# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_la1_2
_database_code_depnum_ccdc_archive 'CCDC 2481118'
loop_
_audit_author_name
_audit_author_address
'Paulina Kalle'
;IGIC RAS
Russia
;
_audit_update_record             
;
2025-08-18 deposited with the CCDC.	2025-11-07 downloaded from the CCDC.
;
_audit_creation_date             2025-08-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H33 La N10 O16, H2 O'
_chemical_formula_sum            'C26 H35 La N10 O17'
_chemical_formula_weight         898.55
_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'
La La -0.2871 2.4523 '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                   9.1879(3)
_cell_length_b                   9.3337(3)
_cell_length_c                   21.2534(8)
_cell_angle_alpha                88.7220(10)
_cell_angle_beta                 79.5490(10)
_cell_angle_gamma                69.9790(10)
_cell_volume                     1682.51(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      26.432
_cell_measurement_theta_min      2.325
_shelx_estimated_absorpt_T_max   0.986
_shelx_estimated_absorpt_T_min   0.843
_exptl_absorpt_coefficient_mu    1.363
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6115
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0973 before and 0.0524 after correction.
The Ratio of minimum to maximum transmission is 0.8204.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            22739
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.450
_diffrn_reflns_theta_min         1.951
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_target            Mo
_diffrn_source_type              'fine-focus sealed X-ray tube'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6234
_reflns_number_total             6919
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.943
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         6919
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0362
_refine_ls_restrained_S_all      1.061
_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)+(0.0232P)²+3.0193P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0757
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,
 H19B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B),
 C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B)
2.b Aromatic/amide H refined with riding coordinates:
 N3(H3), N4(H4), C3(H3A), C4(H4A), C6(H6A), C7(H7), C9(H9), C10(H10)
;
_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
La1 La 0.32677(2) 0.36358(2) 0.29737(2) 0.01659(6) Uani 1 1 d . . . . .
O1 O 0.1440(3) 0.2141(3) 0.30089(11) 0.0220(5) Uani 1 1 d . . . . .
O2 O 0.5104(3) 0.5117(3) 0.28966(11) 0.0225(5) Uani 1 1 d . . . . .
O3 O 0.3116(3) 0.0612(3) 0.01211(12) 0.0314(6) Uani 1 1 d . . . . .
O4 O 0.8406(3) 0.4214(3) 0.03738(12) 0.0284(6) Uani 1 1 d . . . . .
O6 O 0.4259(3) 0.1393(3) 0.20720(11) 0.0241(5) Uani 1 1 d . . . . .
O5 O 0.6157(3) 0.2101(3) 0.22484(11) 0.0251(6) Uani 1 1 d . . . . .
O7 O 0.6571(3) 0.0463(3) 0.14616(12) 0.0301(6) Uani 1 1 d . . . . .
O9 O 0.1528(3) 0.4326(3) 0.20287(12) 0.0251(5) Uani 1 1 d . . . . .
O8 O 0.3788(3) 0.4642(3) 0.17969(11) 0.0241(5) Uani 1 1 d . . . . .
O10 O 0.2174(3) 0.5254(3) 0.11181(13) 0.0364(7) Uani 1 1 d . . . . .
O12 O 0.0249(3) 0.5423(3) 0.33393(11) 0.0224(5) Uani 1 1 d . . . . .
O11 O 0.1762(3) 0.6629(3) 0.28675(12) 0.0232(5) Uani 1 1 d . . . . .
O13 O -0.0741(3) 0.7860(3) 0.31949(13) 0.0303(6) Uani 1 1 d . . . . .
O14 O 0.2180(3) 0.3431(3) 0.42102(12) 0.0314(6) Uani 1 1 d . . . . .
O15 O 0.2803(3) 0.5441(3) 0.40015(12) 0.0303(6) Uani 1 1 d . . . . .
O16 O 0.1917(6) 0.5030(4) 0.49833(14) 0.0754(13) Uani 1 1 d . . . . .
N1 N 0.4062(3) 0.0848(3) 0.34774(13) 0.0186(6) Uani 1 1 d . . . . .
N2 N 0.5809(3) 0.2640(3) 0.35611(13) 0.0184(6) Uani 1 1 d . . . . .
N3 N 0.1313(3) -0.0149(3) 0.27695(13) 0.0204(6) Uani 1 1 d . . . . .
H3 H 0.170699 -0.114343 0.280316 0.024 Uiso 1 1 calc R U . . .
N4 N 0.7210(3) 0.5688(3) 0.30315(14) 0.0215(6) Uani 1 1 d . . . . .
H4 H 0.808777 0.542463 0.318534 0.026 Uiso 1 1 calc R U . . .
N5 N 0.1736(3) -0.0334(3) 0.13047(14) 0.0216(6) Uani 1 1 d . . . . .
N6 N 0.7450(3) 0.6289(3) 0.14728(14) 0.0210(6) Uani 1 1 d . . . . .
H6 H 0.632(5) 0.684(5) 0.1497(19) 0.042(12) Uiso 1 1 d . . . . .
N7 N 0.5684(3) 0.1303(3) 0.19173(14) 0.0213(6) Uani 1 1 d . . . . .
N8 N 0.2481(3) 0.4748(3) 0.16350(14) 0.0223(6) Uani 1 1 d . . . . .
N9 N 0.0394(3) 0.6661(3) 0.31396(13) 0.0214(6) Uani 1 1 d . . . . .
N10 N 0.2283(4) 0.4644(4) 0.44128(15) 0.0353(8) Uani 1 1 d . . . . .
C1 C 0.3171(4) 0.0002(4) 0.34315(16) 0.0204(7) Uani 1 1 d . . . . .
C2 C 0.1894(4) 0.0729(4) 0.30480(16) 0.0203(7) Uani 1 1 d . . . . .
C3 C 0.3361(4) -0.1372(4) 0.37483(16) 0.0235(8) Uani 1 1 d . . . . .
H3A H 0.270536 -0.195016 0.370938 0.028 Uiso 1 1 calc R U . . .
C4 C 0.4512(4) -0.1862(4) 0.41150(16) 0.0252(8) Uani 1 1 d . . . . .
H4A H 0.465090 -0.278235 0.433587 0.030 Uiso 1 1 calc R U . . .
C5 C 0.5488(4) -0.1001(4) 0.41640(16) 0.0239(8) Uani 1 1 d . . . . .
C6 C 0.6734(5) -0.1442(4) 0.45209(17) 0.0297(9) Uani 1 1 d . . . . .
H6A H 0.693313 -0.236418 0.474292 0.036 Uiso 1 1 calc R U . . .
C7 C 0.7639(5) -0.0576(4) 0.45500(17) 0.0305(9) Uani 1 1 d . . . . .
H7 H 0.846259 -0.090364 0.479080 0.037 Uiso 1 1 calc R U . . .
C8 C 0.7380(4) 0.0834(4) 0.42232(16) 0.0242(8) Uani 1 1 d . . . . .
C9 C 0.8285(4) 0.1780(4) 0.42273(17) 0.0285(9) Uani 1 1 d . . . . .
H9 H 0.911224 0.151116 0.446629 0.034 Uiso 1 1 calc R U . . .
C10 C 0.7985(4) 0.3089(4) 0.38893(16) 0.0240(8) Uani 1 1 d . . . . .
H10 H 0.861494 0.371359 0.388138 0.029 Uiso 1 1 calc R U . . .
C11 C 0.6732(4) 0.3479(4) 0.35573(16) 0.0206(7) Uani 1 1 d . . . . .
C12 C 0.6295(4) 0.4836(4) 0.31451(16) 0.0196(7) Uani 1 1 d . . . . .
C13 C 0.6148(4) 0.1315(4) 0.38731(15) 0.0199(7) Uani 1 1 d . . . . .
C14 C 0.5189(4) 0.0372(4) 0.38339(16) 0.0213(7) Uani 1 1 d . . . . .
C15 C 0.0031(4) 0.0473(4) 0.24046(17) 0.0232(8) Uani 1 1 d . . . . .
H15A H -0.012092 0.156186 0.233168 0.028 Uiso 1 1 calc R U . . .
H15B H -0.095737 0.042040 0.266444 0.028 Uiso 1 1 calc R U . . .
C16 C 0.0332(4) -0.0359(4) 0.17628(17) 0.0246(8) Uani 1 1 d . . . . .
H16A H 0.043776 -0.143688 0.184082 0.030 Uiso 1 1 calc R U . . .
H16B H -0.060441 0.009540 0.156092 0.030 Uiso 1 1 calc R U . . .
C17 C 0.1701(5) -0.0956(4) 0.06749(17) 0.0283(8) Uani 1 1 d . . . . .
H17A H 0.070492 -0.035716 0.053490 0.034 Uiso 1 1 calc R U . . .
H17B H 0.173984 -0.202673 0.071446 0.034 Uiso 1 1 calc R U . . .
C18 C 0.3087(5) -0.0893(4) 0.01792(18) 0.0310(9) Uani 1 1 d . . . . .
H18A H 0.407969 -0.156276 0.030241 0.037 Uiso 1 1 calc R U . . .
H18B H 0.302182 -0.128124 -0.024059 0.037 Uiso 1 1 calc R U . . .
C19 C 0.3221(4) 0.1155(4) 0.07275(17) 0.0271(8) Uani 1 1 d . . . . .
H19A H 0.329206 0.218945 0.068842 0.033 Uiso 1 1 calc R U . . .
H19B H 0.418808 0.047293 0.086580 0.033 Uiso 1 1 calc R U . . .
C20 C 0.1797(4) 0.1210(4) 0.12220(17) 0.0227(8) Uani 1 1 d . . . . .
H20A H 0.185763 0.163542 0.163497 0.027 Uiso 1 1 calc R U . . .
H20B H 0.082680 0.188050 0.108220 0.027 Uiso 1 1 calc R U . . .
C21 C 0.6784(4) 0.7059(4) 0.26548(17) 0.0220(7) Uani 1 1 d . . . . .
H21A H 0.676117 0.793636 0.291454 0.026 Uiso 1 1 calc R U . . .
H21B H 0.570388 0.726614 0.257427 0.026 Uiso 1 1 calc R U . . .
C22 C 0.7880(4) 0.6971(4) 0.20131(16) 0.0218(7) Uani 1 1 d . . . . .
H22A H 0.786373 0.801249 0.190472 0.026 Uiso 1 1 calc R U . . .
H22B H 0.896949 0.635326 0.205732 0.026 Uiso 1 1 calc R U . . .
C23 C 0.7788(4) 0.4606(4) 0.15303(17) 0.0236(8) Uani 1 1 d . . . . .
H23A H 0.710464 0.442205 0.191729 0.028 Uiso 1 1 calc R U . . .
H23B H 0.889923 0.409843 0.157688 0.028 Uiso 1 1 calc R U . . .
C24 C 0.7493(4) 0.3932(4) 0.09436(17) 0.0264(8) Uani 1 1 d . . . . .
H24A H 0.775604 0.281732 0.098373 0.032 Uiso 1 1 calc R U . . .
H24B H 0.636143 0.438043 0.091897 0.032 Uiso 1 1 calc R U . . .
C25 C 0.7964(4) 0.5823(4) 0.03022(17) 0.0295(9) Uani 1 1 d . . . . .
H25A H 0.682398 0.625290 0.028964 0.035 Uiso 1 1 calc R U . . .
H25B H 0.854839 0.602428 -0.010936 0.035 Uiso 1 1 calc R U . . .
C26 C 0.8304(4) 0.6607(4) 0.08439(16) 0.0246(8) Uani 1 1 d . . . . .
H26A H 0.945173 0.623308 0.084070 0.030 Uiso 1 1 calc R U . . .
H26B H 0.795876 0.772173 0.078586 0.030 Uiso 1 1 calc R U . . .
O21 O 0.4301(3) 0.7490(3) 0.16750(14) 0.0306(6) Uani 1 1 d . . . . .
H21C H 0.402(6) 0.671(6) 0.169(2) 0.058(16) Uiso 1 1 d . . . . .
H21D H 0.352(6) 0.832(6) 0.154(2) 0.070(17) Uiso 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
La1 O1 2.515(2) . ?
La1 O2 2.505(2) . ?
La1 O6 2.669(2) . ?
La1 O5 2.736(2) . ?
La1 O9 2.721(2) . ?
La1 O8 2.671(2) . ?
La1 O12 2.681(2) . ?
La1 O11 2.685(2) . ?
La1 O14 2.664(3) . ?
La1 O15 2.670(3) . ?
La1 N1 2.704(3) . ?
La1 N2 2.719(3) . ?
O1 C2 1.245(4) . ?
O2 C12 1.246(4) . ?
O3 C18 1.416(4) . ?
O3 C19 1.427(4) . ?
O4 C24 1.417(4) . ?
O4 C25 1.427(4) . ?
O6 N7 1.265(4) . ?
O5 N7 1.263(4) . ?
O7 N7 1.236(4) . ?
O9 N8 1.256(4) . ?
O8 N8 1.280(4) . ?
O10 N8 1.228(4) . ?
O12 N9 1.263(4) . ?
O11 N9 1.275(3) . ?
O13 N9 1.232(4) . ?
O14 N10 1.258(4) . ?
O15 N10 1.269(4) . ?
O16 N10 1.226(4) . ?
N1 C1 1.333(4) . ?
N1 C14 1.341(4) . ?
N2 C11 1.337(4) . ?
N2 C13 1.356(4) . ?
N3 H3 0.8800 . ?
N3 C2 1.320(4) . ?
N3 C15 1.473(4) . ?
N4 H4 0.8800 . ?
N4 C12 1.332(4) . ?
N4 C21 1.468(4) . ?
N5 C16 1.475(4) . ?
N5 C17 1.481(4) . ?
N5 C20 1.467(4) . ?
N6 H6 0.98(4) . ?
N6 C22 1.500(4) . ?
N6 C23 1.500(4) . ?
N6 C26 1.501(4) . ?
C1 C2 1.509(5) . ?
C1 C3 1.407(5) . ?
C3 H3A 0.9500 . ?
C3 C4 1.374(5) . ?
C4 H4A 0.9500 . ?
C4 C5 1.412(5) . ?
C5 C6 1.426(5) . ?
C5 C14 1.414(5) . ?
C6 H6A 0.9500 . ?
C6 C7 1.353(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.441(5) . ?
C8 C9 1.406(5) . ?
C8 C13 1.407(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.373(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.397(5) . ?
C11 C12 1.504(5) . ?
C13 C14 1.455(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.518(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.515(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.509(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.527(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.516(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.511(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
O21 H21C 0.85(5) . ?
O21 H21D 0.94(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 La1 O6 66.56(7) . . ?
O1 La1 O5 111.01(7) . . ?
O1 La1 O9 66.95(7) . . ?
O1 La1 O8 109.31(7) . . ?
O1 La1 O12 68.61(7) . . ?
O1 La1 O11 111.50(7) . . ?
O1 La1 O14 74.14(8) . . ?
O1 La1 O15 116.28(8) . . ?
O1 La1 N1 61.16(8) . . ?
O1 La1 N2 120.78(8) . . ?
O2 La1 O1 177.99(8) . . ?
O2 La1 O6 111.85(7) . . ?
O2 La1 O5 67.82(7) . . ?
O2 La1 O9 111.44(7) . . ?
O2 La1 O8 68.75(7) . . ?
O2 La1 O12 111.98(7) . . ?
O2 La1 O11 68.37(7) . . ?
O2 La1 O14 107.87(8) . . ?
O2 La1 O15 65.56(8) . . ?
O2 La1 N1 119.67(8) . . ?
O2 La1 N2 60.32(8) . . ?
O6 La1 O5 47.04(7) . . ?
O6 La1 O9 68.34(7) . . ?
O6 La1 O8 67.67(7) . . ?
O6 La1 O12 124.10(7) . . ?
O6 La1 O11 128.67(7) . . ?
O6 La1 O15 166.74(8) . . ?
O6 La1 N1 67.93(8) . . ?
O6 La1 N2 97.19(8) . . ?
O9 La1 O5 99.11(7) . . ?
O8 La1 O5 64.83(7) . . ?
O8 La1 O9 47.31(7) . . ?
O8 La1 O12 98.62(7) . . ?
O8 La1 O11 65.38(7) . . ?
O8 La1 N1 134.20(8) . . ?
O8 La1 N2 115.73(8) . . ?
O12 La1 O5 162.79(7) . . ?
O12 La1 O9 64.46(7) . . ?
O12 La1 O11 47.77(7) . . ?
O12 La1 N1 115.20(8) . . ?
O12 La1 N2 134.50(8) . . ?
O11 La1 O5 122.26(7) . . ?
O11 La1 O9 65.13(7) . . ?
O11 La1 N1 159.74(8) . . ?
O11 La1 N2 121.03(8) . . ?
O14 La1 O6 126.43(8) . . ?
O14 La1 O5 129.60(8) . . ?
O14 La1 O9 126.12(8) . . ?
O14 La1 O8 163.86(7) . . ?
O14 La1 O12 67.47(8) . . ?
O14 La1 O11 98.55(7) . . ?
O14 La1 O15 47.69(8) . . ?
O14 La1 N1 61.65(8) . . ?
O14 La1 N2 72.99(8) . . ?
O15 La1 O5 124.43(8) . . ?
O15 La1 O9 124.91(8) . . ?
O15 La1 O8 120.42(8) . . ?
O15 La1 O12 66.99(8) . . ?
O15 La1 O11 63.53(8) . . ?
O15 La1 N1 101.49(8) . . ?
O15 La1 N2 70.04(8) . . ?
N1 La1 O5 77.04(8) . . ?
N1 La1 O9 121.58(8) . . ?
N1 La1 N2 60.05(8) . . ?
N2 La1 O5 61.45(7) . . ?
N2 La1 O9 160.32(8) . . ?
C2 O1 La1 122.4(2) . . ?
C12 O2 La1 127.7(2) . . ?
C18 O3 C19 108.8(3) . . ?
C24 O4 C25 109.0(3) . . ?
N7 O6 La1 99.23(18) . . ?
N7 O5 La1 96.08(18) . . ?
N8 O9 La1 96.85(18) . . ?
N8 O8 La1 98.60(18) . . ?
N9 O12 La1 97.51(18) . . ?
N9 O11 La1 97.00(18) . . ?
N10 O14 La1 97.9(2) . . ?
N10 O15 La1 97.31(19) . . ?
C1 N1 La1 118.1(2) . . ?
C1 N1 C14 119.1(3) . . ?
C14 N1 La1 122.2(2) . . ?
C11 N2 La1 119.9(2) . . ?
C11 N2 C13 118.7(3) . . ?
C13 N2 La1 121.4(2) . . ?
C2 N3 H3 118.7 . . ?
C2 N3 C15 122.5(3) . . ?
C15 N3 H3 118.7 . . ?
C12 N4 H4 119.3 . . ?
C12 N4 C21 121.4(3) . . ?
C21 N4 H4 119.3 . . ?
C16 N5 C17 108.6(3) . . ?
C20 N5 C16 112.6(3) . . ?
C20 N5 C17 108.3(3) . . ?
C22 N6 H6 105(2) . . ?
C22 N6 C23 112.1(3) . . ?
C22 N6 C26 110.0(3) . . ?
C23 N6 H6 111(2) . . ?
C23 N6 C26 110.5(3) . . ?
C26 N6 H6 108(2) . . ?
O5 N7 O6 117.2(3) . . ?
O7 N7 O6 121.0(3) . . ?
O7 N7 O5 121.8(3) . . ?
O9 N8 O8 117.2(3) . . ?
O10 N8 O9 121.8(3) . . ?
O10 N8 O8 121.0(3) . . ?
O12 N9 O11 117.7(3) . . ?
O13 N9 O12 121.8(3) . . ?
O13 N9 O11 120.5(3) . . ?
O14 N10 O15 117.1(3) . . ?
O16 N10 O14 121.6(3) . . ?
O16 N10 O15 121.3(3) . . ?
N1 C1 C2 113.0(3) . . ?
N1 C1 C3 122.4(3) . . ?
C3 C1 C2 124.5(3) . . ?
O1 C2 N3 123.0(3) . . ?
O1 C2 C1 117.9(3) . . ?
N3 C2 C1 119.1(3) . . ?
C1 C3 H3A 120.6 . . ?
C4 C3 C1 118.7(3) . . ?
C4 C3 H3A 120.6 . . ?
C3 C4 H4A 120.0 . . ?
C3 C4 C5 120.1(3) . . ?
C5 C4 H4A 120.0 . . ?
C4 C5 C6 123.8(3) . . ?
C4 C5 C14 116.8(3) . . ?
C14 C5 C6 119.4(3) . . ?
C5 C6 H6A 119.3 . . ?
C7 C6 C5 121.4(3) . . ?
C7 C6 H6A 119.3 . . ?
C6 C7 H7 119.3 . . ?
C6 C7 C8 121.3(3) . . ?
C8 C7 H7 119.3 . . ?
C9 C8 C7 124.3(3) . . ?
C9 C8 C13 116.9(3) . . ?
C13 C8 C7 118.8(3) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.7(3) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 120.8 . . ?
C9 C10 C11 118.4(3) . . ?
C11 C10 H10 120.8 . . ?
N2 C11 C10 122.7(3) . . ?
N2 C11 C12 112.5(3) . . ?
C10 C11 C12 124.8(3) . . ?
O2 C12 N4 120.8(3) . . ?
O2 C12 C11 119.3(3) . . ?
N4 C12 C11 119.9(3) . . ?
N2 C13 C8 122.5(3) . . ?
N2 C13 C14 117.7(3) . . ?
C8 C13 C14 119.9(3) . . ?
N1 C14 C5 122.9(3) . . ?
N1 C14 C13 117.9(3) . . ?
C5 C14 C13 119.2(3) . . ?
N3 C15 H15A 108.8 . . ?
N3 C15 H15B 108.8 . . ?
N3 C15 C16 113.7(3) . . ?
H15A C15 H15B 107.7 . . ?
C16 C15 H15A 108.8 . . ?
C16 C15 H15B 108.8 . . ?
N5 C16 C15 115.8(3) . . ?
N5 C16 H16A 108.3 . . ?
N5 C16 H16B 108.3 . . ?
C15 C16 H16A 108.3 . . ?
C15 C16 H16B 108.3 . . ?
H16A C16 H16B 107.4 . . ?
N5 C17 H17A 109.5 . . ?
N5 C17 H17B 109.5 . . ?
N5 C17 C18 110.6(3) . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
O3 C18 C17 111.7(3) . . ?
O3 C18 H18A 109.3 . . ?
O3 C18 H18B 109.3 . . ?
C17 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 107.9 . . ?
O3 C19 H19A 109.6 . . ?
O3 C19 H19B 109.6 . . ?
O3 C19 C20 110.5(3) . . ?
H19A C19 H19B 108.1 . . ?
C20 C19 H19A 109.6 . . ?
C20 C19 H19B 109.6 . . ?
N5 C20 C19 109.6(3) . . ?
N5 C20 H20A 109.7 . . ?
N5 C20 H20B 109.7 . . ?
C19 C20 H20A 109.7 . . ?
C19 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
N4 C21 H21A 108.5 . . ?
N4 C21 H21B 108.5 . . ?
N4 C21 C22 115.3(3) . . ?
H21A C21 H21B 107.5 . . ?
C22 C21 H21A 108.5 . . ?
C22 C21 H21B 108.5 . . ?
N6 C22 C21 113.7(3) . . ?
N6 C22 H22A 108.8 . . ?
N6 C22 H22B 108.8 . . ?
C21 C22 H22A 108.8 . . ?
C21 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
N6 C23 H23A 109.6 . . ?
N6 C23 H23B 109.6 . . ?
N6 C23 C24 110.5(3) . . ?
H23A C23 H23B 108.1 . . ?
C24 C23 H23A 109.6 . . ?
C24 C23 H23B 109.6 . . ?
O4 C24 C23 111.6(3) . . ?
O4 C24 H24A 109.3 . . ?
O4 C24 H24B 109.3 . . ?
C23 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
H24A C24 H24B 108.0 . . ?
O4 C25 H25A 109.3 . . ?
O4 C25 H25B 109.3 . . ?
O4 C25 C26 111.7(3) . . ?
H25A C25 H25B 107.9 . . ?
C26 C25 H25A 109.3 . . ?
C26 C25 H25B 109.3 . . ?
N6 C26 C25 110.0(3) . . ?
N6 C26 H26A 109.7 . . ?
N6 C26 H26B 109.7 . . ?
C25 C26 H26A 109.7 . . ?
C25 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
H21C O21 H21D 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
La1 O1 C2 N3 -145.7(3) . . . . ?
La1 O1 C2 C1 34.1(4) . . . . ?
La1 O2 C12 N4 176.3(2) . . . . ?
La1 O2 C12 C11 -1.3(4) . . . . ?
La1 O6 N7 O5 6.5(3) . . . . ?
La1 O6 N7 O7 -173.7(3) . . . . ?
La1 O5 N7 O6 -6.3(3) . . . . ?
La1 O5 N7 O7 173.9(3) . . . . ?
La1 O9 N8 O8 2.7(3) . . . . ?
La1 O9 N8 O10 -176.7(3) . . . . ?
La1 O8 N8 O9 -2.8(3) . . . . ?
La1 O8 N8 O10 176.6(3) . . . . ?
La1 O12 N9 O11 -0.1(3) . . . . ?
La1 O12 N9 O13 179.0(3) . . . . ?
La1 O11 N9 O12 0.1(3) . . . . ?
La1 O11 N9 O13 -179.0(3) . . . . ?
La1 O14 N10 O15 0.2(3) . . . . ?
La1 O14 N10 O16 -178.8(4) . . . . ?
La1 O15 N10 O14 -0.2(3) . . . . ?
La1 O15 N10 O16 178.8(4) . . . . ?
La1 N1 C1 C2 4.5(3) . . . . ?
La1 N1 C1 C3 -171.6(2) . . . . ?
La1 N1 C14 C5 172.1(2) . . . . ?
La1 N1 C14 C13 -8.5(4) . . . . ?
La1 N2 C11 C10 175.2(2) . . . . ?
La1 N2 C11 C12 -6.5(3) . . . . ?
La1 N2 C13 C8 -174.9(2) . . . . ?
La1 N2 C13 C14 5.5(4) . . . . ?
O3 C19 C20 N5 62.1(4) . . . . ?
O4 C25 C26 N6 -57.9(4) . . . . ?
N1 C1 C2 O1 -24.1(4) . . . . ?
N1 C1 C2 N3 155.7(3) . . . . ?
N1 C1 C3 C4 -0.4(5) . . . . ?
N2 C11 C12 O2 5.3(4) . . . . ?
N2 C11 C12 N4 -172.4(3) . . . . ?
N2 C13 C14 N1 1.9(4) . . . . ?
N2 C13 C14 C5 -178.7(3) . . . . ?
N3 C15 C16 N5 -61.0(4) . . . . ?
N4 C21 C22 N6 87.2(4) . . . . ?
N5 C17 C18 O3 -57.1(4) . . . . ?
N6 C23 C24 O4 57.1(4) . . . . ?
C1 N1 C14 C5 0.4(5) . . . . ?
C1 N1 C14 C13 179.8(3) . . . . ?
C1 C3 C4 C5 -0.6(5) . . . . ?
C2 N3 C15 C16 133.5(3) . . . . ?
C2 C1 C3 C4 -176.0(3) . . . . ?
C3 C1 C2 O1 151.8(3) . . . . ?
C3 C1 C2 N3 -28.3(5) . . . . ?
C3 C4 C5 C6 -178.4(3) . . . . ?
C3 C4 C5 C14 1.4(5) . . . . ?
C4 C5 C6 C7 179.7(3) . . . . ?
C4 C5 C14 N1 -1.3(5) . . . . ?
C4 C5 C14 C13 179.3(3) . . . . ?
C5 C6 C7 C8 0.2(6) . . . . ?
C6 C5 C14 N1 178.5(3) . . . . ?
C6 C5 C14 C13 -0.8(5) . . . . ?
C6 C7 C8 C9 -179.3(4) . . . . ?
C6 C7 C8 C13 0.6(5) . . . . ?
C7 C8 C9 C10 178.3(3) . . . . ?
C7 C8 C13 N2 178.9(3) . . . . ?
C7 C8 C13 C14 -1.5(5) . . . . ?
C8 C9 C10 C11 1.8(5) . . . . ?
C8 C13 C14 N1 -177.8(3) . . . . ?
C8 C13 C14 C5 1.6(5) . . . . ?
C9 C8 C13 N2 -1.3(5) . . . . ?
C9 C8 C13 C14 178.4(3) . . . . ?
C9 C10 C11 N2 0.7(5) . . . . ?
C9 C10 C11 C12 -177.4(3) . . . . ?
C10 C11 C12 O2 -176.4(3) . . . . ?
C10 C11 C12 N4 5.9(5) . . . . ?
C11 N2 C13 C8 3.7(5) . . . . ?
C11 N2 C13 C14 -175.9(3) . . . . ?
C12 N4 C21 C22 -113.8(3) . . . . ?
C13 N2 C11 C10 -3.4(5) . . . . ?
C13 N2 C11 C12 174.9(3) . . . . ?
C13 C8 C9 C10 -1.5(5) . . . . ?
C14 N1 C1 C2 176.5(3) . . . . ?
C14 N1 C1 C3 0.5(5) . . . . ?
C14 C5 C6 C7 -0.1(5) . . . . ?
C15 N3 C2 O1 -2.2(5) . . . . ?
C15 N3 C2 C1 178.0(3) . . . . ?
C16 N5 C17 C18 177.6(3) . . . . ?
C16 N5 C20 C19 -177.6(3) . . . . ?
C17 N5 C16 C15 -170.4(3) . . . . ?
C17 N5 C20 C19 -57.5(4) . . . . ?
C18 O3 C19 C20 -61.8(4) . . . . ?
C19 O3 C18 C17 59.4(4) . . . . ?
C20 N5 C16 C15 -50.5(4) . . . . ?
C20 N5 C17 C18 55.0(4) . . . . ?
C21 N4 C12 O2 5.1(5) . . . . ?
C21 N4 C12 C11 -177.3(3) . . . . ?
C22 N6 C23 C24 -174.3(3) . . . . ?
C22 N6 C26 C25 175.9(3) . . . . ?
C23 N6 C22 C21 -71.1(4) . . . . ?
C23 N6 C26 C25 51.6(4) . . . . ?
C24 O4 C25 C26 62.6(4) . . . . ?
C25 O4 C24 C23 -61.9(4) . . . . ?
C26 N6 C22 C21 165.6(3) . . . . ?
C26 N6 C23 C24 -51.3(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2341
_database_code_depnum_ccdc_archive 'CCDC 2481119'
loop_
_audit_author_name
_audit_author_address
'Paulina Kalle'
;IGIC RAS
Russia
;
_audit_update_record             
;
2025-08-18 deposited with the CCDC.	2025-11-07 downloaded from the CCDC.
;
_audit_creation_date             2025-08-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H35 Eu N9 O14, H2 O, N O3'
_chemical_formula_sum            'C26 H37 Eu N10 O18'
_chemical_formula_weight         929.61
_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                   9.2372(6)
_cell_length_b                   9.2714(5)
_cell_length_c                   21.8651(12)
_cell_angle_alpha                98.190(2)
_cell_angle_beta                 92.689(2)
_cell_angle_gamma                110.491(2)
_cell_volume                     1726.71(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9912
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.339
_cell_measurement_theta_min      2.366
_shelx_estimated_absorpt_T_max   0.945
_shelx_estimated_absorpt_T_min   0.737
_exptl_absorpt_coefficient_mu    1.912
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0865 before and 0.0641 after correction.
The Ratio of minimum to maximum transmission is 0.7452.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            25475
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         1.892
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART Photon II'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_target            Mo
_diffrn_source_type              'fine-focus sealed X-ray tube'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7194
_reflns_number_total             7524
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         4.096
_refine_diff_density_min         -3.716
_refine_diff_density_rms         0.178
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         7524
_refine_ls_number_restraints     106
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0591
_refine_ls_restrained_S_all      1.149
_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)+(0.0265P)²+23.8229P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1389
_refine_special_details          'Refined as a 2-component twin.,Twin'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.9319(10)
 0.0681(10)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
3. Restrained distances
 N6-H6
 0.85 with sigma of 0.02
 O18-N11 \\sim O20-N11 \\sim O19-N11
 with sigma of 0.02
 O16-N10 \\sim O17-N10 \\sim O15-N10
 with sigma of 0.02
4. Rigid body (RIGU) restrains
 C5, C6, C7, C8, C9, C10
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 O18, O19, O20, N11
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O15, O16, O17, N10
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O8, O9, O10, N8
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N6, C23, C26
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: O15(0.5) O16(0.5) O17(0.5) N10(0.5) O18(0.5) O19(0.5) O20(0.5)
 N11(0.5)
6.a Free rotating group:
 O21(H21C,H21D)
6.b Rotating group:
 O14(H14A,H14B)
6.c Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,
 H19B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B),
 C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B)
6.d Aromatic/amide H refined with riding coordinates:
 N3(H3), N4(H4), C3(H3A), C4(H4A), C10(H10), C9(H9), C11(H11), C12(H12)
6.e Fitted hexagon refined as free rotating group:
 C8(C7,C6,C5,C10,C9)
;
_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
Eu1 Eu 0.39356(4) 0.65142(4) 0.28311(2) 0.01115(10) Uani 1 1 d . . . . .
O1 O 0.2529(6) 0.8341(6) 0.2847(2) 0.0152(10) Uani 1 1 d . . . . .
O2 O 0.5584(6) 0.4921(5) 0.2842(2) 0.0121(10) Uani 1 1 d . . . . .
O3 O 0.0652(6) 0.6879(7) 0.0123(3) 0.0227(12) Uani 1 1 d . . . . .
O4 O 0.4278(6) 0.1559(6) 0.0366(2) 0.0205(11) Uani 1 1 d . . . . .
O5 O 0.2429(6) 0.3724(6) 0.2158(2) 0.0196(11) Uani 1 1 d . . . . .
O6 O 0.1670(6) 0.5605(6) 0.1992(2) 0.0181(11) Uani 1 1 d . . . . .
O7 O 0.0675(6) 0.3333(6) 0.1388(3) 0.0234(12) Uani 1 1 d . . . . .
O8 O 0.4899(6) 0.6076(6) 0.1765(2) 0.0183(11) Uani 1 1 d . . . . .
O9 O 0.4606(6) 0.8289(6) 0.1957(2) 0.0179(11) Uani 1 1 d . . . . .
O10 O 0.5426(7) 0.7638(7) 0.1081(3) 0.0296(13) Uani 1 1 d . . . . .
O11 O 0.6877(6) 0.8055(6) 0.2893(3) 0.0185(11) Uani 1 1 d . . . . .
O12 O 0.5673(6) 0.9626(6) 0.3187(3) 0.0183(11) Uani 1 1 d . . . . .
O13 O 0.8162(6) 1.0559(6) 0.3115(3) 0.0243(12) Uani 1 1 d . . . . .
O14 O 0.4716(8) 0.7315(8) 0.3913(3) 0.0404(17) Uani 1 1 d . . . . .
H14A H 0.571651 0.800951 0.399578 0.061 Uiso 1 1 d R U . . .
H14B H 0.476977 0.651664 0.410266 0.061 Uiso 1 1 d R U . . .
N1 N 0.1351(7) 0.5867(8) 0.3372(3) 0.0187(13) Uani 1 1 d . . . . .
N2 N 0.3088(7) 0.4094(7) 0.3428(3) 0.0155(12) Uani 1 1 d . . . . .
N3 N 0.0232(7) 0.8638(8) 0.2705(3) 0.0207(14) Uani 1 1 d . . . . .
H3 H -0.075378 0.829717 0.277099 0.025 Uiso 1 1 calc R U . . .
N4 N 0.6099(8) 0.2754(7) 0.2937(3) 0.0198(13) Uani 1 1 d . . . . .
H4 H 0.581247 0.185700 0.307341 0.024 Uiso 1 1 calc R U . . .
N5 N -0.0165(7) 0.8214(7) 0.1266(3) 0.0181(13) Uani 1 1 d . . . . .
N6 N 0.6538(7) 0.2508(7) 0.1439(3) 0.0154(12) Uani 1 1 d D . . . .
H6 H 0.695(14) 0.350(3) 0.152(6) 0.06(4) Uiso 1 1 d D . . . .
N7 N 0.1571(7) 0.4188(7) 0.1837(3) 0.0170(13) Uani 1 1 d . . . . .
N8 N 0.4993(7) 0.7362(7) 0.1592(3) 0.0146(11) Uani 1 1 d . . . . .
N9 N 0.6930(7) 0.9459(7) 0.3068(3) 0.0148(12) Uani 1 1 d . . . . .
C1 C 0.0501(8) 0.6754(10) 0.3334(4) 0.0206(16) Uani 1 1 d . . . . .
C2 C 0.1156(9) 0.7983(9) 0.2936(3) 0.0197(16) Uani 1 1 d . . . . .
C3 C -0.0809(9) 0.6619(12) 0.3660(4) 0.029(2) Uani 1 1 d . . . . .
H3A H -0.138020 0.728502 0.362609 0.035 Uiso 1 1 calc R U . . .
C4 C -0.1231(9) 0.5476(12) 0.4031(4) 0.031(2) Uani 1 1 d . . . . .
H4A H -0.209879 0.535746 0.426259 0.037 Uiso 1 1 calc R U . . .
C8 C 0.1396(6) 0.2586(6) 0.4108(2) 0.0273(16) Uani 1 1 d G . . . .
C7 C 0.1797(5) 0.3770(6) 0.3753(2) 0.0229(15) Uani 1 1 d G . . . .
C6 C 0.0918(6) 0.4713(5) 0.3733(2) 0.0217(14) Uani 1 1 d G . . . .
C5 C -0.0364(6) 0.4472(6) 0.4068(3) 0.0302(17) Uani 1 1 d G . . . .
C10 C -0.0766(5) 0.3288(7) 0.4424(2) 0.0383(19) Uani 1 1 d G . . . .
H10 H -0.164156 0.312297 0.465284 0.046 Uiso 1 1 calc R U . . .
C9 C 0.0114(7) 0.2345(6) 0.4444(2) 0.0378(19) Uani 1 1 d G . . . .
H9 H -0.016050 0.153521 0.468656 0.045 Uiso 1 1 calc R U . . .
C11 C 0.2326(12) 0.1638(10) 0.4105(4) 0.033(2) Uani 1 1 d . . . . .
H11 H 0.207479 0.080544 0.433675 0.039 Uiso 1 1 calc R U . . .
C12 C 0.3592(11) 0.1934(9) 0.3766(3) 0.0242(18) Uani 1 1 d . . . . .
H12 H 0.421480 0.130593 0.375476 0.029 Uiso 1 1 calc R U . . .
C13 C 0.3930(9) 0.3183(9) 0.3439(3) 0.0173(15) Uani 1 1 d . . . . .
C14 C 0.5283(8) 0.3670(8) 0.3055(3) 0.0151(14) Uani 1 1 d . . . . .
C15 C 0.0792(9) 0.9911(9) 0.2342(4) 0.0213(16) Uani 1 1 d . . . . .
H15A H 0.188837 1.008727 0.227377 0.026 Uiso 1 1 calc R U . . .
H15B H 0.076023 1.088222 0.258613 0.026 Uiso 1 1 calc R U . . .
C16 C -0.0166(10) 0.9581(9) 0.1706(4) 0.0241(17) Uani 1 1 d . . . . .
H16A H -0.125518 0.942955 0.177943 0.029 Uiso 1 1 calc R U . . .
H16B H 0.023620 1.051753 0.150671 0.029 Uiso 1 1 calc R U . . .
C17 C -0.0873(9) 0.8268(9) 0.0657(4) 0.0222(16) Uani 1 1 d . . . . .
H17A H -0.027866 0.926194 0.052010 0.027 Uiso 1 1 calc R U . . .
H17B H -0.195196 0.822257 0.069094 0.027 Uiso 1 1 calc R U . . .
C18 C -0.0875(9) 0.6884(10) 0.0176(4) 0.0246(17) Uani 1 1 d . . . . .
H18A H -0.153030 0.589400 0.030057 0.029 Uiso 1 1 calc R U . . .
H18B H -0.133336 0.694486 -0.023323 0.029 Uiso 1 1 calc R U . . .
C19 C 0.1296(9) 0.6781(9) 0.0720(4) 0.0209(16) Uani 1 1 d . . . . .
H19A H 0.234930 0.674704 0.068839 0.025 Uiso 1 1 calc R U . . .
H19B H 0.063904 0.580600 0.085486 0.025 Uiso 1 1 calc R U . . .
C20 C 0.1385(9) 0.8176(9) 0.1198(4) 0.0205(16) Uani 1 1 d . . . . .
H20A H 0.186337 0.811015 0.160244 0.025 Uiso 1 1 calc R U . . .
H20B H 0.204726 0.915122 0.106473 0.025 Uiso 1 1 calc R U . . .
C21 C 0.7452(9) 0.3178(9) 0.2590(4) 0.0198(16) Uani 1 1 d . . . . .
H21A H 0.836103 0.319228 0.285235 0.024 Uiso 1 1 calc R U . . .
H21B H 0.767240 0.425024 0.250333 0.024 Uiso 1 1 calc R U . . .
C22 C 0.7269(9) 0.2095(9) 0.1983(4) 0.0199(16) Uani 1 1 d . . . . .
H22A H 0.830701 0.209454 0.188897 0.024 Uiso 1 1 calc R U . . .
H22B H 0.662783 0.102106 0.203386 0.024 Uiso 1 1 calc R U . . .
C23 C 0.4827(9) 0.2191(9) 0.1492(3) 0.0174(15) Uani 1 1 d . . . . .
H23A H 0.429837 0.109355 0.154582 0.021 Uiso 1 1 calc R U . . .
H23B H 0.470828 0.287969 0.186038 0.021 Uiso 1 1 calc R U . . .
C24 C 0.4086(9) 0.2486(9) 0.0914(3) 0.0198(16) Uani 1 1 d . . . . .
H24A H 0.296403 0.224248 0.094841 0.024 Uiso 1 1 calc R U . . .
H24B H 0.456162 0.360475 0.088050 0.024 Uiso 1 1 calc R U . . .
C25 C 0.5903(9) 0.1979(10) 0.0299(4) 0.0203(16) Uani 1 1 d . . . . .
H25A H 0.636178 0.310826 0.028000 0.024 Uiso 1 1 calc R U . . .
H25B H 0.604101 0.139206 -0.009493 0.024 Uiso 1 1 calc R U . . .
C26 C 0.6747(9) 0.1623(9) 0.0841(3) 0.0185(15) Uani 1 1 d . . . . .
H26A H 0.632416 0.048782 0.085049 0.022 Uiso 1 1 calc R U . . .
H26B H 0.786710 0.192869 0.078735 0.022 Uiso 1 1 calc R U . . .
O21 O 0.7763(6) 0.5609(6) 0.1629(3) 0.0237(12) Uani 1 1 d G . . . .
H21C H 0.842885 0.644102 0.154792 0.036 Uiso 1 1 d G U . . .
H21D H 0.693684 0.580964 0.165929 0.036 Uiso 1 1 d G U . . .
O15 O 0.495(2) 0.974(2) 0.5210(7) 0.062(5) Uani 0.5 1 d D . P A -2
O16 O 0.2967(18) 1.0421(17) 0.5384(6) 0.047(3) Uani 0.5 1 d D . P A -2
O17 O 0.2886(18) 0.8812(14) 0.4538(6) 0.038(3) Uani 0.5 1 d D . P A -2
N10 N 0.3614(15) 0.9660(17) 0.5041(6) 0.035(3) Uani 0.5 1 d D . P A -2
O18 O 0.6061(17) 0.4250(18) 0.5111(7) 0.036(3) Uani 0.5 1 d D . P B -1
O19 O 0.5939(14) 0.5902(18) 0.4525(6) 0.036(3) Uani 0.5 1 d D . P B -1
O20 O 0.418(3) 0.517(3) 0.5131(11) 0.047(5) Uani 0.5 1 d D . P B -1
N11 N 0.539(2) 0.510(2) 0.4929(8) 0.028(4) Uani 0.5 1 d D . P B -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1 2.467(5) . ?
Eu1 O2 2.466(5) . ?
Eu1 O5 2.645(5) . ?
Eu1 O6 2.534(5) . ?
Eu1 O8 2.564(5) . ?
Eu1 O9 2.652(5) . ?
Eu1 O11 2.576(5) . ?
Eu1 O12 2.740(5) . ?
Eu1 O14 2.372(6) . ?
Eu1 N1 2.631(6) . ?
Eu1 N2 2.655(6) . ?
O1 C2 1.226(9) . ?
O2 C14 1.257(9) . ?
O3 C18 1.422(10) . ?
O3 C19 1.436(9) . ?
O4 C24 1.426(9) . ?
O4 C25 1.434(9) . ?
O5 N7 1.257(8) . ?
O6 N7 1.279(8) . ?
O7 N7 1.232(8) . ?
O8 N8 1.277(8) . ?
O9 N8 1.245(8) . ?
O10 N8 1.235(8) . ?
O11 N9 1.287(8) . ?
O12 N9 1.258(8) . ?
O13 N9 1.222(8) . ?
O14 H14A 0.9142 . ?
O14 H14B 0.9130 . ?
N1 C1 1.328(10) . ?
N1 C6 1.378(7) . ?
N2 C7 1.381(7) . ?
N2 C13 1.336(10) . ?
N3 H3 0.8800 . ?
N3 C2 1.327(10) . ?
N3 C15 1.472(10) . ?
N4 H4 0.8800 . ?
N4 C14 1.327(10) . ?
N4 C21 1.457(10) . ?
N5 C16 1.478(10) . ?
N5 C17 1.472(10) . ?
N5 C20 1.459(9) . ?
N6 H6 0.85(2) . ?
N6 C22 1.501(10) . ?
N6 C23 1.516(10) . ?
N6 C26 1.500(9) . ?
C1 C2 1.508(12) . ?
C1 C3 1.410(11) . ?
C3 H3A 0.9500 . ?
C3 C4 1.386(14) . ?
C4 H4A 0.9500 . ?
C4 C5 1.432(11) . ?
C8 C7 1.3900 . ?
C8 C9 1.3900 . ?
C8 C11 1.427(11) . ?
C7 C6 1.3900 . ?
C6 C5 1.3900 . ?
C5 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C9 1.3900 . ?
C9 H9 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.382(13) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(10) . ?
C13 C14 1.510(10) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.543(12) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.538(11) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.518(11) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.509(11) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.513(10) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.525(11) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
O21 H21C 0.8501 . ?
O21 H21D 0.8498 . ?
O15 N10 1.246(14) . ?
O16 N10 1.266(14) . ?
O17 N10 1.264(13) . ?
O18 N11 1.251(14) . ?
O19 N11 1.248(14) . ?
O20 N11 1.242(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu1 O5 114.39(17) . . ?
O1 Eu1 O6 67.17(17) . . ?
O1 Eu1 O8 110.50(17) . . ?
O1 Eu1 O9 66.26(16) . . ?
O1 Eu1 O11 109.33(16) . . ?
O1 Eu1 O12 63.34(16) . . ?
O1 Eu1 N1 61.85(19) . . ?
O1 Eu1 N2 122.50(19) . . ?
O2 Eu1 O1 174.25(17) . . ?
O2 Eu1 O5 70.91(16) . . ?
O2 Eu1 O6 117.31(17) . . ?
O2 Eu1 O8 69.12(17) . . ?
O2 Eu1 O9 111.16(16) . . ?
O2 Eu1 O11 65.00(16) . . ?
O2 Eu1 O12 110.92(16) . . ?
O2 Eu1 N1 122.30(19) . . ?
O2 Eu1 N2 61.39(18) . . ?
O5 Eu1 O9 101.40(16) . . ?
O5 Eu1 O12 162.99(16) . . ?
O5 Eu1 N2 62.75(17) . . ?
O6 Eu1 O5 49.32(16) . . ?
O6 Eu1 O8 70.35(17) . . ?
O6 Eu1 O9 70.20(17) . . ?
O6 Eu1 O11 135.47(17) . . ?
O6 Eu1 O12 120.92(17) . . ?
O6 Eu1 N1 71.76(18) . . ?
O6 Eu1 N2 99.48(18) . . ?
O8 Eu1 O5 65.46(16) . . ?
O8 Eu1 O9 48.60(16) . . ?
O8 Eu1 O11 70.18(17) . . ?
O8 Eu1 O12 98.87(16) . . ?
O8 Eu1 N1 140.86(18) . . ?
O8 Eu1 N2 116.60(18) . . ?
O9 Eu1 O12 61.84(16) . . ?
O9 Eu1 N2 163.62(17) . . ?
O11 Eu1 O5 125.66(17) . . ?
O11 Eu1 O9 68.55(16) . . ?
O11 Eu1 O12 48.07(15) . . ?
O11 Eu1 N1 148.62(18) . . ?
O11 Eu1 N2 116.15(18) . . ?
O14 Eu1 O1 91.2(2) . . ?
O14 Eu1 O2 86.5(2) . . ?
O14 Eu1 O5 131.5(2) . . ?
O14 Eu1 O6 145.3(2) . . ?
O14 Eu1 O8 144.3(2) . . ?
O14 Eu1 O9 127.0(2) . . ?
O14 Eu1 O11 76.1(2) . . ?
O14 Eu1 O12 65.1(2) . . ?
O14 Eu1 N1 74.2(2) . . ?
O14 Eu1 N2 68.7(2) . . ?
N1 Eu1 O5 82.54(18) . . ?
N1 Eu1 O9 124.06(19) . . ?
N1 Eu1 O12 108.73(18) . . ?
N1 Eu1 N2 60.9(2) . . ?
N2 Eu1 O12 133.66(17) . . ?
C2 O1 Eu1 123.3(5) . . ?
C14 O2 Eu1 126.5(5) . . ?
C18 O3 C19 108.5(6) . . ?
C24 O4 C25 109.1(6) . . ?
N7 O5 Eu1 94.2(4) . . ?
N7 O6 Eu1 99.0(4) . . ?
N8 O8 Eu1 99.0(4) . . ?
N8 O9 Eu1 95.6(4) . . ?
N9 O11 Eu1 100.9(4) . . ?
N9 O12 Eu1 93.8(4) . . ?
Eu1 O14 H14A 112.4 . . ?
Eu1 O14 H14B 112.5 . . ?
H14A O14 H14B 101.4 . . ?
C1 N1 Eu1 119.0(5) . . ?
C1 N1 C6 119.0(6) . . ?
C6 N1 Eu1 121.8(4) . . ?
C7 N2 Eu1 121.2(4) . . ?
C13 N2 Eu1 120.8(5) . . ?
C13 N2 C7 117.9(6) . . ?
C2 N3 H3 118.7 . . ?
C2 N3 C15 122.6(7) . . ?
C15 N3 H3 118.7 . . ?
C14 N4 H4 118.8 . . ?
C14 N4 C21 122.4(6) . . ?
C21 N4 H4 118.8 . . ?
C17 N5 C16 107.8(6) . . ?
C20 N5 C16 113.5(6) . . ?
C20 N5 C17 108.8(6) . . ?
C22 N6 H6 100(9) . . ?
C22 N6 C23 111.1(6) . . ?
C23 N6 H6 103(9) . . ?
C26 N6 H6 121(9) . . ?
C26 N6 C22 110.6(6) . . ?
C26 N6 C23 110.3(6) . . ?
O5 N7 Eu1 61.2(4) . . ?
O5 N7 O6 117.1(6) . . ?
O6 N7 Eu1 56.2(3) . . ?
O7 N7 Eu1 173.5(5) . . ?
O7 N7 O5 122.2(6) . . ?
O7 N7 O6 120.7(6) . . ?
O8 N8 Eu1 56.5(3) . . ?
O9 N8 Eu1 60.3(3) . . ?
O9 N8 O8 116.8(6) . . ?
O10 N8 Eu1 177.0(5) . . ?
O10 N8 O8 120.6(6) . . ?
O10 N8 O9 122.7(6) . . ?
O11 N9 Eu1 54.9(3) . . ?
O12 N9 Eu1 62.2(3) . . ?
O12 N9 O11 117.0(6) . . ?
O13 N9 Eu1 173.9(5) . . ?
O13 N9 O11 120.2(6) . . ?
O13 N9 O12 122.8(6) . . ?
N1 C1 C2 112.2(7) . . ?
N1 C1 C3 123.7(8) . . ?
C3 C1 C2 123.9(8) . . ?
O1 C2 N3 123.1(8) . . ?
O1 C2 C1 118.1(7) . . ?
N3 C2 C1 118.8(7) . . ?
C1 C3 H3A 121.3 . . ?
C4 C3 C1 117.3(9) . . ?
C4 C3 H3A 121.3 . . ?
C3 C4 H4A 119.9 . . ?
C3 C4 C5 120.3(7) . . ?
C5 C4 H4A 119.9 . . ?
C7 C8 C9 120.0 . . ?
C7 C8 C11 117.7(5) . . ?
C9 C8 C11 122.3(5) . . ?
N2 C7 C8 122.4(4) . . ?
N2 C7 C6 117.6(4) . . ?
C8 C7 C6 120.0 . . ?
N1 C6 C7 118.1(4) . . ?
N1 C6 C5 121.9(4) . . ?
C7 C6 C5 120.0 . . ?
C6 C5 C4 117.8(5) . . ?
C6 C5 C10 120.0 . . ?
C10 C5 C4 122.2(5) . . ?
C5 C10 H10 120.0 . . ?
C9 C10 C5 120.0 . . ?
C9 C10 H10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C11 H11 120.1 . . ?
C12 C11 C8 119.9(7) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 120.9 . . ?
C11 C12 C13 118.1(8) . . ?
C13 C12 H12 120.9 . . ?
N2 C13 C12 123.9(7) . . ?
N2 C13 C14 111.6(6) . . ?
C12 C13 C14 124.5(7) . . ?
O2 C14 N4 121.6(7) . . ?
O2 C14 C13 118.9(7) . . ?
N4 C14 C13 119.5(7) . . ?
N3 C15 H15A 108.9 . . ?
N3 C15 H15B 108.9 . . ?
N3 C15 C16 113.5(6) . . ?
H15A C15 H15B 107.7 . . ?
C16 C15 H15A 108.9 . . ?
C16 C15 H15B 108.9 . . ?
N5 C16 C15 115.9(7) . . ?
N5 C16 H16A 108.3 . . ?
N5 C16 H16B 108.3 . . ?
C15 C16 H16A 108.3 . . ?
C15 C16 H16B 108.3 . . ?
H16A C16 H16B 107.4 . . ?
N5 C17 H17A 109.7 . . ?
N5 C17 H17B 109.7 . . ?
N5 C17 C18 110.0(6) . . ?
H17A C17 H17B 108.2 . . ?
C18 C17 H17A 109.7 . . ?
C18 C17 H17B 109.7 . . ?
O3 C18 C17 111.6(6) . . ?
O3 C18 H18A 109.3 . . ?
O3 C18 H18B 109.3 . . ?
C17 C18 H18A 109.3 . . ?
C17 C18 H18B 109.3 . . ?
H18A C18 H18B 108.0 . . ?
O3 C19 H19A 109.5 . . ?
O3 C19 H19B 109.5 . . ?
O3 C19 C20 110.6(6) . . ?
H19A C19 H19B 108.1 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
N5 C20 C19 110.3(6) . . ?
N5 C20 H20A 109.6 . . ?
N5 C20 H20B 109.6 . . ?
C19 C20 H20A 109.6 . . ?
C19 C20 H20B 109.6 . . ?
H20A C20 H20B 108.1 . . ?
N4 C21 H21A 108.7 . . ?
N4 C21 H21B 108.7 . . ?
N4 C21 C22 114.2(6) . . ?
H21A C21 H21B 107.6 . . ?
C22 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
N6 C22 C21 114.6(6) . . ?
N6 C22 H22A 108.6 . . ?
N6 C22 H22B 108.6 . . ?
C21 C22 H22A 108.6 . . ?
C21 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
N6 C23 H23A 109.6 . . ?
N6 C23 H23B 109.6 . . ?
H23A C23 H23B 108.2 . . ?
C24 C23 N6 110.1(6) . . ?
C24 C23 H23A 109.6 . . ?
C24 C23 H23B 109.6 . . ?
O4 C24 C23 111.7(6) . . ?
O4 C24 H24A 109.3 . . ?
O4 C24 H24B 109.3 . . ?
C23 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
H24A C24 H24B 107.9 . . ?
O4 C25 H25A 109.4 . . ?
O4 C25 H25B 109.4 . . ?
O4 C25 C26 111.0(6) . . ?
H25A C25 H25B 108.0 . . ?
C26 C25 H25A 109.4 . . ?
C26 C25 H25B 109.4 . . ?
N6 C26 C25 109.6(6) . . ?
N6 C26 H26A 109.7 . . ?
N6 C26 H26B 109.7 . . ?
C25 C26 H26A 109.7 . . ?
C25 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
H21C O21 H21D 104.6 . . ?
O15 N10 O16 119.6(15) . . ?
O15 N10 O17 120.9(15) . . ?
O17 N10 O16 119.5(14) . . ?
O19 N11 O18 119.7(13) . . ?
O20 N11 O18 122.6(14) . . ?
O20 N11 O19 117.7(16) . . ?

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
Eu1 O1 C2 N3 -151.2(6) . . . . ?
Eu1 O1 C2 C1 29.6(9) . . . . ?
Eu1 O2 C14 N4 167.3(5) . . . . ?
Eu1 O2 C14 C13 -10.9(9) . . . . ?
Eu1 O5 N7 O6 -6.0(6) . . . . ?
Eu1 O5 N7 O7 173.5(6) . . . . ?
Eu1 O6 N7 O5 6.3(6) . . . . ?
Eu1 O6 N7 O7 -173.2(5) . . . . ?
Eu1 O8 N8 O9 -0.9(6) . . . . ?
Eu1 O8 N8 O10 -179.7(6) . . . . ?
Eu1 O9 N8 O8 0.9(6) . . . . ?
Eu1 O9 N8 O10 179.7(6) . . . . ?
Eu1 O11 N9 O12 4.4(6) . . . . ?
Eu1 O11 N9 O13 -175.7(5) . . . . ?
Eu1 O12 N9 O11 -4.1(6) . . . . ?
Eu1 O12 N9 O13 176.0(6) . . . . ?
Eu1 N1 C1 C2 3.5(8) . . . . ?
Eu1 N1 C1 C3 -173.0(6) . . . . ?
Eu1 N1 C6 C7 -6.9(6) . . . . ?
Eu1 N1 C6 C5 173.5(3) . . . . ?
Eu1 N2 C7 C8 -174.9(3) . . . . ?
Eu1 N2 C7 C6 2.9(6) . . . . ?
Eu1 N2 C13 C12 177.1(6) . . . . ?
Eu1 N2 C13 C14 -3.0(8) . . . . ?
O3 C19 C20 N5 61.2(8) . . . . ?
O4 C25 C26 N6 -59.0(8) . . . . ?
N1 C1 C2 O1 -20.5(10) . . . . ?
N1 C1 C2 N3 160.2(7) . . . . ?
N1 C1 C3 C4 -0.9(12) . . . . ?
N1 C6 C5 C4 -0.4(6) . . . . ?
N1 C6 C5 C10 179.6(5) . . . . ?
N2 C7 C6 N1 2.5(6) . . . . ?
N2 C7 C6 C5 -177.9(5) . . . . ?
N2 C13 C14 O2 8.5(9) . . . . ?
N2 C13 C14 N4 -169.7(6) . . . . ?
N3 C15 C16 N5 -62.1(9) . . . . ?
N4 C21 C22 N6 87.3(8) . . . . ?
N5 C17 C18 O3 -57.8(8) . . . . ?
N6 C23 C24 O4 57.2(8) . . . . ?
C1 N1 C6 C7 178.3(5) . . . . ?
C1 N1 C6 C5 -1.3(8) . . . . ?
C1 C3 C4 C5 -0.9(11) . . . . ?
C2 N3 C15 C16 126.9(8) . . . . ?
C2 C1 C3 C4 -177.0(7) . . . . ?
C3 C1 C2 O1 155.9(7) . . . . ?
C3 C1 C2 N3 -23.3(11) . . . . ?
C3 C4 C5 C6 1.4(9) . . . . ?
C3 C4 C5 C10 -178.5(6) . . . . ?
C4 C5 C10 C9 180.0(6) . . . . ?
C8 C7 C6 N1 -179.6(5) . . . . ?
C8 C7 C6 C5 0.0 . . . . ?
C8 C11 C12 C13 0.8(12) . . . . ?
C7 N2 C13 C12 -0.7(11) . . . . ?
C7 N2 C13 C14 179.1(6) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C7 C8 C11 C12 1.2(10) . . . . ?
C7 C6 C5 C4 -180.0(6) . . . . ?
C7 C6 C5 C10 0.0 . . . . ?
C6 N1 C1 C2 178.5(6) . . . . ?
C6 N1 C1 C3 2.0(11) . . . . ?
C6 C5 C10 C9 0.0 . . . . ?
C5 C10 C9 C8 0.0 . . . . ?
C9 C8 C7 N2 177.7(5) . . . . ?
C9 C8 C7 C6 0.0 . . . . ?
C9 C8 C11 C12 -179.7(6) . . . . ?
C11 C8 C7 N2 -3.1(7) . . . . ?
C11 C8 C7 C6 179.2(6) . . . . ?
C11 C8 C9 C10 -179.1(6) . . . . ?
C11 C12 C13 N2 -1.1(12) . . . . ?
C11 C12 C13 C14 179.1(7) . . . . ?
C12 C13 C14 O2 -171.6(7) . . . . ?
C12 C13 C14 N4 10.1(11) . . . . ?
C13 N2 C7 C8 2.9(8) . . . . ?
C13 N2 C7 C6 -179.3(5) . . . . ?
C14 N4 C21 C22 -116.6(8) . . . . ?
C15 N3 C2 O1 -2.9(11) . . . . ?
C15 N3 C2 C1 176.3(6) . . . . ?
C16 N5 C17 C18 179.0(6) . . . . ?
C16 N5 C20 C19 -177.6(6) . . . . ?
C17 N5 C16 C15 -169.3(6) . . . . ?
C17 N5 C20 C19 -57.7(8) . . . . ?
C18 O3 C19 C20 -60.7(8) . . . . ?
C19 O3 C18 C17 59.3(8) . . . . ?
C20 N5 C16 C15 -48.8(9) . . . . ?
C20 N5 C17 C18 55.6(8) . . . . ?
C21 N4 C14 O2 4.1(11) . . . . ?
C21 N4 C14 C13 -177.7(6) . . . . ?
C22 N6 C23 C24 -175.2(6) . . . . ?
C22 N6 C26 C25 176.3(6) . . . . ?
C23 N6 C22 C21 -70.6(8) . . . . ?
C23 N6 C26 C25 52.9(8) . . . . ?
C24 O4 C25 C26 63.0(8) . . . . ?
C25 O4 C24 C23 -62.3(8) . . . . ?
C26 N6 C22 C21 166.5(6) . . . . ?
C26 N6 C23 C24 -52.2(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9319(10)
2 0.0681(10)

####################################################################### 
# 
# 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_kd9
_database_code_depnum_ccdc_archive 'CCDC 2481120'
loop_
_audit_author_name
_audit_author_address
'Paulina Kalle'
;IGIC RAS
Russia
;
_audit_update_record             
;
2025-08-18 deposited with the CCDC.	2025-11-07 downloaded from the CCDC.
;
_audit_creation_date             2025-07-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2018/3
loop_
_audit_author_email
''
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H40 Er N7 O10, 2(H2 O), 4(N O3)'
_chemical_formula_sum            'C26 H44 Er N11 O24'
_chemical_formula_weight         1061.98
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.3427(15)
_cell_length_b                   7.2948(4)
_cell_length_c                   36.3733(17)
_cell_angle_alpha                90
_cell_angle_beta                 91.742(2)
_cell_angle_gamma                90
_cell_volume                     7782.1(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9961
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      25.524
_cell_measurement_theta_min      2.600
_shelx_estimated_absorpt_T_max   0.978
_shelx_estimated_absorpt_T_min   0.472
_exptl_absorpt_coefficient_mu    2.264
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6133
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1406 before and 0.0544 after correction.
The Ratio of minimum to maximum transmission is 0.8230.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             4296
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_unetI/netI     0.0502
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_number            30311
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.562
_diffrn_reflns_theta_min         2.241
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_target            Mo
_diffrn_source_type              'fine-focus sealed X-ray tube'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6364
_reflns_number_total             7262
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.485
_refine_diff_density_min         -1.471
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         7262
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0437
_refine_ls_restrained_S_all      1.073
_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)+(0.0114P)²+86.6431P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0807
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 Er1-H5A \\sim Er1-H5B
 with sigma of 0.02
 Er1-H4A \\sim Er1-H4B
 with sigma of 0.02
3.a Riding coordinates:
 O11(H11A,H11B)
3.b Free rotating group:
 O4(H4A,H4B), O5(H5A,H5B), O9(H9A,H9B)
3.c Rotating group:
 O3(H3A,H3B)
3.d Ternary CH refined with riding coordinates:
 N5(H5), N6(H6)
3.e Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,
 H19B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B),
 C24(H24A,H24B), C25(H25A,H25B), C26(H26A,H26B)
3.f Aromatic/amide H refined with riding coordinates:
 N3(H3), N4(H4), C3(H3C), C4(H4C), C9(H9), C10(H10), C13(H13), C14(H14)
;
_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
Er1 Er 0.35556(2) 0.47017(3) 0.59240(2) 0.01190(7) Uani 1 1 d D . . . .
O1 O 0.28517(11) 0.3183(5) 0.59060(9) 0.0150(8) Uani 1 1 d . . . . .
O2 O 0.43333(10) 0.5339(5) 0.60190(8) 0.0146(7) Uani 1 1 d . . . . .
O3 O 0.37821(12) 0.2325(5) 0.55293(9) 0.0172(8) Uani 1 1 d . . . . .
H3A H 0.407288 0.212935 0.556236 0.026 Uiso 1 1 d R U . . .
H3B H 0.375171 0.269062 0.530215 0.026 Uiso 1 1 d R U . . .
O4 O 0.37949(12) 0.2157(5) 0.62745(9) 0.0176(8) Uani 1 1 d G . . . .
H4A H 0.388388 0.112032 0.618226 0.026 Uiso 1 1 d DG U . . .
H4B H 0.368171 0.186254 0.648484 0.026 Uiso 1 1 d DG U . . .
O5 O 0.34462(12) 0.5218(6) 0.65476(9) 0.0238(9) Uani 1 1 d G . . . .
H5A H 0.318984 0.554134 0.664335 0.036 Uiso 1 1 d DG U . . .
H5B H 0.359675 0.467901 0.672704 0.036 Uiso 1 1 d DG U . . .
O6 O 0.29249(12) 0.6858(5) 0.60104(10) 0.0207(8) Uani 1 1 d . . . . .
O7 O 0.35957(12) 0.8061(5) 0.60472(10) 0.0246(9) Uani 1 1 d . . . . .
O8 O 0.30128(13) 0.9576(6) 0.62481(11) 0.0313(10) Uani 1 1 d . . . . .
O10 O 0.21181(13) 0.1959(5) 0.74884(9) 0.0231(9) Uani 1 1 d . . . . .
O24 O 0.44721(12) 0.9390(5) 0.72182(10) 0.0251(9) Uani 1 1 d . . . . .
N1 N 0.30831(12) 0.5087(5) 0.53420(10) 0.0102(8) Uani 1 1 d . . . . .
N2 N 0.39370(13) 0.6204(6) 0.53971(10) 0.0112(9) Uani 1 1 d . . . . .
N3 N 0.21182(13) 0.2900(5) 0.57216(10) 0.0115(9) Uani 1 1 d . . . . .
H3 H 0.190233 0.314092 0.555544 0.014 Uiso 1 1 calc R U . . .
N4 N 0.50334(14) 0.6181(6) 0.58470(11) 0.0162(9) Uani 1 1 d . . . . .
H4 H 0.519726 0.670009 0.567714 0.019 Uiso 1 1 calc R U . . .
N5 N 0.18932(14) 0.2232(6) 0.67204(11) 0.0136(9) Uani 1 1 d . . . . .
H5 H 0.169625 0.112401 0.668407 0.016 Uiso 1 1 calc R U . . .
N6 N 0.49885(14) 0.8032(6) 0.66118(11) 0.0159(9) Uani 1 1 d . . . . .
H6 H 0.480284 0.855923 0.640228 0.019 Uiso 1 1 calc R U . . .
N7 N 0.31741(15) 0.8224(6) 0.61056(12) 0.0202(10) Uani 1 1 d . . . . .
C1 C 0.25400(16) 0.3480(6) 0.56741(13) 0.0113(10) Uani 1 1 d . . . . .
C2 C 0.26524(16) 0.4485(7) 0.53292(12) 0.0118(10) Uani 1 1 d . . . . .
C3 C 0.23688(15) 0.4738(7) 0.50184(12) 0.0123(10) Uani 1 1 d . . . . .
H3C H 0.206405 0.429743 0.501569 0.015 Uiso 1 1 calc R U . . .
C4 C 0.25318(16) 0.5626(6) 0.47162(13) 0.0126(10) Uani 1 1 d . . . . .
H4C H 0.234027 0.579453 0.450366 0.015 Uiso 1 1 calc R U . . .
C5 C 0.29841(17) 0.6287(6) 0.47220(13) 0.0120(10) Uani 1 1 d . . . . .
C6 C 0.32443(16) 0.5973(6) 0.50469(13) 0.0112(10) Uani 1 1 d . . . . .
C7 C 0.37081(16) 0.6581(7) 0.50795(13) 0.0125(10) Uani 1 1 d . . . . .
C8 C 0.39059(17) 0.7476(7) 0.47774(13) 0.0135(11) Uani 1 1 d . . . . .
C9 C 0.43696(17) 0.7961(7) 0.48182(14) 0.0170(11) Uani 1 1 d . . . . .
H9 H 0.451827 0.857766 0.462547 0.020 Uiso 1 1 calc R U . . .
C10 C 0.46052(17) 0.7532(7) 0.51402(14) 0.0181(11) Uani 1 1 d . . . . .
H10 H 0.491844 0.784385 0.517015 0.022 Uiso 1 1 calc R U . . .
C11 C 0.43809(17) 0.6634(7) 0.54236(13) 0.0147(11) Uani 1 1 d . . . . .
C12 C 0.45895(16) 0.6017(7) 0.57874(13) 0.0137(11) Uani 1 1 d . . . . .
C13 C 0.36309(17) 0.7781(7) 0.44498(13) 0.0160(11) Uani 1 1 d . . . . .
H13 H 0.375989 0.839843 0.424786 0.019 Uiso 1 1 calc R U . . .
C14 C 0.31905(17) 0.7209(7) 0.44217(13) 0.0141(11) Uani 1 1 d . . . . .
H14 H 0.301774 0.742207 0.420072 0.017 Uiso 1 1 calc R U . . .
C15 C 0.20134(16) 0.1860(7) 0.60509(13) 0.0126(10) Uani 1 1 d . . . . .
H15A H 0.227375 0.105949 0.612220 0.015 Uiso 1 1 calc R U . . .
H15B H 0.174263 0.107764 0.600240 0.015 Uiso 1 1 calc R U . . .
C16 C 0.19201(18) 0.3204(7) 0.63595(13) 0.0168(11) Uani 1 1 d . . . . .
H16A H 0.216656 0.413029 0.637456 0.020 Uiso 1 1 calc R U . . .
H16B H 0.162920 0.385060 0.630515 0.020 Uiso 1 1 calc R U . . .
C17 C 0.16786(18) 0.3444(7) 0.70001(13) 0.0172(11) Uani 1 1 d . . . . .
H17A H 0.136434 0.376257 0.691628 0.021 Uiso 1 1 calc R U . . .
H17B H 0.185546 0.459414 0.702665 0.021 Uiso 1 1 calc R U . . .
C18 C 0.16668(18) 0.2474(8) 0.73680(14) 0.0224(12) Uani 1 1 d . . . . .
H18A H 0.153240 0.329536 0.755222 0.027 Uiso 1 1 calc R U . . .
H18B H 0.147293 0.136640 0.734511 0.027 Uiso 1 1 calc R U . . .
C19 C 0.23570(17) 0.1608(8) 0.68633(14) 0.0181(11) Uani 1 1 d . . . . .
H19A H 0.248801 0.072645 0.668853 0.022 Uiso 1 1 calc R U . . .
H19B H 0.256488 0.267362 0.688573 0.022 Uiso 1 1 calc R U . . .
C20 C 0.23118(19) 0.0711(7) 0.72335(13) 0.0213(12) Uani 1 1 d . . . . .
H20A H 0.211535 -0.038805 0.720799 0.026 Uiso 1 1 calc R U . . .
H20B H 0.261594 0.031161 0.732783 0.026 Uiso 1 1 calc R U . . .
C21 C 0.52643(17) 0.5529(7) 0.61862(13) 0.0173(11) Uani 1 1 d . . . . .
H21A H 0.554659 0.487767 0.612119 0.021 Uiso 1 1 calc R U . . .
H21B H 0.506385 0.463756 0.630771 0.021 Uiso 1 1 calc R U . . .
C22 C 0.53866(16) 0.7051(7) 0.64569(13) 0.0159(11) Uani 1 1 d . . . . .
H22A H 0.557118 0.652044 0.666291 0.019 Uiso 1 1 calc R U . . .
H22B H 0.557964 0.795756 0.633197 0.019 Uiso 1 1 calc R U . . .
C23 C 0.51514(17) 0.9598(8) 0.68554(14) 0.0209(12) Uani 1 1 d . . . . .
H23A H 0.533829 1.045247 0.671152 0.025 Uiso 1 1 calc R U . . .
H23B H 0.534437 0.911311 0.706110 0.025 Uiso 1 1 calc R U . . .
C24 C 0.47480(19) 1.0615(8) 0.70068(15) 0.0251(13) Uani 1 1 d . . . . .
H24A H 0.485815 1.163712 0.716501 0.030 Uiso 1 1 calc R U . . .
H24B H 0.456139 1.113979 0.680131 0.030 Uiso 1 1 calc R U . . .
C25 C 0.46836(17) 0.6820(7) 0.68310(14) 0.0181(11) Uani 1 1 d . . . . .
H25A H 0.486316 0.623431 0.703364 0.022 Uiso 1 1 calc R U . . .
H25B H 0.455402 0.584075 0.667104 0.022 Uiso 1 1 calc R U . . .
C26 C 0.43014(18) 0.7946(8) 0.69878(15) 0.0225(12) Uani 1 1 d . . . . .
H26A H 0.411385 0.847660 0.678341 0.027 Uiso 1 1 calc R U . . .
H26B H 0.410305 0.713789 0.713190 0.027 Uiso 1 1 calc R U . . .
O9 O 0.26385(13) 0.6197(5) 0.68089(10) 0.0256(9) Uani 1 1 d G . . . .
H9A H 0.244708 0.693185 0.669633 0.038 Uiso 1 1 d G U . . .
H9B H 0.273685 0.670323 0.701289 0.038 Uiso 1 1 d G U . . .
O11 O 0.44492(13) 0.4145(6) 0.77973(11) 0.0383(11) Uani 1 1 d . . . . .
H11A H 0.424839 0.412541 0.761631 0.057 Uiso 1 1 d R U . . .
H11B H 0.431109 0.428321 0.800381 0.057 Uiso 1 1 d R U . . .
O12 O 0.45054(11) -0.0168(5) 0.60346(9) 0.0192(8) Uani 1 1 d . . . . .
O13 O 0.46901(12) 0.1732(5) 0.56026(10) 0.0232(9) Uani 1 1 d . . . . .
O14 O 0.52072(12) 0.0740(6) 0.59897(10) 0.0292(10) Uani 1 1 d . . . . .
N8 N 0.48060(14) 0.0784(6) 0.58760(12) 0.0183(10) Uani 1 1 d . . . . .
O15 O 0.38512(13) 0.3609(5) 0.71496(10) 0.0243(9) Uani 1 1 d . . . . .
O16 O 0.34358(13) 0.1265(5) 0.69787(10) 0.0261(9) Uani 1 1 d . . . . .
O17 O 0.35026(15) 0.1992(6) 0.75574(10) 0.0335(10) Uani 1 1 d . . . . .
N9 N 0.35946(15) 0.2264(6) 0.72323(12) 0.0225(10) Uani 1 1 d . . . . .
O18 O 0.18430(12) 0.8001(5) 0.64931(10) 0.0237(9) Uani 1 1 d . . . . .
O19 O 0.11795(13) 0.6646(5) 0.64930(11) 0.0278(9) Uani 1 1 d . . . . .
O20 O 0.12380(12) 0.9529(5) 0.66347(10) 0.0230(8) Uani 1 1 d . . . . .
N10 N 0.14177(15) 0.8020(6) 0.65395(11) 0.0188(10) Uani 1 1 d . . . . .
O21 O 0.36206(11) 0.2220(5) 0.47873(9) 0.0175(8) Uani 1 1 d . . . . .
O22 O 0.43283(12) 0.3069(5) 0.47593(10) 0.0252(9) Uani 1 1 d . . . . .
O23 O 0.39575(12) 0.2247(6) 0.42622(10) 0.0261(9) Uani 1 1 d . . . . .
N11 N 0.39730(14) 0.2497(6) 0.45997(11) 0.0159(9) 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
Er1 O1 2.343(3) . ?
Er1 O2 2.344(3) . ?
Er1 O3 2.359(3) . ?
Er1 O4 2.347(3) . ?
Er1 O5 2.331(3) . ?
Er1 O6 2.456(4) . ?
Er1 O7 2.493(4) . ?
Er1 N1 2.511(4) . ?
Er1 N2 2.501(4) . ?
O1 C1 1.244(6) . ?
O2 C12 1.248(6) . ?
O3 H3A 0.8699 . ?
O3 H3B 0.8703 . ?
O4 H4A 0.8705 . ?
O4 H4B 0.8704 . ?
O5 H5A 0.8710 . ?
O5 H5B 0.8707 . ?
O6 N7 1.278(6) . ?
O7 N7 1.267(5) . ?
O8 N7 1.216(6) . ?
O10 C18 1.432(6) . ?
O10 C20 1.430(6) . ?
O24 C24 1.444(6) . ?
O24 C26 1.427(6) . ?
N1 C2 1.337(6) . ?
N1 C6 1.351(6) . ?
N2 C7 1.347(6) . ?
N2 C11 1.340(6) . ?
N3 H3 0.8800 . ?
N3 C1 1.324(6) . ?
N3 C15 1.458(6) . ?
N4 H4 0.8800 . ?
N4 C12 1.319(6) . ?
N4 C21 1.468(6) . ?
N5 H5 1.0000 . ?
N5 C16 1.496(6) . ?
N5 C17 1.501(6) . ?
N5 C19 1.512(6) . ?
N6 H6 1.0000 . ?
N6 C22 1.495(6) . ?
N6 C23 1.514(7) . ?
N6 C25 1.504(6) . ?
C1 C2 1.498(7) . ?
C2 C3 1.396(6) . ?
C3 H3C 0.9500 . ?
C3 C4 1.374(7) . ?
C4 H4C 0.9500 . ?
C4 C5 1.412(7) . ?
C5 C6 1.406(7) . ?
C5 C14 1.433(7) . ?
C6 C7 1.433(7) . ?
C7 C8 1.417(7) . ?
C8 C9 1.409(7) . ?
C8 C13 1.436(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.378(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.402(7) . ?
C11 C12 1.510(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.359(7) . ?
C14 H14 0.9500 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.521(7) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.515(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.507(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.520(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.515(7) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.516(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
O9 H9A 0.8697 . ?
O9 H9B 0.8702 . ?
O11 H11A 0.8702 . ?
O11 H11B 0.8701 . ?
O12 N8 1.275(5) . ?
O13 N8 1.250(5) . ?
O14 N8 1.236(5) . ?
O15 N9 1.278(6) . ?
O16 N9 1.255(6) . ?
O17 N9 1.237(6) . ?
O18 N10 1.265(5) . ?
O19 N10 1.231(6) . ?
O20 N10 1.273(5) . ?
O21 N11 1.272(5) . ?
O22 N11 1.250(5) . ?
O23 N11 1.240(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
O1 Er1 O2 162.04(12) . . ?
O1 Er1 O3 84.25(12) . . ?
O1 Er1 O4 83.69(12) . . ?
O1 Er1 O6 68.87(12) . . ?
O1 Er1 O7 120.44(12) . . ?
O1 Er1 N1 64.26(12) . . ?
O1 Er1 N2 126.90(12) . . ?
O2 Er1 O3 86.81(12) . . ?
O2 Er1 O4 78.63(12) . . ?
O2 Er1 O6 126.02(12) . . ?
O2 Er1 O7 74.82(12) . . ?
O2 Er1 N1 127.74(12) . . ?
O2 Er1 N2 64.52(11) . . ?
O3 Er1 O6 140.87(12) . . ?
O3 Er1 O7 144.98(12) . . ?
O3 Er1 N1 74.21(12) . . ?
O3 Er1 N2 73.42(12) . . ?
O4 Er1 O3 70.38(12) . . ?
O4 Er1 O6 130.62(12) . . ?
O4 Er1 O7 131.91(13) . . ?
O4 Er1 N1 134.02(13) . . ?
O4 Er1 N2 128.98(12) . . ?
O5 Er1 O1 87.49(13) . . ?
O5 Er1 O2 89.24(12) . . ?
O5 Er1 O3 139.50(13) . . ?
O5 Er1 O4 69.34(13) . . ?
O5 Er1 O6 69.23(12) . . ?
O5 Er1 O7 70.94(13) . . ?
O5 Er1 N1 135.52(12) . . ?
O5 Er1 N2 138.84(14) . . ?
O6 Er1 O7 51.63(12) . . ?
O6 Er1 N1 68.73(12) . . ?
O6 Er1 N2 100.02(13) . . ?
O7 Er1 N1 93.63(12) . . ?
O7 Er1 N2 71.79(12) . . ?
N2 Er1 N1 63.47(12) . . ?
C1 O1 Er1 124.5(3) . . ?
C12 O2 Er1 125.6(3) . . ?
Er1 O3 H3A 109.3 . . ?
Er1 O3 H3B 109.3 . . ?
H3A O3 H3B 104.7 . . ?
Er1 O4 H4A 124.5 . . ?
Er1 O4 H4B 123.8 . . ?
H4A O4 H4B 104.6 . . ?
Er1 O5 H5A 125.4 . . ?
Er1 O5 H5B 125.1 . . ?
H5A O5 H5B 104.3 . . ?
N7 O6 Er1 96.1(3) . . ?
N7 O7 Er1 94.7(3) . . ?
C20 O10 C18 110.5(4) . . ?
C26 O24 C24 109.7(4) . . ?
C2 N1 Er1 119.3(3) . . ?
C2 N1 C6 118.9(4) . . ?
C6 N1 Er1 121.7(3) . . ?
C7 N2 Er1 121.6(3) . . ?
C11 N2 Er1 120.3(3) . . ?
C11 N2 C7 118.2(4) . . ?
C1 N3 H3 120.2 . . ?
C1 N3 C15 119.6(4) . . ?
C15 N3 H3 120.2 . . ?
C12 N4 H4 118.8 . . ?
C12 N4 C21 122.5(4) . . ?
C21 N4 H4 118.8 . . ?
C16 N5 H5 108.2 . . ?
C16 N5 C17 110.5(4) . . ?
C16 N5 C19 111.9(4) . . ?
C17 N5 H5 108.2 . . ?
C17 N5 C19 109.6(4) . . ?
C19 N5 H5 108.2 . . ?
C22 N6 H6 108.1 . . ?
C22 N6 C23 110.2(4) . . ?
C22 N6 C25 113.7(4) . . ?
C23 N6 H6 108.1 . . ?
C25 N6 H6 108.1 . . ?
C25 N6 C23 108.4(4) . . ?
O6 N7 Er1 57.8(2) . . ?
O7 N7 Er1 59.4(2) . . ?
O7 N7 O6 115.8(4) . . ?
O8 N7 Er1 167.8(3) . . ?
O8 N7 O6 121.4(4) . . ?
O8 N7 O7 122.8(5) . . ?
O1 C1 N3 121.8(4) . . ?
O1 C1 C2 118.5(4) . . ?
N3 C1 C2 119.7(4) . . ?
N1 C2 C1 111.3(4) . . ?
N1 C2 C3 121.6(4) . . ?
C3 C2 C1 127.0(4) . . ?
C2 C3 H3C 120.1 . . ?
C4 C3 C2 119.8(4) . . ?
C4 C3 H3C 120.1 . . ?
C3 C4 H4C 120.0 . . ?
C3 C4 C5 119.9(4) . . ?
C5 C4 H4C 120.0 . . ?
C4 C5 C14 124.6(4) . . ?
C6 C5 C4 116.3(4) . . ?
C6 C5 C14 119.1(4) . . ?
N1 C6 C5 123.5(4) . . ?
N1 C6 C7 115.9(4) . . ?
C5 C6 C7 120.6(4) . . ?
N2 C7 C6 117.1(4) . . ?
N2 C7 C8 123.6(4) . . ?
C8 C7 C6 119.3(4) . . ?
C7 C8 C13 118.8(5) . . ?
C9 C8 C7 116.8(5) . . ?
C9 C8 C13 124.4(5) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 C8 119.3(5) . . ?
C10 C9 H9 120.3 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.8(5) . . ?
C11 C10 H10 120.1 . . ?
N2 C11 C10 122.2(5) . . ?
N2 C11 C12 111.1(4) . . ?
C10 C11 C12 126.6(5) . . ?
O2 C12 N4 122.5(5) . . ?
O2 C12 C11 118.2(4) . . ?
N4 C12 C11 119.3(4) . . ?
C8 C13 H13 119.2 . . ?
C14 C13 C8 121.6(5) . . ?
C14 C13 H13 119.2 . . ?
C5 C14 H14 119.7 . . ?
C13 C14 C5 120.7(5) . . ?
C13 C14 H14 119.7 . . ?
N3 C15 H15A 110.0 . . ?
N3 C15 H15B 110.0 . . ?
N3 C15 C16 108.6(4) . . ?
H15A C15 H15B 108.4 . . ?
C16 C15 H15A 110.0 . . ?
C16 C15 H15B 110.0 . . ?
N5 C16 C15 110.9(4) . . ?
N5 C16 H16A 109.4 . . ?
N5 C16 H16B 109.4 . . ?
C15 C16 H16A 109.4 . . ?
C15 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
N5 C17 H17A 109.6 . . ?
N5 C17 H17B 109.6 . . ?
N5 C17 C18 110.2(4) . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 H17A 109.6 . . ?
C18 C17 H17B 109.6 . . ?
O10 C18 C17 110.3(4) . . ?
O10 C18 H18A 109.6 . . ?
O10 C18 H18B 109.6 . . ?
C17 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
N5 C19 H19A 109.8 . . ?
N5 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
C20 C19 N5 109.6(4) . . ?
C20 C19 H19A 109.8 . . ?
C20 C19 H19B 109.8 . . ?
O10 C20 C19 110.5(4) . . ?
O10 C20 H20A 109.5 . . ?
O10 C20 H20B 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
N4 C21 H21A 108.8 . . ?
N4 C21 H21B 108.8 . . ?
N4 C21 C22 113.7(4) . . ?
H21A C21 H21B 107.7 . . ?
C22 C21 H21A 108.8 . . ?
C22 C21 H21B 108.8 . . ?
N6 C22 C21 115.0(4) . . ?
N6 C22 H22A 108.5 . . ?
N6 C22 H22B 108.5 . . ?
C21 C22 H22A 108.5 . . ?
C21 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
N6 C23 H23A 109.6 . . ?
N6 C23 H23B 109.6 . . ?
N6 C23 C24 110.2(4) . . ?
H23A C23 H23B 108.1 . . ?
C24 C23 H23A 109.6 . . ?
C24 C23 H23B 109.6 . . ?
O24 C24 C23 110.3(4) . . ?
O24 C24 H24A 109.6 . . ?
O24 C24 H24B 109.6 . . ?
C23 C24 H24A 109.6 . . ?
C23 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
N6 C25 H25A 109.7 . . ?
N6 C25 H25B 109.7 . . ?
N6 C25 C26 109.9(4) . . ?
H25A C25 H25B 108.2 . . ?
C26 C25 H25A 109.7 . . ?
C26 C25 H25B 109.7 . . ?
O24 C26 C25 111.7(4) . . ?
O24 C26 H26A 109.3 . . ?
O24 C26 H26B 109.3 . . ?
C25 C26 H26A 109.3 . . ?
C25 C26 H26B 109.3 . . ?
H26A C26 H26B 107.9 . . ?
H9A O9 H9B 109.4 . . ?
H11A O11 H11B 109.4 . . ?
O13 N8 O12 119.1(4) . . ?
O14 N8 O12 120.0(4) . . ?
O14 N8 O13 120.9(4) . . ?
O16 N9 O15 118.8(4) . . ?
O17 N9 O15 119.7(5) . . ?
O17 N9 O16 121.5(5) . . ?
O18 N10 O20 117.7(4) . . ?
O19 N10 O18 122.1(5) . . ?
O19 N10 O20 120.2(4) . . ?
O22 N11 O21 119.0(4) . . ?
O23 N11 O21 120.1(4) . . ?
O23 N11 O22 120.9(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
Er1 O1 C1 N3 -164.7(3) . . . . ?
Er1 O1 C1 C2 16.7(6) . . . . ?
Er1 O2 C12 N4 -173.4(3) . . . . ?
Er1 O2 C12 C11 5.4(6) . . . . ?
Er1 O6 N7 O7 13.3(4) . . . . ?
Er1 O6 N7 O8 -165.7(4) . . . . ?
Er1 O7 N7 O6 -13.0(4) . . . . ?
Er1 O7 N7 O8 165.9(4) . . . . ?
Er1 N1 C2 C1 -5.5(5) . . . . ?
Er1 N1 C2 C3 177.1(3) . . . . ?
Er1 N1 C6 C5 -177.1(3) . . . . ?
Er1 N1 C6 C7 3.4(6) . . . . ?
Er1 N2 C7 C6 -4.1(6) . . . . ?
Er1 N2 C7 C8 178.2(4) . . . . ?
Er1 N2 C11 C10 -177.8(4) . . . . ?
Er1 N2 C11 C12 2.6(5) . . . . ?
O1 C1 C2 N1 -6.2(6) . . . . ?
O1 C1 C2 C3 170.9(5) . . . . ?
N1 C2 C3 C4 0.0(7) . . . . ?
N1 C6 C7 N2 0.5(6) . . . . ?
N1 C6 C7 C8 178.3(4) . . . . ?
N2 C7 C8 C9 0.8(7) . . . . ?
N2 C7 C8 C13 179.0(5) . . . . ?
N2 C11 C12 O2 -4.9(6) . . . . ?
N2 C11 C12 N4 173.9(4) . . . . ?
N3 C1 C2 N1 175.1(4) . . . . ?
N3 C1 C2 C3 -7.7(7) . . . . ?
N3 C15 C16 N5 -169.8(4) . . . . ?
N4 C21 C22 N6 64.8(6) . . . . ?
N5 C17 C18 O10 57.7(6) . . . . ?
N5 C19 C20 O10 -58.7(6) . . . . ?
N6 C23 C24 O24 59.4(5) . . . . ?
N6 C25 C26 O24 -58.8(6) . . . . ?
C1 N3 C15 C16 84.7(5) . . . . ?
C1 C2 C3 C4 -176.9(4) . . . . ?
C2 N1 C6 C5 -0.6(7) . . . . ?
C2 N1 C6 C7 180.0(4) . . . . ?
C2 C3 C4 C5 -0.3(7) . . . . ?
C3 C4 C5 C6 0.2(7) . . . . ?
C3 C4 C5 C14 179.2(5) . . . . ?
C4 C5 C6 N1 0.2(7) . . . . ?
C4 C5 C6 C7 179.7(4) . . . . ?
C4 C5 C14 C13 -179.2(5) . . . . ?
C5 C6 C7 N2 -179.0(4) . . . . ?
C5 C6 C7 C8 -1.2(7) . . . . ?
C6 N1 C2 C1 177.8(4) . . . . ?
C6 N1 C2 C3 0.5(7) . . . . ?
C6 C5 C14 C13 -0.3(7) . . . . ?
C6 C7 C8 C9 -176.9(4) . . . . ?
C6 C7 C8 C13 1.4(7) . . . . ?
C7 N2 C11 C10 3.0(7) . . . . ?
C7 N2 C11 C12 -176.6(4) . . . . ?
C7 C8 C9 C10 0.8(7) . . . . ?
C7 C8 C13 C14 -1.0(7) . . . . ?
C8 C9 C10 C11 -0.5(8) . . . . ?
C8 C13 C14 C5 0.5(7) . . . . ?
C9 C8 C13 C14 177.0(5) . . . . ?
C9 C10 C11 N2 -1.5(8) . . . . ?
C9 C10 C11 C12 178.1(5) . . . . ?
C10 C11 C12 O2 175.5(5) . . . . ?
C10 C11 C12 N4 -5.7(8) . . . . ?
C11 N2 C7 C6 175.0(4) . . . . ?
C11 N2 C7 C8 -2.7(7) . . . . ?
C12 N4 C21 C22 -102.7(6) . . . . ?
C13 C8 C9 C10 -177.3(5) . . . . ?
C14 C5 C6 N1 -178.8(4) . . . . ?
C14 C5 C6 C7 0.6(7) . . . . ?
C15 N3 C1 O1 -1.0(7) . . . . ?
C15 N3 C1 C2 177.7(4) . . . . ?
C16 N5 C17 C18 -178.1(4) . . . . ?
C16 N5 C19 C20 177.7(4) . . . . ?
C17 N5 C16 C15 -164.6(4) . . . . ?
C17 N5 C19 C20 54.7(5) . . . . ?
C18 O10 C20 C19 62.5(5) . . . . ?
C19 N5 C16 C15 72.9(5) . . . . ?
C19 N5 C17 C18 -54.3(5) . . . . ?
C20 O10 C18 C17 -61.6(5) . . . . ?
C21 N4 C12 O2 1.9(8) . . . . ?
C21 N4 C12 C11 -176.9(4) . . . . ?
C22 N6 C23 C24 179.0(4) . . . . ?
C22 N6 C25 C26 177.9(4) . . . . ?
C23 N6 C22 C21 -176.0(4) . . . . ?
C23 N6 C25 C26 55.0(5) . . . . ?
C24 O24 C26 C25 61.1(5) . . . . ?
C25 N6 C22 C21 62.1(5) . . . . ?
C25 N6 C23 C24 -56.0(5) . . . . ?
C26 O24 C24 C23 -61.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
