.19683(7) 0.83377(13) 0.57578(19) 0.0284(4) Uani 1 1 d . . . . .
C15 C 0.23298(8) 0.78139(13) 0.5247(2) 0.0311(4) Uani 1 1 d . . . . .
H15 H 0.236474 0.725752 0.556975 0.037 Uiso 1 1 calc R U . . .
C16 C 0.26344(8) 0.80997(14) 0.4280(2) 0.0336(5) Uani 1 1 d . . . . .
H16 H 0.287153 0.774153 0.391632 0.040 Uiso 1 1 calc R U . . .
C17 C 0.25875(7) 0.89162(14) 0.38531(19) 0.0320(5) Uani 1 1 d . . . . .
C18 C 0.22516(8) 0.94555(14) 0.4369(2) 0.0345(5) Uani 1 1 d . . . . .
H18 H 0.223424 1.001866 0.408023 0.041 Uiso 1 1 calc R U . . .
C19 C 0.19391(8) 0.91613(13) 0.5318(2) 0.0342(5) Uani 1 1 d . . . . .
H19 H 0.170258 0.952505 0.567106 0.041 Uiso 1 1 calc R U . . .
C20 C 0.13305(8) 0.92205(13) 0.7845(2) 0.0305(4) Uani 1 1 d . . . . .
C21 C 0.09588(8) 0.97905(13) 0.7224(2) 0.0350(5) Uani 1 1 d . . . . .
H21 H 0.066736 0.961788 0.653979 0.042 Uiso 1 1 calc R U . . .
C22 C 0.10201(9) 1.06163(14) 0.7620(2) 0.0442(6) Uani 1 1 d . . . . .
H22 H 0.077014 1.101351 0.720412 0.053 Uiso 1 1 calc R U . . .
C23 C 0.14453(10) 1.08595(16) 0.8621(3) 0.0506(6) Uani 1 1 d . . . . .
H23 H 0.148405 1.142393 0.889509 0.061 Uiso 1 1 calc R U . . .
C24 C 0.18137(10) 1.02904(16) 0.9226(3) 0.0507(6) Uani 1 1 d . . . . .
H24 H 0.210662 1.046498 0.990319 0.061 Uiso 1 1 calc R U . . .
C25 C 0.17561(9) 0.94626(15) 0.8844(2) 0.0397(5) Uani 1 1 d . . . . .
H25 H 0.200635 0.906705 0.926543 0.048 Uiso 1 1 calc R U . . .
N1 N -0.00326(7) 0.69981(12) 0.99324(18) 0.0366(4) Uani 1 1 d . . . . .
N2 N 0.02983(7) 0.55552(11) 0.89608(18) 0.0361(4) Uani 1 1 d . . . . .
N3 N 0.12854(6) 0.83651(10) 0.74162(16) 0.0282(4) Uani 1 1 d . . . . .
N4 N 0.15333(6) 0.71454(10) 0.66087(16) 0.0290(4) Uani 1 1 d . . . . .
N5 N 0.28886(7) 0.92128(13) 0.27741(18) 0.0399(4) Uani 1 1 d . . . . .
O1 O 0.30947(7) 0.87052(11) 0.20874(16) 0.0502(4) Uani 1 1 d . . . . .
O2 O 0.29176(7) 0.99667(12) 0.26056(19) 0.0568(5) Uani 1 1 d . . . . .
C26 C 0.59952(9) 0.25901(15) 0.4563(2) 0.0413(5) Uani 1 1 d . . . . .
H26 H 0.631632 0.272386 0.425992 0.050 Uiso 1 1 calc R U . . .
C27 C 0.56037(9) 0.31945(15) 0.4408(2) 0.0407(5) Uani 1 1 d . . . . .
H27 H 0.566528 0.372821 0.405122 0.049 Uiso 1 1 calc R U . . .
C28 C 0.51299(8) 0.30008(14) 0.4780(2) 0.0368(5) Uani 1 1 d . . . . .
H28 H 0.485300 0.339194 0.465880 0.044 Uiso 1 1 calc R U . . .
C29 C 0.50612(8) 0.22114(13) 0.53470(19) 0.0323(5) Uani 1 1 d . . . . .
C30 C 0.54823(8) 0.16521(13) 0.55149(19) 0.0326(5) Uani 1 1 d . . . . .
C31 C 0.54325(8) 0.08383(13) 0.61501(19) 0.0322(5) Uani 1 1 d . . . . .
C32 C 0.58262(8) -0.04006(15) 0.6862(2) 0.0389(5) Uani 1 1 d . . . . .
H32 H 0.612145 -0.075427 0.692759 0.047 Uiso 1 1 calc R U . . .
C33 C 0.53874(8) -0.06921(15) 0.7395(2) 0.0380(5) Uani 1 1 d . . . . .
H33 H 0.538965 -0.122108 0.783321 0.046 Uiso 1 1 calc R U . . .
C34 C 0.49530(8) -0.01924(14) 0.7268(2) 0.0351(5) Uani 1 1 d . . . . .
H34 H 0.464936 -0.037403 0.761750 0.042 Uiso 1 1 calc R U . . .
C35 C 0.49606(8) 0.05873(13) 0.66176(19) 0.0319(5) Uani 1 1 d . . . . .
C36 C 0.45382(8) 0.11699(13) 0.63698(19) 0.0309(4) Uani 1 1 d . . . . .
C37 C 0.45832(8) 0.19394(13) 0.5775(2) 0.0324(5) Uani 1 1 d . . . . .
C38 C 0.37950(8) 0.18712(14) 0.6169(2) 0.0359(5) Uani 1 1 d . . . . .
C39 C 0.32528(8) 0.20888(14) 0.6281(2) 0.0382(5) Uani 1 1 d . . . . .
C40 C 0.31577(11) 0.28725(17) 0.6701(4) 0.0686(8) Uani 1 1 d . . . . .
H40 H 0.343665 0.325957 0.686193 0.082 Uiso 1 1 calc R U . . .
C41 C 0.26667(12) 0.3114(2) 0.6897(4) 0.0799(10) Uani 1 1 d . . . . .
H41 H 0.260680 0.365701 0.721706 0.096 Uiso 1 1 calc R U . . .
C42 C 0.22662(10) 0.25573(18) 0.6623(3) 0.0590(7) Uani 1 1 d . . . . .
C43 C 0.23384(10) 0.1786(2) 0.6123(4) 0.0742(9) Uani 1 1 d . . . . .
H43 H 0.205151 0.141839 0.588984 0.089 Uiso 1 1 calc R U . . .
C44 C 0.28369(10) 0.15455(18) 0.5957(4) 0.0658(8) Uani 1 1 d . . . . .
H44 H 0.289405 0.100565 0.561909 0.079 Uiso 1 1 calc R U . . .
C45 C 0.37835(8) 0.05019(13) 0.7385(2) 0.0308(4) Uani 1 1 d . . . . .
C46 C 0.36286(8) -0.02390(14) 0.6728(2) 0.0352(5) Uani 1 1 d . . . . .
H46 H 0.369205 -0.035236 0.578329 0.042 Uiso 1 1 calc R U . . .
C47 C 0.33782(8) -0.08188(14) 0.7464(2) 0.0385(5) Uani 1 1 d . . . . .
H47 H 0.327566 -0.133669 0.703252 0.046 Uiso 1 1 calc R U . . .
C48 C 0.32794(8) -0.06376(14) 0.8827(2) 0.0383(5) Uani 1 1 d . . . . .
H48 H 0.310002 -0.102671 0.932130 0.046 Uiso 1 1 calc R U . . .
C49 C 0.34394(9) 0.01030(15) 0.9472(2) 0.0412(5) Uani 1 1 d . . . . .
H49 H 0.337416 0.021751 1.041470 0.049 Uiso 1 1 calc R U . . .
C50 C 0.36948(8) 0.06834(14) 0.8759(2) 0.0374(5) Uani 1 1 d . . . . .
H50 H 0.380636 0.119425 0.920414 0.045 Uiso 1 1 calc R U . . .
N6 N 0.58551(7) 0.03351(12) 0.62745(17) 0.0356(4) Uani 1 1 d . . . . .
N7 N 0.59474(7) 0.18443(12) 0.51050(18) 0.0389(4) Uani 1 1 d . . . . .
N8 N 0.40246(6) 0.11276(11) 0.66174(17) 0.0318(4) Uani 1 1 d . . . . .
N9 N 0.41205(7) 0.23780(11) 0.56527(18) 0.0371(4) Uani 1 1 d . . . . .
N10 N 0.17458(12) 0.2809(2) 0.6880(4) 0.0908(10) Uani 1 1 d . . . . .
O3 O 0.17207(13) 0.3437(3) 0.7594(5) 0.1726(19) Uani 1 1 d . . . . .
O4 O 0.13739(10) 0.24094(19) 0.6336(4) 0.1294(14) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.327(3) . ?
C1 C2 1.393(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.378(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.405(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.422(3) . ?
C4 C12 1.443(3) . ?
C5 N1 1.355(2) . ?
C5 C6 1.465(3) . ?
C6 N2 1.356(3) . ?
C6 C10 1.410(3) . ?
C7 N2 1.324(3) . ?
C7 C8 1.400(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.371(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.402(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.434(3) . ?
C11 N4 1.373(2) . ?
C11 C12 1.378(3) . ?
C12 N3 1.392(2) . ?
C13 N4 1.319(3) . ?
C13 N3 1.391(2) . ?
C13 C14 1.472(3) . ?
C14 C19 1.394(3) . ?
C14 C15 1.408(3) . ?
C15 C16 1.382(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.381(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(3) . ?
C17 N5 1.463(3) . ?
C18 C19 1.388(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.383(3) . ?
C20 C21 1.391(3) . ?
C20 N3 1.441(3) . ?
C21 C22 1.390(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
N5 O1 1.223(2) . ?
N5 O2 1.234(3) . ?
C26 N7 1.324(3) . ?
C26 C27 1.400(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.370(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.407(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.407(3) . ?
C29 C37 1.436(3) . ?
C30 N7 1.363(3) . ?
C30 C31 1.461(3) . ?
C31 N6 1.355(3) . ?
C31 C35 1.428(3) . ?
C32 N6 1.321(3) . ?
C32 C33 1.401(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.376(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.404(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.435(3) . ?
C36 C37 1.379(3) . ?
C36 N8 1.393(2) . ?
C37 N9 1.383(3) . ?
C38 N9 1.326(3) . ?
C38 N8 1.378(3) . ?
C38 C39 1.471(3) . ?
C39 C40 1.363(4) . ?
C39 C44 1.386(3) . ?
C40 C41 1.374(4) . ?
C40 H40 0.9500 . ?
C41 C42 1.367(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.358(4) . ?
C42 N10 1.468(4) . ?
C43 C44 1.384(4) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.378(3) . ?
C45 C50 1.384(3) . ?
C45 N8 1.446(3) . ?
C46 C47 1.391(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.383(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.376(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.386(3) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
N10 O4 1.202(4) . ?
N10 O3 1.227(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 123.89(19) . . ?
N1 C1 H1 118.1 . . ?
C2 C1 H1 118.1 . . ?
C3 C2 C1 118.5(2) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 119.8(2) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C3 C4 C5 117.33(18) . . ?
C3 C4 C12 126.51(19) . . ?
C5 C4 C12 116.14(18) . . ?
N1 C5 C4 122.27(19) . . ?
N1 C5 C6 116.54(18) . . ?
C4 C5 C6 121.19(17) . . ?
N2 C6 C10 121.95(19) . . ?
N2 C6 C5 117.68(17) . . ?
C10 C6 C5 120.37(18) . . ?
N2 C7 C8 123.6(2) . . ?
N2 C7 H7 118.2 . . ?
C8 C7 H7 118.2 . . ?
C9 C8 C7 118.8(2) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
C8 C9 C10 119.07(19) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C9 C10 C6 118.41(18) . . ?
C9 C10 C11 123.91(18) . . ?
C6 C10 C11 117.68(18) . . ?
N4 C11 C12 111.37(17) . . ?
N4 C11 C10 126.79(18) . . ?
C12 C11 C10 121.83(17) . . ?
C11 C12 N3 105.36(16) . . ?
C11 C12 C4 122.74(18) . . ?
N3 C12 C4 131.89(18) . . ?
N4 C13 N3 112.07(17) . . ?
N4 C13 C14 121.61(17) . . ?
N3 C13 C14 126.04(18) . . ?
C19 C14 C15 118.70(18) . . ?
C19 C14 C13 124.26(18) . . ?
C15 C14 C13 116.79(18) . . ?
C16 C15 C14 120.7(2) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C17 C16 C15 118.70(19) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C18 C17 C16 122.25(18) . . ?
C18 C17 N5 118.68(19) . . ?
C16 C17 N5 119.03(19) . . ?
C17 C18 C19 118.8(2) . . ?
C17 C18 H18 120.6 . . ?
C19 C18 H18 120.6 . . ?
C18 C19 C14 120.7(2) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
C25 C20 C21 121.1(2) . . ?
C25 C20 N3 118.76(18) . . ?
C21 C20 N3 120.08(17) . . ?
C22 C21 C20 119.0(2) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
C23 C22 C21 120.0(2) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C24 C23 C22 120.7(2) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C24 C25 120.0(2) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C20 C25 C24 119.3(2) . . ?
C20 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C1 N1 C5 118.16(19) . . ?
C7 N2 C6 118.14(18) . . ?
C13 N3 C12 105.98(16) . . ?
C13 N3 C20 125.82(16) . . ?
C12 N3 C20 127.18(16) . . ?
C13 N4 C11 105.21(16) . . ?
O1 N5 O2 123.68(18) . . ?
O1 N5 C17 118.62(19) . . ?
O2 N5 C17 117.70(19) . . ?
N7 C26 C27 124.3(2) . . ?
N7 C26 H26 117.8 . . ?
C27 C26 H26 117.8 . . ?
C28 C27 C26 118.7(2) . . ?
C28 C27 H27 120.7 . . ?
C26 C27 H27 120.7 . . ?
C27 C28 C29 118.8(2) . . ?
C27 C28 H28 120.6 . . ?
C29 C28 H28 120.6 . . ?
C30 C29 C28 118.77(19) . . ?
C30 C29 C37 117.51(19) . . ?
C28 C29 C37 123.7(2) . . ?
N7 C30 C29 121.92(19) . . ?
N7 C30 C31 117.70(19) . . ?
C29 C30 C31 120.38(18) . . ?
N6 C31 C35 121.70(19) . . ?
N6 C31 C30 116.84(18) . . ?
C35 C31 C30 121.45(19) . . ?
N6 C32 C33 124.1(2) . . ?
N6 C32 H32 118.0 . . ?
C33 C32 H32 118.0 . . ?
C34 C33 C32 118.3(2) . . ?
C34 C33 H33 120.9 . . ?
C32 C33 H33 120.9 . . ?
C33 C34 C35 119.68(19) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 H34 120.2 . . ?
C34 C35 C31 117.75(19) . . ?
C34 C35 C36 126.54(18) . . ?
C31 C35 C36 115.71(19) . . ?
C37 C36 N8 105.13(17) . . ?
C37 C36 C35 123.05(18) . . ?
N8 C36 C35 131.81(18) . . ?
C36 C37 N9 111.48(18) . . ?
C36 C37 C29 121.80(19) . . ?
N9 C37 C29 126.71(19) . . ?
N9 C38 N8 112.56(19) . . ?
N9 C38 C39 123.6(2) . . ?
N8 C38 C39 123.81(19) . . ?
C40 C39 C44 118.8(2) . . ?
C40 C39 C38 117.7(2) . . ?
C44 C39 C38 123.4(2) . . ?
C39 C40 C41 121.4(3) . . ?
C39 C40 H40 119.3 . . ?
C41 C40 H40 119.3 . . ?
C42 C41 C40 118.6(3) . . ?
C42 C41 H41 120.7 . . ?
C40 C41 H41 120.7 . . ?
C43 C42 C41 121.8(3) . . ?
C43 C42 N10 119.7(3) . . ?
C41 C42 N10 118.5(3) . . ?
C42 C43 C44 118.9(3) . . ?
C42 C43 H43 120.5 . . ?
C44 C43 H43 120.5 . . ?
C43 C44 C39 120.3(3) . . ?
C43 C44 H44 119.9 . . ?
C39 C44 H44 119.9 . . ?
C46 C45 C50 121.55(19) . . ?
C46 C45 N8 120.16(17) . . ?
C50 C45 N8 118.24(18) . . ?
C45 C46 C47 119.23(18) . . ?
C45 C46 H46 120.4 . . ?
C47 C46 H46 120.4 . . ?
C48 C47 C46 119.7(2) . . ?
C48 C47 H47 120.2 . . ?
C46 C47 H47 120.2 . . ?
C49 C48 C47 120.4(2) . . ?
C49 C48 H48 119.8 . . ?
C47 C48 H48 119.8 . . ?
C48 C49 C50 120.64(19) . . ?
C48 C49 H49 119.7 . . ?
C50 C49 H49 119.7 . . ?
C45 C50 C49 118.5(2) . . ?
C45 C50 H50 120.7 . . ?
C49 C50 H50 120.7 . . ?
C32 N6 C31 118.45(18) . . ?
C26 N7 C30 117.49(19) . . ?
C38 N8 C36 106.40(16) . . ?
C38 N8 C45 124.36(17) . . ?
C36 N8 C45 128.63(17) . . ?
C38 N9 C37 104.42(18) . . ?
O4 N10 O3 124.5(3) . . ?
O4 N10 C42 118.4(4) . . ?
O3 N10 C42 117.0(4) . . ?

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
N1 C1 C2 C3 -1.4(3) . . . . ?
C1 C2 C3 C4 0.7(3) . . . . ?
C2 C3 C4 C5 1.2(3) . . . . ?
C2 C3 C4 C12 179.62(18) . . . . ?
C3 C4 C5 N1 -2.4(3) . . . . ?
C12 C4 C5 N1 178.92(17) . . . . ?
C3 C4 C5 C6 176.90(17) . . . . ?
C12 C4 C5 C6 -1.7(3) . . . . ?
N1 C5 C6 N2 0.0(3) . . . . ?
C4 C5 C6 N2 -179.35(17) . . . . ?
N1 C5 C6 C10 179.10(17) . . . . ?
C4 C5 C6 C10 -0.3(3) . . . . ?
N2 C7 C8 C9 1.5(3) . . . . ?
C7 C8 C9 C10 -0.1(3) . . . . ?
C8 C9 C10 C6 -1.2(3) . . . . ?
C8 C9 C10 C11 179.09(18) . . . . ?
N2 C6 C10 C9 1.2(3) . . . . ?
C5 C6 C10 C9 -177.80(17) . . . . ?
N2 C6 C10 C11 -179.04(17) . . . . ?
C5 C6 C10 C11 1.9(3) . . . . ?
C9 C10 C11 N4 -0.4(3) . . . . ?
C6 C10 C11 N4 179.87(17) . . . . ?
C9 C10 C11 C12 178.16(18) . . . . ?
C6 C10 C11 C12 -1.6(3) . . . . ?
N4 C11 C12 N3 -1.0(2) . . . . ?
C10 C11 C12 N3 -179.80(16) . . . . ?
N4 C11 C12 C4 178.21(16) . . . . ?
C10 C11 C12 C4 -0.6(3) . . . . ?
C3 C4 C12 C11 -176.30(18) . . . . ?
C5 C4 C12 C11 2.2(3) . . . . ?
C3 C4 C12 N3 2.7(3) . . . . ?
C5 C4 C12 N3 -178.80(18) . . . . ?
N4 C13 C14 C19 156.68(19) . . . . ?
N3 C13 C14 C19 -16.9(3) . . . . ?
N4 C13 C14 C15 -17.4(3) . . . . ?
N3 C13 C14 C15 169.02(17) . . . . ?
C19 C14 C15 C16 -2.7(3) . . . . ?
C13 C14 C15 C16 171.75(17) . . . . ?
C14 C15 C16 C17 1.7(3) . . . . ?
C15 C16 C17 C18 0.7(3) . . . . ?
C15 C16 C17 N5 -176.88(17) . . . . ?
C16 C17 C18 C19 -1.9(3) . . . . ?
N5 C17 C18 C19 175.63(17) . . . . ?
C17 C18 C19 C14 0.8(3) . . . . ?
C15 C14 C19 C18 1.4(3) . . . . ?
C13 C14 C19 C18 -172.59(18) . . . . ?
C25 C20 C21 C22 0.1(3) . . . . ?
N3 C20 C21 C22 -177.91(17) . . . . ?
C20 C21 C22 C23 -0.2(3) . . . . ?
C21 C22 C23 C24 0.5(4) . . . . ?
C22 C23 C24 C25 -0.8(4) . . . . ?
C21 C20 C25 C24 -0.4(3) . . . . ?
N3 C20 C25 C24 177.67(19) . . . . ?
C23 C24 C25 C20 0.7(4) . . . . ?
C2 C1 N1 C5 0.2(3) . . . . ?
C4 C5 N1 C1 1.8(3) . . . . ?
C6 C5 N1 C1 -177.59(17) . . . . ?
C8 C7 N2 C6 -1.5(3) . . . . ?
C10 C6 N2 C7 0.1(3) . . . . ?
C5 C6 N2 C7 179.16(18) . . . . ?
N4 C13 N3 C12 -0.2(2) . . . . ?
C14 C13 N3 C12 173.84(17) . . . . ?
N4 C13 N3 C20 168.88(16) . . . . ?
C14 C13 N3 C20 -17.0(3) . . . . ?
C11 C12 N3 C13 0.74(19) . . . . ?
C4 C12 N3 C13 -178.40(18) . . . . ?
C11 C12 N3 C20 -168.18(17) . . . . ?
C4 C12 N3 C20 12.7(3) . . . . ?
C25 C20 N3 C13 -68.0(2) . . . . ?
C21 C20 N3 C13 110.1(2) . . . . ?
C25 C20 N3 C12 98.8(2) . . . . ?
C21 C20 N3 C12 -83.1(2) . . . . ?
N3 C13 N4 C11 -0.4(2) . . . . ?
C14 C13 N4 C11 -174.76(16) . . . . ?
C12 C11 N4 C13 0.9(2) . . . . ?
C10 C11 N4 C13 179.58(17) . . . . ?
C18 C17 N5 O1 -164.06(19) . . . . ?
C16 C17 N5 O1 13.6(3) . . . . ?
C18 C17 N5 O2 15.6(3) . . . . ?
C16 C17 N5 O2 -166.77(19) . . . . ?
N7 C26 C27 C28 -2.8(3) . . . . ?
C26 C27 C28 C29 2.0(3) . . . . ?
C27 C28 C29 C30 0.3(3) . . . . ?
C27 C28 C29 C37 180.00(19) . . . . ?
C28 C29 C30 N7 -2.0(3) . . . . ?
C37 C29 C30 N7 178.22(17) . . . . ?
C28 C29 C30 C31 177.66(17) . . . . ?
C37 C29 C30 C31 -2.1(3) . . . . ?
N7 C30 C31 N6 -0.3(3) . . . . ?
C29 C30 C31 N6 179.97(17) . . . . ?
N7 C30 C31 C35 179.62(17) . . . . ?
C29 C30 C31 C35 -0.1(3) . . . . ?
N6 C32 C33 C34 1.8(3) . . . . ?
C32 C33 C34 C35 -0.1(3) . . . . ?
C33 C34 C35 C31 -1.8(3) . . . . ?
C33 C34 C35 C36 178.26(19) . . . . ?
N6 C31 C35 C34 2.4(3) . . . . ?
C30 C31 C35 C34 -177.55(17) . . . . ?
N6 C31 C35 C36 -177.68(17) . . . . ?
C30 C31 C35 C36 2.4(3) . . . . ?
C34 C35 C36 C37 177.32(19) . . . . ?
C31 C35 C36 C37 -2.6(3) . . . . ?
C34 C35 C36 N8 -3.2(3) . . . . ?
C31 C35 C36 N8 176.86(18) . . . . ?
N8 C36 C37 N9 0.4(2) . . . . ?
C35 C36 C37 N9 -179.99(17) . . . . ?
N8 C36 C37 C29 -179.11(17) . . . . ?
C35 C36 C37 C29 0.5(3) . . . . ?
C30 C29 C37 C36 1.9(3) . . . . ?
C28 C29 C37 C36 -177.80(19) . . . . ?
C30 C29 C37 N9 -177.53(19) . . . . ?
C28 C29 C37 N9 2.7(3) . . . . ?
N9 C38 C39 C40 -39.5(3) . . . . ?
N8 C38 C39 C40 138.9(3) . . . . ?
N9 C38 C39 C44 139.2(3) . . . . ?
N8 C38 C39 C44 -42.4(4) . . . . ?
C44 C39 C40 C41 4.3(5) . . . . ?
C38 C39 C40 C41 -177.0(3) . . . . ?
C39 C40 C41 C42 -1.8(5) . . . . ?
C40 C41 C42 C43 -2.1(5) . . . . ?
C40 C41 C42 N10 178.0(3) . . . . ?
C41 C42 C43 C44 3.4(5) . . . . ?
N10 C42 C43 C44 -176.7(3) . . . . ?
C42 C43 C44 C39 -0.8(5) . . . . ?
C40 C39 C44 C43 -2.9(5) . . . . ?
C38 C39 C44 C43 178.4(3) . . . . ?
C50 C45 C46 C47 -0.2(3) . . . . ?
N8 C45 C46 C47 -177.38(19) . . . . ?
C45 C46 C47 C48 1.3(3) . . . . ?
C46 C47 C48 C49 -1.7(3) . . . . ?
C47 C48 C49 C50 1.0(3) . . . . ?
C46 C45 C50 C49 -0.6(3) . . . . ?
N8 C45 C50 C49 176.69(19) . . . . ?
C48 C49 C50 C45 0.2(3) . . . . ?
C33 C32 N6 C31 -1.3(3) . . . . ?
C35 C31 N6 C32 -0.9(3) . . . . ?
C30 C31 N6 C32 179.08(17) . . . . ?
C27 C26 N7 C30 1.1(3) . . . . ?
C29 C30 N7 C26 1.4(3) . . . . ?
C31 C30 N7 C26 -178.34(18) . . . . ?
N9 C38 N8 C36 0.3(2) . . . . ?
C39 C38 N8 C36 -178.30(19) . . . . ?
N9 C38 N8 C45 171.98(17) . . . . ?
C39 C38 N8 C45 -6.6(3) . . . . ?
C37 C36 N8 C38 -0.4(2) . . . . ?
C35 C36 N8 C38 -179.9(2) . . . . ?
C37 C36 N8 C45 -171.66(18) . . . . ?
C35 C36 N8 C45 8.8(3) . . . . ?
C46 C45 N8 C38 111.4(2) . . . . ?
C50 C45 N8 C38 -66.0(3) . . . . ?
C46 C45 N8 C36 -78.8(3) . . . . ?
C50 C45 N8 C36 103.8(2) . . . . ?
N8 C38 N9 C37 0.0(2) . . . . ?
C39 C38 N9 C37 178.57(19) . . . . ?
C36 C37 N9 C38 -0.3(2) . . . . ?
C29 C37 N9 C38 179.24(19) . . . . ?
C43 C42 N10 O4 -17.1(4) . . . . ?
C41 C42 N10 O4 162.8(3) . . . . ?
C43 C42 N10 O3 165.7(4) . . . . ?
C41 C42 N10 O3 -14.4(5) . . . . ?

_refine_diff_density_max         0.349
_refine_diff_density_min         -0.290
_refine_diff_density_rms         0.044

####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2351870'
loop_
_audit_author_name
_audit_author_address
'Jian-Zhong Wu'
;South China Normal University
China
;
_audit_update_record             
;
2024-04-29 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C98 H76 Eu2 N10 O12'
_chemical_formula_weight         1889.60

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   9.6535(4)
_cell_length_b                   16.8465(7)
_cell_length_c                   25.9752(10)
_cell_angle_alpha                90
_cell_angle_beta                 93.411(2)
_cell_angle_gamma                90
_cell_volume                     4216.8(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9975
_cell_measurement_theta_min      2.72
_cell_measurement_theta_max      56.95

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_F_000             1912
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    1.544
_shelx_estimated_absorpt_T_min   0.813
_shelx_estimated_absorpt_T_max   0.848
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.806
_exptl_absorpt_correction_T_max  0.844
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1365 before and 0.0534 after correction.
The Ratio of minimum to maximum transmission is 0.5602.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34337
_diffrn_reflns_av_unetI/netI     0.0456
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.441
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             8610
_reflns_number_gt                7243
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0299P)²+9.7921P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterativ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8491
_refine_ls_number_parameters     551
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0407
_refine_ls_wR_factor_ref         0.1016
_refine_ls_wR_factor_gt          0.0983
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0772(5) 0.2523(3) 0.3994(2) 0.0437(12) Uani 1 1 d . . . . .
H1 H -0.006047 0.279205 0.392824 0.052 Uiso 1 1 calc R U . . .
C2 C 0.0961(5) 0.1796(3) 0.3750(2) 0.0441(12) Uani 1 1 d . . . . .
H2 H 0.026970 0.159095 0.352335 0.053 Uiso 1 1 calc R U . . .
C3 C 0.2173(4) 0.1387(3) 0.38488(19) 0.0396(11) Uani 1 1 d . . . . .
H3 H 0.231116 0.090471 0.368554 0.048 Uiso 1 1 calc R U . . .
C4 C 0.3195(4) 0.1691(3) 0.41917(16) 0.0302(9) Uani 1 1 d . . . . .
C5 C 0.2935(4) 0.2443(3) 0.44190(16) 0.0304(9) Uani 1 1 d . . . . .
C6 C 0.3972(4) 0.2830(3) 0.47657(16) 0.0302(9) Uani 1 1 d . . . . .
C7 C 0.4602(4) 0.3910(3) 0.5271(2) 0.0418(11) Uani 1 1 d . . . . .
H7 H 0.439381 0.440791 0.540083 0.050 Uiso 1 1 calc R U . . .
C8 C 0.5897(5) 0.3579(3) 0.5413(2) 0.0476(13) Uani 1 1 d . . . . .
H8 H 0.652224 0.384748 0.563756 0.057 Uiso 1 1 calc R U . . .
C9 C 0.6231(4) 0.2855(3) 0.52174(19) 0.0423(11) Uani 1 1 d . . . . .
H9 H 0.709105 0.262588 0.530152 0.051 Uiso 1 1 calc R U . . .
C10 C 0.5255(4) 0.2466(3) 0.48887(17) 0.0331(9) Uani 1 1 d . . . . .
C11 C 0.5498(4) 0.1706(3) 0.46576(17) 0.0320(9) Uani 1 1 d . . . . .
C12 C 0.4520(4) 0.1339(2) 0.43406(16) 0.0296(9) Uani 1 1 d . . . . .
C13 C 0.6436(4) 0.0618(3) 0.44399(17) 0.0320(9) Uani 1 1 d . . . . .
C14 C 0.7442(4) -0.0031(3) 0.44102(17) 0.0319(9) Uani 1 1 d . . . . .
C15 C 0.8841(4) 0.0176(3) 0.43957(18) 0.0351(10) Uani 1 1 d . . . . .
H15 H 0.908551 0.070504 0.435276 0.042 Uiso 1 1 calc R U . . .
C16 C 0.9865(4) -0.0397(3) 0.44446(18) 0.0371(10) Uani 1 1 d . . . . .
H16 H 1.078991 -0.025186 0.442662 0.045 Uiso 1 1 calc R U . . .
C17 C 0.9525(4) -0.1188(3) 0.45204(17) 0.0329(9) Uani 1 1 d . . . . .
C18 C 0.8135(4) -0.1397(3) 0.45062(18) 0.0359(10) Uani 1 1 d . . . . .
H18 H 0.789313 -0.192893 0.453245 0.043 Uiso 1 1 calc R U . . .
C19 C 0.7100(4) -0.0830(3) 0.44540(18) 0.0349(10) Uani 1 1 d . . . . .
H19 H 0.617374 -0.098311 0.444799 0.042 Uiso 1 1 calc R U . . .
C20 C 0.4560(4) 0.0005(3) 0.38641(17) 0.0310(9) Uani 1 1 d . . . . .
C21 C 0.3536(4) -0.0475(3) 0.40398(19) 0.0384(10) Uani 1 1 d . . . . .
H21 H 0.320470 -0.039296 0.436440 0.046 Uiso 1 1 calc R U . . .
C22 C 0.3005(5) -0.1084(3) 0.3726(2) 0.0498(13) Uani 1 1 d . . . . .
H22 H 0.228684 -0.140051 0.383329 0.060 Uiso 1 1 calc R U . . .
C23 C 0.3549(6) -0.1214(4) 0.3256(2) 0.0591(15) Uani 1 1 d . . . . .
H23 H 0.320115 -0.162175 0.304445 0.071 Uiso 1 1 calc R U . . .
C24 C 0.4600(7) -0.0746(4) 0.3099(2) 0.0617(16) Uani 1 1 d . . . . .
H24 H 0.497742 -0.084987 0.278484 0.074 Uiso 1 1 calc R U . . .
C25 C 0.5108(5) -0.0127(3) 0.33947(19) 0.0437(11) Uani 1 1 d . . . . .
H25 H 0.580703 0.019723 0.328094 0.052 Uiso 1 1 calc R U . . .
C26 C 0.2465(5) 0.4582(3) 0.37223(19) 0.0415(11) Uani 1 1 d . . . . .
C27 C 0.3134(6) 0.4721(5) 0.3217(2) 0.0692(19) Uani 1 1 d . . . . .
H27A H 0.323098 0.528843 0.316772 0.083 Uiso 1 1 calc R U . . .
H27B H 0.405989 0.449523 0.324368 0.083 Uiso 1 1 calc R U . . .
C28 C 0.2385(6) 0.4388(4) 0.2756(2) 0.0584(15) Uani 1 1 d . . . . .
C29 C 0.2344(9) 0.3557(5) 0.2708(3) 0.089(2) Uani 1 1 d . . . . .
H29 H 0.278844 0.325020 0.296622 0.106 Uiso 1 1 calc R U . . .
C30 C 0.1668(12) 0.3177(7) 0.2293(4) 0.123(4) Uani 1 1 d . . . . .
H30 H 0.166023 0.262737 0.226304 0.147 Uiso 1 1 calc R U . . .
C31 C 0.0990(14) 0.3671(12) 0.1917(4) 0.154(6) Uani 1 1 d . . . . .
H31 H 0.052624 0.343167 0.163413 0.184 Uiso 1 1 calc R U . . .
C32 C 0.0980(12) 0.4501(10) 0.1948(4) 0.131(5) Uani 1 1 d . . . . .
H32 H 0.049865 0.481718 0.170413 0.157 Uiso 1 1 calc R U . . .
C33 C 0.1737(8) 0.4813(6) 0.2367(3) 0.091(2) Uani 1 1 d . . . . .
H33 H 0.181081 0.536325 0.238568 0.110 Uiso 1 1 calc R U . . .
C34 C -0.0166(4) 0.6183(3) 0.43548(17) 0.0337(10) Uani 1 1 d . . . . .
C35 C 0.0089(6) 0.6417(3) 0.3810(2) 0.0515(13) Uani 1 1 d . . . . .
H35A H 0.085959 0.611300 0.368913 0.062 Uiso 1 1 calc R U . . .
H35B H 0.032848 0.697522 0.379762 0.062 Uiso 1 1 calc R U . . .
C36 C -0.1216(7) 0.6260(3) 0.3460(2) 0.0550(14) Uani 1 1 d . . . . .
C37 C -0.1198(8) 0.5729(4) 0.3062(2) 0.0692(17) Uani 1 1 d . . . . .
H37 H -0.038138 0.545626 0.300921 0.083 Uiso 1 1 calc R U . . .
C38 C -0.2354(9) 0.5584(5) 0.2735(3) 0.083(2) Uani 1 1 d . . . . .
H38 H -0.230730 0.522749 0.246363 0.100 Uiso 1 1 calc R U . . .
C39 C -0.3553(9) 0.5967(5) 0.2815(3) 0.090(2) Uani 1 1 d . . . . .
H39 H -0.432741 0.588491 0.259081 0.108 Uiso 1 1 calc R U . . .
C40 C -0.3634(8) 0.6472(6) 0.3221(3) 0.094(2) Uani 1 1 d . . . . .
H40 H -0.446790 0.672380 0.327931 0.112 Uiso 1 1 calc R U . . .
C41 C -0.2480(7) 0.6610(4) 0.3545(3) 0.0738(19) Uani 1 1 d . . . . .
H41 H -0.255055 0.694418 0.382766 0.089 Uiso 1 1 calc R U . . .
C42 C 0.2099(4) 0.5655(3) 0.56095(17) 0.0327(9) Uani 1 1 d . . . . .
C43 C 0.3207(5) 0.5772(3) 0.6045(2) 0.0450(12) Uani 1 1 d . . . . .
H43A H 0.325379 0.529008 0.624924 0.054 Uiso 1 1 calc R U . . .
H43B H 0.409360 0.582897 0.589126 0.054 Uiso 1 1 calc R U . . .
C44 C 0.3051(5) 0.6464(3) 0.64096(17) 0.0386(10) Uani 1 1 d . . . . .
C45 C 0.4057(7) 0.7048(4) 0.6446(2) 0.0613(16) Uani 1 1 d . . . . .
H45 H 0.480132 0.701975 0.623483 0.074 Uiso 1 1 calc R U . . .
C46 C 0.3985(9) 0.7665(4) 0.6783(3) 0.082(2) Uani 1 1 d . . . . .
H46 H 0.468702 0.804400 0.680867 0.098 Uiso 1 1 calc R U . . .
C47 C 0.2874(9) 0.7722(4) 0.7081(3) 0.083(2) Uani 1 1 d . . . . .
H47 H 0.280315 0.815509 0.729961 0.100 Uiso 1 1 calc R U . . .
C48 C 0.1846(7) 0.7145(5) 0.7063(2) 0.0672(18) Uani 1 1 d . . . . .
H48 H 0.110160 0.718390 0.727319 0.081 Uiso 1 1 calc R U . . .
C49 C 0.1943(5) 0.6508(3) 0.67276(19) 0.0485(12) Uani 1 1 d . . . . .
H49 H 0.126950 0.611294 0.671538 0.058 Uiso 1 1 calc R U . . .
Eu1 Eu 0.13161(2) 0.42669(2) 0.46706(2) 0.02872(8) Uani 1 1 d . . . . .
N1 N 0.1726(3) 0.2843(2) 0.43143(15) 0.0350(8) Uani 1 1 d . . . . .
N2 N 0.3654(4) 0.3553(2) 0.49622(15) 0.0362(8) Uani 1 1 d . . . . .
N3 N 0.5127(3) 0.0627(2) 0.41972(14) 0.0308(8) Uani 1 1 d . . . . .
N4 N 0.6690(3) 0.1259(2) 0.47209(15) 0.0339(8) Uani 1 1 d . . . . .
N5 N 1.0579(4) -0.1750(2) 0.46110(18) 0.0450(10) Uani 1 1 d . . . . .
H5A H 1.023956 -0.216273 0.475309 0.054 Uiso 1 1 d R U . . .
H5B H 1.090118 -0.188244 0.432122 0.054 Uiso 1 1 d R U . . .
O1 O 0.3157(3) 0.4723(2) 0.41346(13) 0.0471(8) Uani 1 1 d . . . . .
O2 O 0.1227(3) 0.4340(2) 0.37178(12) 0.0425(8) Uani 1 1 d . . . . .
O3 O -0.0837(3) 0.66420(18) 0.46250(12) 0.0385(7) Uani 1 1 d . . . . .
O4 O 0.0238(3) 0.55161(18) 0.45245(12) 0.0372(7) Uani 1 1 d . . . . .
O5 O 0.2373(3) 0.51220(19) 0.52905(12) 0.0387(7) Uani 1 1 d . . . . .
O6 O 0.1014(3) 0.60686(17) 0.55922(12) 0.0328(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.319(6) . ?
C1 C2 1.396(7) . ?
C1 H1 0.9300 . ?
C2 C3 1.368(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.387(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.426(6) . ?
C4 C12 1.441(5) . ?
C5 N1 1.362(5) . ?
C5 C6 1.460(6) . ?
C6 N2 1.361(5) . ?
C6 C10 1.402(5) . ?
C7 N2 1.325(6) . ?
C7 C8 1.399(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.368(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.396(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.439(6) . ?
C11 C12 1.363(6) . ?
C11 N4 1.378(5) . ?
C12 N3 1.396(5) . ?
C13 N4 1.318(6) . ?
C13 N3 1.378(5) . ?
C13 C14 1.467(6) . ?
C14 C19 1.392(6) . ?
C14 C15 1.398(6) . ?
C15 C16 1.382(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.388(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.386(6) . ?
C17 N5 1.400(5) . ?
C18 C19 1.382(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C25 1.375(6) . ?
C20 C21 1.376(6) . ?
C20 N3 1.445(5) . ?
C21 C22 1.389(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.376(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.366(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.369(8) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 O1 1.251(6) . ?
C26 O2 1.262(6) . ?
C26 C27 1.516(7) . ?
C26 Eu1 2.811(5) . ?
C27 C28 1.472(8) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C33 1.360(10) . ?
C28 C29 1.406(10) . ?
C29 C30 1.383(12) . ?
C29 H29 0.9300 . ?
C30 C31 1.413(18) . ?
C30 H30 0.9300 . ?
C31 C32 1.400(19) . ?
C31 H31 0.9300 . ?
C32 C33 1.380(13) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 O3 1.251(5) . ?
C34 O4 1.260(5) . ?
C34 C35 1.504(7) . ?
C34 Eu1 2.924(5) 3_566 ?
C35 C36 1.532(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.368(9) . ?
C36 C41 1.385(9) . ?
C37 C38 1.383(10) . ?
C37 H37 0.9300 . ?
C38 C39 1.351(11) . ?
C38 H38 0.9300 . ?
C39 C40 1.362(11) . ?
C39 H39 0.9300 . ?
C40 C41 1.375(10) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 O6 1.257(5) . ?
C42 O5 1.260(5) . ?
C42 C43 1.523(6) . ?
C43 C44 1.515(6) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.382(7) . ?
C44 C49 1.392(7) . ?
C45 C46 1.364(9) . ?
C45 H45 0.9300 . ?
C46 C47 1.363(11) . ?
C46 H46 0.9300 . ?
C47 C48 1.388(10) . ?
C47 H47 0.9300 . ?
C48 C49 1.388(8) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
Eu1 O5 2.348(3) . ?
Eu1 O4 2.368(3) . ?
Eu1 O6 2.379(3) 3_566 ?
Eu1 O1 2.445(3) . ?
Eu1 O3 2.451(3) 3_566 ?
Eu1 O2 2.474(3) . ?
Eu1 N1 2.610(4) . ?
Eu1 N2 2.629(3) . ?
Eu1 O4 2.670(3) 3_566 ?
Eu1 Eu1 4.0004(4) 3_566 ?
N5 H5A 0.8612 . ?
N5 H5B 0.8608 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.7(4) . . ?
N1 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C3 C2 C1 119.3(4) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 120.1(4) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C5 117.2(4) . . ?
C3 C4 C12 127.3(4) . . ?
C5 C4 C12 115.4(4) . . ?
N1 C5 C4 121.8(4) . . ?
N1 C5 C6 116.7(4) . . ?
C4 C5 C6 121.5(4) . . ?
N2 C6 C10 121.4(4) . . ?
N2 C6 C5 118.0(3) . . ?
C10 C6 C5 120.6(4) . . ?
N2 C7 C8 123.6(4) . . ?
N2 C7 H7 118.2 . . ?
C8 C7 H7 118.2 . . ?
C9 C8 C7 118.9(4) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C8 C9 C10 118.8(4) . . ?
C8 C9 H9 120.6 . . ?
C10 C9 H9 120.6 . . ?
C9 C10 C6 119.3(4) . . ?
C9 C10 C11 123.5(4) . . ?
C6 C10 C11 117.2(4) . . ?
C12 C11 N4 111.6(4) . . ?
C12 C11 C10 122.1(4) . . ?
N4 C11 C10 126.3(4) . . ?
C11 C12 N3 105.3(3) . . ?
C11 C12 C4 123.2(4) . . ?
N3 C12 C4 131.5(4) . . ?
N4 C13 N3 112.3(4) . . ?
N4 C13 C14 122.5(4) . . ?
N3 C13 C14 125.1(4) . . ?
C19 C14 C15 118.5(4) . . ?
C19 C14 C13 123.7(4) . . ?
C15 C14 C13 117.3(4) . . ?
C16 C15 C14 120.6(4) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 120.6(4) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 118.5(4) . . ?
C18 C17 N5 121.7(4) . . ?
C16 C17 N5 119.8(4) . . ?
C19 C18 C17 121.3(4) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C14 120.2(4) . . ?
C18 C19 H19 119.9 . . ?
C14 C19 H19 119.9 . . ?
C25 C20 C21 121.4(4) . . ?
C25 C20 N3 119.7(4) . . ?
C21 C20 N3 118.8(4) . . ?
C20 C21 C22 119.2(5) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 H21 120.4 . . ?
C23 C22 C21 119.4(5) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C24 C23 C22 120.2(5) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 121.3(5) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C24 C25 C20 118.5(5) . . ?
C24 C25 H25 120.8 . . ?
C20 C25 H25 120.8 . . ?
O1 C26 O2 121.8(4) . . ?
O1 C26 C27 118.6(4) . . ?
O2 C26 C27 119.6(4) . . ?
O1 C26 Eu1 60.3(2) . . ?
O2 C26 Eu1 61.6(2) . . ?
C27 C26 Eu1 177.3(4) . . ?
C28 C27 C26 115.6(5) . . ?
C28 C27 H27A 108.4 . . ?
C26 C27 H27A 108.4 . . ?
C28 C27 H27B 108.4 . . ?
C26 C27 H27B 108.4 . . ?
H27A C27 H27B 107.4 . . ?
C33 C28 C29 116.8(7) . . ?
C33 C28 C27 125.8(8) . . ?
C29 C28 C27 117.4(6) . . ?
C30 C29 C28 122.5(9) . . ?
C30 C29 H29 118.7 . . ?
C28 C29 H29 118.7 . . ?
C29 C30 C31 116.4(11) . . ?
C29 C30 H30 121.8 . . ?
C31 C30 H30 121.8 . . ?
C32 C31 C30 123.6(11) . . ?
C32 C31 H31 118.2 . . ?
C30 C31 H31 118.2 . . ?
C33 C32 C31 114.9(12) . . ?
C33 C32 H32 122.6 . . ?
C31 C32 H32 122.6 . . ?
C28 C33 C32 125.7(11) . . ?
C28 C33 H33 117.1 . . ?
C32 C33 H33 117.1 . . ?
O3 C34 O4 121.0(4) . . ?
O3 C34 C35 119.0(4) . . ?
O4 C34 C35 119.9(4) . . ?
O3 C34 Eu1 55.8(2) . 3_566 ?
O4 C34 Eu1 65.9(2) . 3_566 ?
C35 C34 Eu1 167.1(3) . 3_566 ?
C34 C35 C36 109.8(4) . . ?
C34 C35 H35A 109.7 . . ?
C36 C35 H35A 109.7 . . ?
C34 C35 H35B 109.7 . . ?
C36 C35 H35B 109.7 . . ?
H35A C35 H35B 108.2 . . ?
C37 C36 C41 116.8(6) . . ?
C37 C36 C35 120.9(6) . . ?
C41 C36 C35 122.2(5) . . ?
C36 C37 C38 122.2(7) . . ?
C36 C37 H37 118.9 . . ?
C38 C37 H37 118.9 . . ?
C39 C38 C37 119.3(7) . . ?
C39 C38 H38 120.4 . . ?
C37 C38 H38 120.4 . . ?
C38 C39 C40 120.4(7) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C39 C40 C41 119.9(8) . . ?
C39 C40 H40 120.1 . . ?
C41 C40 H40 120.1 . . ?
C40 C41 C36 121.2(7) . . ?
C40 C41 H41 119.4 . . ?
C36 C41 H41 119.4 . . ?
O6 C42 O5 125.4(4) . . ?
O6 C42 C43 120.1(4) . . ?
O5 C42 C43 114.5(4) . . ?
C44 C43 C42 118.2(4) . . ?
C44 C43 H43A 107.8 . . ?
C42 C43 H43A 107.8 . . ?
C44 C43 H43B 107.8 . . ?
C42 C43 H43B 107.8 . . ?
H43A C43 H43B 107.1 . . ?
C45 C44 C49 118.9(5) . . ?
C45 C44 C43 119.6(5) . . ?
C49 C44 C43 121.4(5) . . ?
C46 C45 C44 121.6(6) . . ?
C46 C45 H45 119.2 . . ?
C44 C45 H45 119.2 . . ?
C47 C46 C45 119.3(7) . . ?
C47 C46 H46 120.3 . . ?
C45 C46 H46 120.3 . . ?
C46 C47 C48 121.2(6) . . ?
C46 C47 H47 119.4 . . ?
C48 C47 H47 119.4 . . ?
C49 C48 C47 119.1(6) . . ?
C49 C48 H48 120.4 . . ?
C47 C48 H48 120.4 . . ?
C48 C49 C44 119.8(6) . . ?
C48 C49 H49 120.1 . . ?
C44 C49 H49 120.1 . . ?
O5 Eu1 O4 74.55(10) . . ?
O5 Eu1 O6 135.01(10) . 3_566 ?
O4 Eu1 O6 76.47(10) . 3_566 ?
O5 Eu1 O1 84.08(11) . . ?
O4 Eu1 O1 87.52(12) . . ?
O6 Eu1 O1 128.15(11) 3_566 . ?
O5 Eu1 O3 88.00(11) . 3_566 ?
O4 Eu1 O3 125.03(10) . 3_566 ?
O6 Eu1 O3 81.29(11) 3_566 3_566 ?
O1 Eu1 O3 142.87(11) . 3_566 ?
O5 Eu1 O2 130.04(12) . . ?
O4 Eu1 O2 78.86(11) . . ?
O6 Eu1 O2 75.45(10) 3_566 . ?
O1 Eu1 O2 53.00(10) . . ?
O3 Eu1 O2 141.33(11) 3_566 . ?
O5 Eu1 N1 137.58(10) . . ?
O4 Eu1 N1 146.55(11) . . ?
O6 Eu1 N1 80.83(10) 3_566 . ?
O1 Eu1 N1 87.50(12) . . ?
O3 Eu1 N1 74.33(11) 3_566 . ?
O2 Eu1 N1 71.81(12) . . ?
O5 Eu1 N2 75.68(10) . . ?
O4 Eu1 N2 144.53(11) . . ?
O6 Eu1 N2 138.99(11) 3_566 . ?
O1 Eu1 N2 70.58(12) . . ?
O3 Eu1 N2 72.30(11) 3_566 . ?
O2 Eu1 N2 106.79(11) . . ?
N1 Eu1 N2 62.34(11) . . ?
O5 Eu1 O4 67.70(10) . 3_566 ?
O4 Eu1 O4 75.04(12) . 3_566 ?
O6 Eu1 O4 72.04(10) 3_566 3_566 ?
O1 Eu1 O4 149.76(11) . 3_566 ?
O3 Eu1 O4 50.29(9) 3_566 3_566 ?
O2 Eu1 O4 142.07(10) . 3_566 ?
N1 Eu1 O4 120.51(11) . 3_566 ?
N2 Eu1 O4 110.48(11) . 3_566 ?
O5 Eu1 C26 107.89(13) . . ?
O4 Eu1 C26 83.36(13) . . ?
O6 Eu1 C26 102.05(12) 3_566 . ?
O1 Eu1 C26 26.37(12) . . ?
O3 Eu1 C26 150.91(12) 3_566 . ?
O2 Eu1 C26 26.66(12) . . ?
N1 Eu1 C26 77.68(13) . . ?
N2 Eu1 C26 87.84(13) . . ?
O4 Eu1 C26 158.36(12) 3_566 . ?
O5 Eu1 C34 74.76(12) . 3_566 ?
O4 Eu1 C34 100.54(12) . 3_566 ?
O6 Eu1 C34 77.63(11) 3_566 3_566 ?
O1 Eu1 C34 154.23(11) . 3_566 ?
O3 Eu1 C34 24.98(11) 3_566 3_566 ?
O2 Eu1 C34 152.43(11) . 3_566 ?
N1 Eu1 C34 98.19(12) . 3_566 ?
N2 Eu1 C34 89.76(12) . 3_566 ?
O4 Eu1 C34 25.51(11) 3_566 3_566 ?
C26 Eu1 C34 175.84(13) . 3_566 ?
O5 Eu1 Eu1 65.74(7) . 3_566 ?
O4 Eu1 Eu1 40.15(8) . 3_566 ?
O6 Eu1 Eu1 69.86(7) 3_566 3_566 ?
O1 Eu1 Eu1 123.43(9) . 3_566 ?
O3 Eu1 Eu1 85.04(7) 3_566 3_566 ?
O2 Eu1 Eu1 114.33(8) . 3_566 ?
N1 Eu1 Eu1 146.39(8) . 3_566 ?
N2 Eu1 Eu1 135.70(8) . 3_566 ?
O4 Eu1 Eu1 34.89(6) 3_566 3_566 ?
C26 Eu1 Eu1 123.50(10) . 3_566 ?
C34 Eu1 Eu1 60.40(8) 3_566 3_566 ?
C1 N1 C5 118.8(4) . . ?
C1 N1 Eu1 119.0(3) . . ?
C5 N1 Eu1 122.0(3) . . ?
C7 N2 C6 118.1(4) . . ?
C7 N2 Eu1 121.1(3) . . ?
C6 N2 Eu1 120.6(3) . . ?
C13 N3 C12 106.0(3) . . ?
C13 N3 C20 124.8(3) . . ?
C12 N3 C20 129.2(3) . . ?
C13 N4 C11 104.8(3) . . ?
C17 N5 H5A 109.1 . . ?
C17 N5 H5B 109.0 . . ?
H5A N5 H5B 109.4 . . ?
C26 O1 Eu1 93.4(3) . . ?
C26 O2 Eu1 91.7(3) . . ?
C34 O3 Eu1 99.2(3) . 3_566 ?
C34 O4 Eu1 166.4(3) . . ?
C34 O4 Eu1 88.6(3) . 3_566 ?
Eu1 O4 Eu1 104.96(12) . 3_566 ?
C42 O5 Eu1 142.0(3) . . ?
C42 O6 Eu1 130.5(3) . 3_566 ?

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
N1 C1 C2 C3 0.9(9) . . . . ?
C1 C2 C3 C4 0.6(8) . . . . ?
C2 C3 C4 C5 -1.6(7) . . . . ?
C2 C3 C4 C12 179.7(5) . . . . ?
C3 C4 C5 N1 1.3(7) . . . . ?
C12 C4 C5 N1 -179.8(4) . . . . ?
C3 C4 C5 C6 -177.1(4) . . . . ?
C12 C4 C5 C6 1.8(6) . . . . ?
N1 C5 C6 N2 0.7(6) . . . . ?
C4 C5 C6 N2 179.2(4) . . . . ?
N1 C5 C6 C10 -179.1(4) . . . . ?
C4 C5 C6 C10 -0.6(7) . . . . ?
N2 C7 C8 C9 1.4(9) . . . . ?
C7 C8 C9 C10 -1.0(8) . . . . ?
C8 C9 C10 C6 0.6(8) . . . . ?
C8 C9 C10 C11 179.5(5) . . . . ?
N2 C6 C10 C9 -0.4(7) . . . . ?
C5 C6 C10 C9 179.4(4) . . . . ?
N2 C6 C10 C11 -179.4(4) . . . . ?
C5 C6 C10 C11 0.3(6) . . . . ?
C9 C10 C11 C12 179.6(5) . . . . ?
C6 C10 C11 C12 -1.4(7) . . . . ?
C9 C10 C11 N4 -0.2(8) . . . . ?
C6 C10 C11 N4 178.8(4) . . . . ?
N4 C11 C12 N3 -0.1(5) . . . . ?
C10 C11 C12 N3 -179.8(4) . . . . ?
N4 C11 C12 C4 -177.4(4) . . . . ?
C10 C11 C12 C4 2.9(7) . . . . ?
C3 C4 C12 C11 175.8(5) . . . . ?
C5 C4 C12 C11 -2.9(6) . . . . ?
C3 C4 C12 N3 -0.7(8) . . . . ?
C5 C4 C12 N3 -179.5(4) . . . . ?
N4 C13 C14 C19 133.8(5) . . . . ?
N3 C13 C14 C19 -44.2(7) . . . . ?
N4 C13 C14 C15 -38.7(6) . . . . ?
N3 C13 C14 C15 143.2(4) . . . . ?
C19 C14 C15 C16 -2.6(7) . . . . ?
C13 C14 C15 C16 170.4(4) . . . . ?
C14 C15 C16 C17 -1.4(7) . . . . ?
C15 C16 C17 C18 4.9(7) . . . . ?
C15 C16 C17 N5 -174.8(4) . . . . ?
C16 C17 C18 C19 -4.4(7) . . . . ?
N5 C17 C18 C19 175.2(4) . . . . ?
C17 C18 C19 C14 0.5(7) . . . . ?
C15 C14 C19 C18 3.0(7) . . . . ?
C13 C14 C19 C18 -169.4(4) . . . . ?
C25 C20 C21 C22 -2.8(7) . . . . ?
N3 C20 C21 C22 -178.8(4) . . . . ?
C20 C21 C22 C23 2.6(8) . . . . ?
C21 C22 C23 C24 -0.3(9) . . . . ?
C22 C23 C24 C25 -1.9(10) . . . . ?
C23 C24 C25 C20 1.6(9) . . . . ?
C21 C20 C25 C24 0.7(7) . . . . ?
N3 C20 C25 C24 176.6(5) . . . . ?
O1 C26 C27 C28 167.6(6) . . . . ?
O2 C26 C27 C28 -13.4(9) . . . . ?
C26 C27 C28 C33 111.7(7) . . . . ?
C26 C27 C28 C29 -68.9(8) . . . . ?
C33 C28 C29 C30 -0.8(11) . . . . ?
C27 C28 C29 C30 179.8(7) . . . . ?
C28 C29 C30 C31 -1.1(13) . . . . ?
C29 C30 C31 C32 0.1(17) . . . . ?
C30 C31 C32 C33 2.6(18) . . . . ?
C29 C28 C33 C32 4.0(11) . . . . ?
C27 C28 C33 C32 -176.7(8) . . . . ?
C31 C32 C33 C28 -4.8(15) . . . . ?
O3 C34 C35 C36 -78.8(6) . . . . ?
O4 C34 C35 C36 97.9(5) . . . . ?
Eu1 C34 C35 C36 -15.7(17) 3_566 . . . ?
C34 C35 C36 C37 -117.8(6) . . . . ?
C34 C35 C36 C41 58.6(7) . . . . ?
C41 C36 C37 C38 4.4(10) . . . . ?
C35 C36 C37 C38 -179.0(6) . . . . ?
C36 C37 C38 C39 -1.2(12) . . . . ?
C37 C38 C39 C40 -1.9(14) . . . . ?
C38 C39 C40 C41 1.6(14) . . . . ?
C39 C40 C41 C36 1.8(13) . . . . ?
C37 C36 C41 C40 -4.7(11) . . . . ?
C35 C36 C41 C40 178.8(7) . . . . ?
O6 C42 C43 C44 -7.8(7) . . . . ?
O5 C42 C43 C44 172.8(4) . . . . ?
C42 C43 C44 C45 -118.8(6) . . . . ?
C42 C43 C44 C49 64.0(7) . . . . ?
C49 C44 C45 C46 -0.3(9) . . . . ?
C43 C44 C45 C46 -177.5(6) . . . . ?
C44 C45 C46 C47 -2.0(11) . . . . ?
C45 C46 C47 C48 2.8(12) . . . . ?
C46 C47 C48 C49 -1.3(11) . . . . ?
C47 C48 C49 C44 -1.0(9) . . . . ?
C45 C44 C49 C48 1.7(8) . . . . ?
C43 C44 C49 C48 179.0(5) . . . . ?
C2 C1 N1 C5 -1.2(8) . . . . ?
C2 C1 N1 Eu1 174.2(4) . . . . ?
C4 C5 N1 C1 0.1(7) . . . . ?
C6 C5 N1 C1 178.6(4) . . . . ?
C4 C5 N1 Eu1 -175.1(3) . . . . ?
C6 C5 N1 Eu1 3.4(5) . . . . ?
C8 C7 N2 C6 -1.2(8) . . . . ?
C8 C7 N2 Eu1 -175.9(4) . . . . ?
C10 C6 N2 C7 0.7(7) . . . . ?
C5 C6 N2 C7 -179.1(4) . . . . ?
C10 C6 N2 Eu1 175.4(3) . . . . ?
C5 C6 N2 Eu1 -4.3(5) . . . . ?
N4 C13 N3 C12 0.2(5) . . . . ?
C14 C13 N3 C12 178.4(4) . . . . ?
N4 C13 N3 C20 180.0(4) . . . . ?
C14 C13 N3 C20 -1.8(7) . . . . ?
C11 C12 N3 C13 -0.1(5) . . . . ?
C4 C12 N3 C13 176.9(5) . . . . ?
C11 C12 N3 C20 -179.9(4) . . . . ?
C4 C12 N3 C20 -2.9(8) . . . . ?
C25 C20 N3 C13 -67.8(6) . . . . ?
C21 C20 N3 C13 108.2(5) . . . . ?
C25 C20 N3 C12 111.9(5) . . . . ?
C21 C20 N3 C12 -72.1(6) . . . . ?
N3 C13 N4 C11 -0.2(5) . . . . ?
C14 C13 N4 C11 -178.5(4) . . . . ?
C12 C11 N4 C13 0.1(5) . . . . ?
C10 C11 N4 C13 179.9(4) . . . . ?
O2 C26 O1 Eu1 3.9(5) . . . . ?
C27 C26 O1 Eu1 -177.2(5) . . . . ?
O1 C26 O2 Eu1 -3.8(5) . . . . ?
C27 C26 O2 Eu1 177.2(5) . . . . ?
O4 C34 O3 Eu1 -10.6(4) . . . 3_566 ?
C35 C34 O3 Eu1 166.1(4) . . . 3_566 ?
O3 C34 O4 Eu1 -167.7(10) . . . . ?
C35 C34 O4 Eu1 15.7(15) . . . . ?
Eu1 C34 O4 Eu1 -177.3(13) 3_566 . . . ?
O3 C34 O4 Eu1 9.6(4) . . . 3_566 ?
C35 C34 O4 Eu1 -167.0(4) . . . 3_566 ?
O6 C42 O5 Eu1 -21.3(8) . . . . ?
C43 C42 O5 Eu1 158.0(4) . . . . ?
O5 C42 O6 Eu1 35.9(7) . . . 3_566 ?
C43 C42 O6 Eu1 -143.5(4) . . . 3_566 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N5 H5A O3 0.86 2.28 3.035(5) 146.3 1_645 yes

_refine_diff_density_max         0.912
_refine_diff_density_min         -0.726
_refine_diff_density_rms         0.095

####################################################################### 
# 
# 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_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2351871'
loop_
_audit_author_name
_audit_author_address
'Jian-Zhong Wu'
;South China Normal University
China
;
_audit_update_record             
;
2024-04-29 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C98 H74 Eu2 N8 O14'
_chemical_formula_weight         1891.57

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   9.4359(5)
_cell_length_b                   17.4013(9)
_cell_length_c                   25.6394(14)
_cell_angle_alpha                90
_cell_angle_beta                 91.022(2)
_cell_angle_gamma                90
_cell_volume                     4209.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    9885
_cell_measurement_theta_min      2.67
_cell_measurement_theta_max      56.98

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_F_000             1912
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.548
_shelx_estimated_absorpt_T_min   0.812
_shelx_estimated_absorpt_T_max   0.836
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32581
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_av_R_equivalents  0.0712
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.414
_diffrn_reflns_theta_max         26.387
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             8547
_reflns_number_gt                7460
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0269P)²+11.2156P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8547
_refine_ls_number_parameters     551
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.1007
_refine_ls_wR_factor_gt          0.0960
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9578(5) 0.2479(3) 0.41497(18) 0.0356(10) Uani 1 1 d . . . . .
H1 H 1.040899 0.276133 0.412013 0.043 Uiso 1 1 calc R U . . .
C2 C 0.9540(5) 0.1729(3) 0.3950(2) 0.0427(12) Uani 1 1 d . . . . .
H2 H 1.033666 0.152022 0.379513 0.051 Uiso 1 1 calc R U . . .
C3 C 0.8324(5) 0.1308(2) 0.39843(18) 0.0363(10) Uani 1 1 d . . . . .
H3 H 0.827827 0.081511 0.384502 0.044 Uiso 1 1 calc R U . . .
C4 C 0.7133(4) 0.1627(2) 0.42332(16) 0.0266(8) Uani 1 1 d . . . . .
C5 C 0.7269(4) 0.2389(2) 0.44275(15) 0.0253(8) Uani 1 1 d . . . . .
C6 C 0.6112(4) 0.2757(2) 0.47031(15) 0.0231(7) Uani 1 1 d . . . . .
C7 C 0.5269(4) 0.3816(2) 0.51396(18) 0.0334(9) Uani 1 1 d . . . . .
H7 H 0.540980 0.431250 0.526386 0.040 Uiso 1 1 calc R U . . .
C8 C 0.3976(4) 0.3462(2) 0.52369(19) 0.0346(10) Uani 1 1 d . . . . .
H8 H 0.327615 0.372088 0.541767 0.042 Uiso 1 1 calc R U . . .
C9 C 0.3749(4) 0.2723(2) 0.50613(18) 0.0318(9) Uani 1 1 d . . . . .
H9 H 0.289807 0.247145 0.512221 0.038 Uiso 1 1 calc R U . . .
C10 C 0.4840(4) 0.2358(2) 0.47875(15) 0.0259(8) Uani 1 1 d . . . . .
C11 C 0.4721(4) 0.1588(2) 0.45897(16) 0.0270(8) Uani 1 1 d . . . . .
C12 C 0.5814(4) 0.1248(2) 0.43231(15) 0.0262(8) Uani 1 1 d . . . . .
C13 C 0.3973(4) 0.0461(2) 0.44136(15) 0.0260(8) Uani 1 1 d . . . . .
C14 C 0.3046(4) -0.0219(2) 0.44006(15) 0.0254(8) Uani 1 1 d . . . . .
C15 C 0.3457(4) -0.0983(2) 0.43324(16) 0.0292(9) Uani 1 1 d . . . . .
H15 H 0.440119 -0.109455 0.426650 0.035 Uiso 1 1 calc R U . . .
C16 C 0.2485(4) -0.1575(2) 0.43613(17) 0.0317(9) Uani 1 1 d . . . . .
H16 H 0.277608 -0.207893 0.430797 0.038 Uiso 1 1 calc R U . . .
C17 C 0.1076(4) -0.1420(2) 0.44694(16) 0.0289(9) Uani 1 1 d . . . . .
C18 C 0.0640(5) -0.0661(2) 0.45348(17) 0.0321(9) Uani 1 1 d . . . . .
H18 H -0.030314 -0.055177 0.460318 0.039 Uiso 1 1 calc R U . . .
C19 C 0.1614(4) -0.0074(2) 0.44975(16) 0.0272(8) Uani 1 1 d . . . . .
H19 H 0.131301 0.043101 0.453771 0.033 Uiso 1 1 calc R U . . .
C20 C 0.5980(4) -0.0055(2) 0.38794(15) 0.0265(8) Uani 1 1 d . . . . .
C21 C 0.5583(6) -0.0096(3) 0.33617(19) 0.0472(12) Uani 1 1 d . . . . .
H21 H 0.492380 0.024611 0.322052 0.057 Uiso 1 1 calc R U . . .
C22 C 0.6190(7) -0.0663(4) 0.3053(2) 0.0657(18) Uani 1 1 d . . . . .
H22 H 0.593993 -0.069923 0.270129 0.079 Uiso 1 1 calc R U . . .
C23 C 0.7165(6) -0.1174(4) 0.3268(2) 0.0581(15) Uani 1 1 d . . . . .
H23 H 0.756379 -0.155231 0.306048 0.070 Uiso 1 1 calc R U . . .
C24 C 0.7539(5) -0.1122(3) 0.3779(2) 0.0424(11) Uani 1 1 d . . . . .
H24 H 0.820077 -0.146365 0.391991 0.051 Uiso 1 1 calc R U . . .
C25 C 0.6948(4) -0.0569(2) 0.40917(17) 0.0313(9) Uani 1 1 d . . . . .
H25 H 0.719925 -0.054112 0.444361 0.038 Uiso 1 1 calc R U . . .
C26 C 0.7110(5) 0.4618(3) 0.37556(17) 0.0326(9) Uani 1 1 d . . . . .
C27 C 0.6273(6) 0.4771(4) 0.32529(19) 0.0527(14) Uani 1 1 d . . . . .
H27A H 0.550822 0.439956 0.322786 0.063 Uiso 1 1 calc R U . . .
H27B H 0.584578 0.527643 0.327718 0.063 Uiso 1 1 calc R U . . .
C28 C 0.7094(6) 0.4736(4) 0.27608(19) 0.0494(13) Uani 1 1 d . . . . .
C29 C 0.7638(10) 0.4063(5) 0.2587(3) 0.091(3) Uani 1 1 d . . . . .
H29 H 0.746512 0.360463 0.276093 0.109 Uiso 1 1 calc R U . . .
C30 C 0.8489(12) 0.4075(6) 0.2125(3) 0.112(4) Uani 1 1 d . . . . .
H30 H 0.889853 0.362225 0.200635 0.134 Uiso 1 1 calc R U . . .
C31 C 0.8692(9) 0.4727(7) 0.1867(3) 0.099(3) Uani 1 1 d . . . . .
H31 H 0.923695 0.472554 0.156797 0.118 Uiso 1 1 calc R U . . .
C32 C 0.8119(9) 0.5392(6) 0.2033(3) 0.091(3) Uani 1 1 d . . . . .
H32 H 0.825111 0.584332 0.184627 0.110 Uiso 1 1 calc R U . . .
C33 C 0.7331(8) 0.5396(4) 0.2484(2) 0.0709(18) Uani 1 1 d . . . . .
H33 H 0.695395 0.585720 0.260176 0.085 Uiso 1 1 calc R U . . .
C34 C 0.9933(4) 0.6121(2) 0.43193(17) 0.0300(9) Uani 1 1 d . . . . .
C35 C 0.9323(6) 0.6374(3) 0.37935(19) 0.0466(12) Uani 1 1 d . . . . .
H35A H 0.854652 0.603729 0.369186 0.056 Uiso 1 1 calc R U . . .
H35B H 0.895529 0.689246 0.382062 0.056 Uiso 1 1 calc R U . . .
C36 C 1.0452(7) 0.6348(3) 0.3386(2) 0.0582(15) Uani 1 1 d . . . . .
C37 C 1.0624(8) 0.5708(4) 0.3078(3) 0.0710(18) Uani 1 1 d . . . . .
H37 H 1.001810 0.529247 0.312225 0.085 Uiso 1 1 calc R U . . .
C38 C 1.1646(10) 0.5660(5) 0.2713(4) 0.096(3) Uani 1 1 d . . . . .
H38 H 1.175396 0.521512 0.251680 0.115 Uiso 1 1 calc R U . . .
C39 C 1.2511(12) 0.6280(7) 0.2642(3) 0.118(4) Uani 1 1 d . . . . .
H39 H 1.320879 0.625851 0.239045 0.142 Uiso 1 1 calc R U . . .
C40 C 1.2367(13) 0.6926(6) 0.2932(4) 0.137(5) Uani 1 1 d . . . . .
H40 H 1.297342 0.734126 0.288728 0.165 Uiso 1 1 calc R U . . .
C41 C 1.1291(11) 0.6960(5) 0.3301(3) 0.108(3) Uani 1 1 d . . . . .
H41 H 1.115415 0.740999 0.348955 0.129 Uiso 1 1 calc R U . . .
C42 C 0.7961(4) 0.5560(2) 0.56249(16) 0.0279(8) Uani 1 1 d . . . . .
C43 C 0.6948(5) 0.5678(3) 0.60774(19) 0.0418(11) Uani 1 1 d . . . . .
H43A H 0.599636 0.573713 0.593316 0.050 Uiso 1 1 calc R U . . .
H43B H 0.695537 0.521515 0.628802 0.050 Uiso 1 1 calc R U . . .
C44 C 0.7252(5) 0.6357(3) 0.64337(18) 0.0385(10) Uani 1 1 d . . . . .
C45 C 0.6258(8) 0.6935(4) 0.6492(2) 0.0654(17) Uani 1 1 d . . . . .
H45 H 0.540543 0.692407 0.630482 0.078 Uiso 1 1 calc R U . . .
C46 C 0.6567(11) 0.7545(4) 0.6845(3) 0.094(3) Uani 1 1 d . . . . .
H46 H 0.590518 0.793376 0.689137 0.113 Uiso 1 1 calc R U . . .
C47 C 0.7821(11) 0.7566(4) 0.7116(3) 0.086(2) Uani 1 1 d . . . . .
H47 H 0.801149 0.797061 0.734380 0.104 Uiso 1 1 calc R U . . .
C48 C 0.8781(8) 0.7007(4) 0.7058(2) 0.0649(17) Uani 1 1 d . . . . .
H48 H 0.963698 0.702767 0.724292 0.078 Uiso 1 1 calc R U . . .
C49 C 0.8507(6) 0.6402(3) 0.67245(19) 0.0469(12) Uani 1 1 d . . . . .
H49 H 0.917811 0.601376 0.669327 0.056 Uiso 1 1 calc R U . . .
Eu1 Eu 0.86042(2) 0.42454(2) 0.46763(2) 0.02250(7) Uani 1 1 d . . . . .
N1 N 0.8478(3) 0.28037(19) 0.43794(13) 0.0271(7) Uani 1 1 d . . . . .
N2 N 0.6314(3) 0.34872(18) 0.48804(13) 0.0267(7) Uani 1 1 d . . . . .
N3 N 0.5326(3) 0.05111(19) 0.42058(13) 0.0262(7) Uani 1 1 d . . . . .
N4 N 0.3599(3) 0.1103(2) 0.46437(13) 0.0280(7) Uani 1 1 d . . . . .
O1 O 0.6621(3) 0.48533(18) 0.41761(12) 0.0352(7) Uani 1 1 d . . . . .
O2 O 0.8244(4) 0.42387(19) 0.37372(12) 0.0395(7) Uani 1 1 d . . . . .
O3 O 1.0769(3) 0.65609(16) 0.45611(11) 0.0317(6) Uani 1 1 d . . . . .
O4 O 0.9592(3) 0.54791(16) 0.45084(11) 0.0288(6) Uani 1 1 d . . . . .
O5 O 0.7606(3) 0.50239(16) 0.53203(11) 0.0290(6) Uani 1 1 d . . . . .
O6 O 0.9041(3) 0.59734(16) 0.55880(11) 0.0281(6) Uani 1 1 d . . . . .
OH O 0.0064(3) -0.19739(17) 0.45133(14) 0.0389(7) Uani 1 1 d . . . . .
HH H 0.043974 -0.239889 0.451050 0.058 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.328(5) . ?
C1 C2 1.402(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.366(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.415(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.422(5) . ?
C4 C12 1.431(5) . ?
C5 N1 1.358(5) . ?
C5 C6 1.459(5) . ?
C6 N2 1.362(5) . ?
C6 C10 1.406(5) . ?
C7 N2 1.328(5) . ?
C7 C8 1.393(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.378(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.407(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.437(5) . ?
C11 N4 1.363(5) . ?
C11 C12 1.380(6) . ?
C12 N3 1.393(5) . ?
C13 N4 1.315(5) . ?
C13 N3 1.395(5) . ?
C13 C14 1.472(5) . ?
C14 C15 1.396(6) . ?
C14 C19 1.401(6) . ?
C15 C16 1.383(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.389(6) . ?
C16 H16 0.9300 . ?
C17 OH 1.362(5) . ?
C17 C18 1.394(6) . ?
C18 C19 1.379(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.375(6) . ?
C20 C25 1.383(6) . ?
C20 N3 1.439(5) . ?
C21 C22 1.395(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.386(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.354(8) . ?
C23 H23 0.9300 . ?
C24 C25 1.377(6) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 O1 1.249(5) . ?
C26 O2 1.259(5) . ?
C26 C27 1.523(6) . ?
C26 Eu1 2.804(4) . ?
C27 C28 1.493(7) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.358(9) . ?
C28 C33 1.370(8) . ?
C29 C30 1.443(11) . ?
C29 H29 0.9300 . ?
C30 C31 1.330(13) . ?
C30 H30 0.9300 . ?
C31 C32 1.349(12) . ?
C31 H31 0.9300 . ?
C32 C33 1.387(9) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 O3 1.255(5) . ?
C34 O4 1.262(5) . ?
C34 C35 1.521(6) . ?
C34 Eu1 2.969(4) 3_766 ?
C35 C36 1.506(8) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C41 1.347(9) . ?
C36 C37 1.376(8) . ?
C37 C38 1.358(11) . ?
C37 H37 0.9300 . ?
C38 C39 1.368(13) . ?
C38 H38 0.9300 . ?
C39 C40 1.357(13) . ?
C39 H39 0.9300 . ?
C40 C41 1.401(12) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 O6 1.252(5) . ?
C42 O5 1.258(5) . ?
C42 C43 1.531(6) . ?
C43 C44 1.517(7) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 C45 1.386(7) . ?
C44 C49 1.390(7) . ?
C45 C46 1.421(10) . ?
C45 H45 0.9300 . ?
C46 C47 1.363(12) . ?
C46 H46 0.9300 . ?
C47 C48 1.339(11) . ?
C47 H47 0.9300 . ?
C48 C49 1.378(8) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
Eu1 O5 2.346(3) . ?
Eu1 O6 2.365(3) 3_766 ?
Eu1 O4 2.383(3) . ?
Eu1 O2 2.426(3) . ?
Eu1 O3 2.470(3) 3_766 ?
Eu1 O1 2.486(3) . ?
Eu1 N2 2.593(3) . ?
Eu1 N1 2.624(3) . ?
Eu1 O4 2.715(3) 3_766 ?
Eu1 Eu1 4.0540(4) 3_766 ?
OH HH 0.8200 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.9(4) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C3 C2 C1 119.4(4) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 119.6(4) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 117.1(4) . . ?
C3 C4 C12 126.3(4) . . ?
C5 C4 C12 116.5(3) . . ?
N1 C5 C4 122.3(3) . . ?
N1 C5 C6 116.6(3) . . ?
C4 C5 C6 121.1(3) . . ?
N2 C6 C10 121.6(3) . . ?
N2 C6 C5 118.0(3) . . ?
C10 C6 C5 120.4(3) . . ?
N2 C7 C8 124.0(4) . . ?
N2 C7 H7 118.0 . . ?
C8 C7 H7 118.0 . . ?
C9 C8 C7 119.0(4) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C8 C9 C10 118.2(4) . . ?
C8 C9 H9 120.9 . . ?
C10 C9 H9 120.9 . . ?
C6 C10 C9 119.2(4) . . ?
C6 C10 C11 117.9(3) . . ?
C9 C10 C11 122.9(4) . . ?
N4 C11 C12 111.9(3) . . ?
N4 C11 C10 126.7(4) . . ?
C12 C11 C10 121.4(3) . . ?
C11 C12 N3 104.8(3) . . ?
C11 C12 C4 122.8(4) . . ?
N3 C12 C4 132.4(4) . . ?
N4 C13 N3 111.9(3) . . ?
N4 C13 C14 121.9(4) . . ?
N3 C13 C14 126.1(4) . . ?
C15 C14 C19 117.7(4) . . ?
C15 C14 C13 127.0(4) . . ?
C19 C14 C13 115.2(3) . . ?
C16 C15 C14 121.1(4) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C16 C17 120.3(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
OH C17 C16 123.7(4) . . ?
OH C17 C18 116.8(4) . . ?
C16 C17 C18 119.5(4) . . ?
C19 C18 C17 119.7(4) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C14 121.7(4) . . ?
C18 C19 H19 119.2 . . ?
C14 C19 H19 119.2 . . ?
C21 C20 C25 120.8(4) . . ?
C21 C20 N3 119.0(4) . . ?
C25 C20 N3 120.1(4) . . ?
C20 C21 C22 118.5(5) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
C23 C22 C21 120.3(5) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C22 120.1(5) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 120.6(5) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C24 C25 C20 119.6(4) . . ?
C24 C25 H25 120.2 . . ?
C20 C25 H25 120.2 . . ?
O1 C26 O2 122.1(4) . . ?
O1 C26 C27 118.7(4) . . ?
O2 C26 C27 119.2(4) . . ?
O1 C26 Eu1 62.4(2) . . ?
O2 C26 Eu1 59.7(2) . . ?
C27 C26 Eu1 176.6(4) . . ?
C28 C27 C26 116.0(4) . . ?
C28 C27 H27A 108.3 . . ?
C26 C27 H27A 108.3 . . ?
C28 C27 H27B 108.3 . . ?
C26 C27 H27B 108.3 . . ?
H27A C27 H27B 107.4 . . ?
C29 C28 C33 119.1(6) . . ?
C29 C28 C27 121.2(6) . . ?
C33 C28 C27 119.7(6) . . ?
C28 C29 C30 118.5(7) . . ?
C28 C29 H29 120.8 . . ?
C30 C29 H29 120.8 . . ?
C31 C30 C29 120.5(8) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 120.8(7) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C31 C32 C33 119.5(8) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
C28 C33 C32 121.5(7) . . ?
C28 C33 H33 119.3 . . ?
C32 C33 H33 119.3 . . ?
O3 C34 O4 120.8(4) . . ?
O3 C34 C35 119.1(4) . . ?
O4 C34 C35 120.1(4) . . ?
O3 C34 Eu1 54.8(2) . 3_766 ?
O4 C34 Eu1 66.1(2) . 3_766 ?
C35 C34 Eu1 173.4(3) . 3_766 ?
C36 C35 C34 110.2(4) . . ?
C36 C35 H35A 109.6 . . ?
C34 C35 H35A 109.6 . . ?
C36 C35 H35B 109.6 . . ?
C34 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
C41 C36 C37 118.1(7) . . ?
C41 C36 C35 120.9(6) . . ?
C37 C36 C35 120.9(6) . . ?
C38 C37 C36 122.5(7) . . ?
C38 C37 H37 118.7 . . ?
C36 C37 H37 118.7 . . ?
C37 C38 C39 118.5(8) . . ?
C37 C38 H38 120.8 . . ?
C39 C38 H38 120.8 . . ?
C40 C39 C38 120.9(8) . . ?
C40 C39 H39 119.5 . . ?
C38 C39 H39 119.5 . . ?
C39 C40 C41 119.1(9) . . ?
C39 C40 H40 120.4 . . ?
C41 C40 H40 120.4 . . ?
C36 C41 C40 120.7(8) . . ?
C36 C41 H41 119.6 . . ?
C40 C41 H41 119.6 . . ?
O6 C42 O5 125.9(4) . . ?
O6 C42 C43 120.0(4) . . ?
O5 C42 C43 114.0(4) . . ?
C44 C43 C42 116.5(4) . . ?
C44 C43 H43A 108.2 . . ?
C42 C43 H43A 108.2 . . ?
C44 C43 H43B 108.2 . . ?
C42 C43 H43B 108.2 . . ?
H43A C43 H43B 107.3 . . ?
C45 C44 C49 118.2(5) . . ?
C45 C44 C43 120.6(5) . . ?
C49 C44 C43 121.2(4) . . ?
C44 C45 C46 118.7(7) . . ?
C44 C45 H45 120.7 . . ?
C46 C45 H45 120.7 . . ?
C47 C46 C45 120.8(7) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C48 C47 C46 120.4(7) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C47 C48 C49 120.3(7) . . ?
C47 C48 H48 119.8 . . ?
C49 C48 H48 119.8 . . ?
C48 C49 C44 121.6(6) . . ?
C48 C49 H49 119.2 . . ?
C44 C49 H49 119.2 . . ?
O5 Eu1 O6 133.27(9) . 3_766 ?
O5 Eu1 O4 76.71(9) . . ?
O6 Eu1 O4 73.78(10) 3_766 . ?
O5 Eu1 O2 130.59(11) . . ?
O6 Eu1 O2 80.23(11) 3_766 . ?
O4 Eu1 O2 82.72(11) . . ?
O5 Eu1 O3 82.20(10) . 3_766 ?
O6 Eu1 O3 85.55(10) 3_766 3_766 ?
O4 Eu1 O3 124.46(10) . 3_766 ?
O2 Eu1 O3 144.14(10) . 3_766 ?
O5 Eu1 O1 79.02(10) . . ?
O6 Eu1 O1 128.53(10) 3_766 . ?
O4 Eu1 O1 79.44(10) . . ?
O2 Eu1 O1 53.07(10) . . ?
O3 Eu1 O1 144.85(10) 3_766 . ?
O5 Eu1 N2 78.78(10) . . ?
O6 Eu1 N2 140.02(10) 3_766 . ?
O4 Eu1 N2 145.59(10) . . ?
O2 Eu1 N2 95.48(11) . . ?
O3 Eu1 N2 74.93(10) 3_766 . ?
O1 Eu1 N2 72.44(10) . . ?
O5 Eu1 N1 137.70(10) . . ?
O6 Eu1 N1 78.52(9) 3_766 . ?
O4 Eu1 N1 145.58(10) . . ?
O2 Eu1 N1 72.70(11) . . ?
O3 Eu1 N1 72.27(10) 3_766 . ?
O1 Eu1 N1 103.14(11) . . ?
N2 Eu1 N1 62.51(10) . . ?
O5 Eu1 O4 67.04(9) . 3_766 ?
O6 Eu1 O4 70.73(9) 3_766 3_766 ?
O4 Eu1 O4 74.82(10) . 3_766 ?
O2 Eu1 O4 147.14(10) . 3_766 ?
O3 Eu1 O4 49.66(9) 3_766 3_766 ?
O1 Eu1 O4 141.07(9) . 3_766 ?
N2 Eu1 O4 116.60(9) . 3_766 ?
N1 Eu1 O4 114.64(10) . 3_766 ?
O5 Eu1 C26 104.88(12) . . ?
O6 Eu1 C26 104.88(11) 3_766 . ?
O4 Eu1 C26 80.32(11) . . ?
O2 Eu1 C26 26.63(12) . . ?
O3 Eu1 C26 155.19(11) 3_766 . ?
O1 Eu1 C26 26.45(11) . . ?
N2 Eu1 C26 83.07(11) . . ?
N1 Eu1 C26 87.56(12) . . ?
O4 Eu1 C26 155.00(11) 3_766 . ?
O5 Eu1 C34 72.53(11) . 3_766 ?
O6 Eu1 C34 77.85(11) 3_766 3_766 ?
O4 Eu1 C34 99.96(11) . 3_766 ?
O2 Eu1 C34 156.14(11) . 3_766 ?
O3 Eu1 C34 24.54(10) 3_766 3_766 ?
O1 Eu1 C34 150.79(11) . 3_766 ?
N2 Eu1 C34 95.27(11) . 3_766 ?
N1 Eu1 C34 93.69(11) . 3_766 ?
O4 Eu1 C34 25.14(10) 3_766 3_766 ?
C26 Eu1 C34 177.19(12) . 3_766 ?
O5 Eu1 Eu1 66.65(7) . 3_766 ?
O6 Eu1 Eu1 67.35(7) 3_766 3_766 ?
O4 Eu1 Eu1 40.26(7) . 3_766 ?
O2 Eu1 Eu1 119.21(8) . 3_766 ?
O3 Eu1 Eu1 84.21(6) 3_766 3_766 ?
O1 Eu1 Eu1 114.40(7) . 3_766 ?
N2 Eu1 Eu1 141.69(7) . 3_766 ?
N1 Eu1 Eu1 139.82(7) . 3_766 ?
O4 Eu1 Eu1 34.56(6) 3_766 3_766 ?
C26 Eu1 Eu1 120.53(9) . 3_766 ?
C34 Eu1 Eu1 59.70(8) 3_766 3_766 ?
C1 N1 C5 118.6(3) . . ?
C1 N1 Eu1 120.3(3) . . ?
C5 N1 Eu1 121.1(2) . . ?
C7 N2 C6 117.9(3) . . ?
C7 N2 Eu1 120.7(3) . . ?
C6 N2 Eu1 121.3(2) . . ?
C12 N3 C13 106.0(3) . . ?
C12 N3 C20 127.7(3) . . ?
C13 N3 C20 125.8(3) . . ?
C13 N4 C11 105.4(3) . . ?
C26 O1 Eu1 91.1(3) . . ?
C26 O2 Eu1 93.7(3) . . ?
C34 O3 Eu1 100.6(2) . 3_766 ?
C34 O4 Eu1 166.0(3) . . ?
C34 O4 Eu1 88.8(2) . 3_766 ?
Eu1 O4 Eu1 105.18(10) . 3_766 ?
C42 O5 Eu1 139.4(2) . . ?
C42 O6 Eu1 134.3(3) . 3_766 ?
C17 OH HH 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 0.7(8) . . . . ?
C1 C2 C3 C4 -1.7(8) . . . . ?
C2 C3 C4 C5 1.3(7) . . . . ?
C2 C3 C4 C12 -176.7(5) . . . . ?
C3 C4 C5 N1 0.1(6) . . . . ?
C12 C4 C5 N1 178.3(4) . . . . ?
C3 C4 C5 C6 -178.2(4) . . . . ?
C12 C4 C5 C6 0.0(6) . . . . ?
N1 C5 C6 N2 1.3(5) . . . . ?
C4 C5 C6 N2 179.8(4) . . . . ?
N1 C5 C6 C10 -177.6(4) . . . . ?
C4 C5 C6 C10 0.8(6) . . . . ?
N2 C7 C8 C9 0.7(7) . . . . ?
C7 C8 C9 C10 -0.3(7) . . . . ?
N2 C6 C10 C9 0.1(6) . . . . ?
C5 C6 C10 C9 179.0(4) . . . . ?
N2 C6 C10 C11 -179.6(4) . . . . ?
C5 C6 C10 C11 -0.6(6) . . . . ?
C8 C9 C10 C6 0.0(6) . . . . ?
C8 C9 C10 C11 179.6(4) . . . . ?
C6 C10 C11 N4 178.1(4) . . . . ?
C9 C10 C11 N4 -1.6(7) . . . . ?
C6 C10 C11 C12 -0.3(6) . . . . ?
C9 C10 C11 C12 -179.9(4) . . . . ?
N4 C11 C12 N3 0.2(5) . . . . ?
C10 C11 C12 N3 178.8(4) . . . . ?
N4 C11 C12 C4 -177.5(4) . . . . ?
C10 C11 C12 C4 1.1(6) . . . . ?
C3 C4 C12 C11 177.1(4) . . . . ?
C5 C4 C12 C11 -0.9(6) . . . . ?
C3 C4 C12 N3 0.1(8) . . . . ?
C5 C4 C12 N3 -177.9(4) . . . . ?
N4 C13 C14 C15 -157.0(4) . . . . ?
N3 C13 C14 C15 21.3(7) . . . . ?
N4 C13 C14 C19 19.1(6) . . . . ?
N3 C13 C14 C19 -162.6(4) . . . . ?
C19 C14 C15 C16 -0.2(6) . . . . ?
C13 C14 C15 C16 175.8(4) . . . . ?
C14 C15 C16 C17 -1.3(7) . . . . ?
C15 C16 C17 OH -178.8(4) . . . . ?
C15 C16 C17 C18 1.7(7) . . . . ?
OH C17 C18 C19 179.7(4) . . . . ?
C16 C17 C18 C19 -0.8(7) . . . . ?
C17 C18 C19 C14 -0.7(7) . . . . ?
C15 C14 C19 C18 1.2(6) . . . . ?
C13 C14 C19 C18 -175.3(4) . . . . ?
C25 C20 C21 C22 -0.7(8) . . . . ?
N3 C20 C21 C22 -178.0(5) . . . . ?
C20 C21 C22 C23 0.4(9) . . . . ?
C21 C22 C23 C24 -0.3(10) . . . . ?
C22 C23 C24 C25 0.6(9) . . . . ?
C23 C24 C25 C20 -0.9(7) . . . . ?
C21 C20 C25 C24 1.0(7) . . . . ?
N3 C20 C25 C24 178.2(4) . . . . ?
O1 C26 C27 C28 159.2(5) . . . . ?
O2 C26 C27 C28 -23.1(7) . . . . ?
C26 C27 C28 C29 67.6(8) . . . . ?
C26 C27 C28 C33 -111.0(6) . . . . ?
C33 C28 C29 C30 2.2(12) . . . . ?
C27 C28 C29 C30 -176.5(7) . . . . ?
C28 C29 C30 C31 -2.3(14) . . . . ?
C29 C30 C31 C32 0.5(15) . . . . ?
C30 C31 C32 C33 1.3(14) . . . . ?
C29 C28 C33 C32 -0.4(11) . . . . ?
C27 C28 C33 C32 178.3(6) . . . . ?
C31 C32 C33 C28 -1.4(12) . . . . ?
O3 C34 C35 C36 72.0(5) . . . . ?
O4 C34 C35 C36 -108.3(5) . . . . ?
C34 C35 C36 C41 -88.6(8) . . . . ?
C34 C35 C36 C37 93.5(7) . . . . ?
C41 C36 C37 C38 3.2(12) . . . . ?
C35 C36 C37 C38 -178.9(7) . . . . ?
C36 C37 C38 C39 -1.6(14) . . . . ?
C37 C38 C39 C40 0.8(17) . . . . ?
C38 C39 C40 C41 -2(2) . . . . ?
C37 C36 C41 C40 -3.9(14) . . . . ?
C35 C36 C41 C40 178.1(9) . . . . ?
C39 C40 C41 C36 3.2(18) . . . . ?
O6 C42 C43 C44 5.7(7) . . . . ?
O5 C42 C43 C44 -175.3(4) . . . . ?
C42 C43 C44 C45 120.1(5) . . . . ?
C42 C43 C44 C49 -62.4(6) . . . . ?
C49 C44 C45 C46 0.1(8) . . . . ?
C43 C44 C45 C46 177.7(5) . . . . ?
C44 C45 C46 C47 0.7(11) . . . . ?
C45 C46 C47 C48 -0.5(13) . . . . ?
C46 C47 C48 C49 -0.4(11) . . . . ?
C47 C48 C49 C44 1.2(9) . . . . ?
C45 C44 C49 C48 -1.0(8) . . . . ?
C43 C44 C49 C48 -178.6(5) . . . . ?
C2 C1 N1 C5 0.7(7) . . . . ?
C2 C1 N1 Eu1 -175.4(4) . . . . ?
C4 C5 N1 C1 -1.1(6) . . . . ?
C6 C5 N1 C1 177.3(4) . . . . ?
C4 C5 N1 Eu1 175.0(3) . . . . ?
C6 C5 N1 Eu1 -6.6(5) . . . . ?
C8 C7 N2 C6 -0.6(7) . . . . ?
C8 C7 N2 Eu1 176.0(4) . . . . ?
C10 C6 N2 C7 0.2(6) . . . . ?
C5 C6 N2 C7 -178.8(4) . . . . ?
C10 C6 N2 Eu1 -176.4(3) . . . . ?
C5 C6 N2 Eu1 4.6(5) . . . . ?
C11 C12 N3 C13 -0.3(4) . . . . ?
C4 C12 N3 C13 177.1(4) . . . . ?
C11 C12 N3 C20 172.2(4) . . . . ?
C4 C12 N3 C20 -10.5(7) . . . . ?
N4 C13 N3 C12 0.3(5) . . . . ?
C14 C13 N3 C12 -178.2(4) . . . . ?
N4 C13 N3 C20 -172.4(4) . . . . ?
C14 C13 N3 C20 9.2(6) . . . . ?
C21 C20 N3 C12 -93.6(5) . . . . ?
C25 C20 N3 C12 89.2(5) . . . . ?
C21 C20 N3 C13 77.5(5) . . . . ?
C25 C20 N3 C13 -99.8(5) . . . . ?
N3 C13 N4 C11 -0.2(5) . . . . ?
C14 C13 N4 C11 178.4(4) . . . . ?
C12 C11 N4 C13 0.0(5) . . . . ?
C10 C11 N4 C13 -178.5(4) . . . . ?
O2 C26 O1 Eu1 -1.2(4) . . . . ?
C27 C26 O1 Eu1 176.3(4) . . . . ?
O1 C26 O2 Eu1 1.3(4) . . . . ?
C27 C26 O2 Eu1 -176.3(4) . . . . ?
O4 C34 O3 Eu1 3.5(4) . . . 3_766 ?
C35 C34 O3 Eu1 -176.8(3) . . . 3_766 ?
O3 C34 O4 Eu1 178.8(8) . . . . ?
C35 C34 O4 Eu1 -0.8(14) . . . . ?
Eu1 C34 O4 Eu1 -178.0(11) 3_766 . . . ?
O3 C34 O4 Eu1 -3.2(4) . . . 3_766 ?
C35 C34 O4 Eu1 177.2(4) . . . 3_766 ?
O6 C42 O5 Eu1 16.7(7) . . . . ?
C43 C42 O5 Eu1 -162.2(3) . . . . ?
O5 C42 O6 Eu1 -36.3(6) . . . 3_766 ?
C43 C42 O6 Eu1 142.6(3) . . . 3_766 ?

_refine_diff_density_max         0.870
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.109

