# 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_km780-4
_database_code_depnum_ccdc_archive 'CCDC 2336761'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2024-03-01 deposited with the CCDC.	2024-06-14 downloaded from the CCDC.
;
_audit_creation_date             2024-03-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C18 H28 Eu0.5 N13 O14 Tb0.5), 5(N O3), 6(H2 O)'
_chemical_formula_sum            'C36 H68 Eu N31 O49 Tb'
_chemical_formula_weight         2030.09
_chemical_melting_point          ?
_chemical_oxdiff_formula         TbEuC36H36N24O12(H2O)10(NO3)6
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'
Tb Tb -0.1723 4.1537 '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                   13.4041(2)
_cell_length_b                   14.4617(2)
_cell_length_c                   18.2115(3)
_cell_angle_alpha                73.8223(13)
_cell_angle_beta                 87.3313(13)
_cell_angle_gamma                87.7248(12)
_cell_volume                     3385.45(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    16934
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.9160
_cell_measurement_theta_min      2.2430
_cell_oxdiff_angle_alpha         73.8223(13)
_cell_oxdiff_angle_beta          87.3313(13)
_cell_oxdiff_angle_gamma         87.7248(12)
_cell_oxdiff_length_a            13.4041(2)
_cell_oxdiff_length_b            14.4617(2)
_cell_oxdiff_length_c            18.2115(3)
_cell_oxdiff_measurement_reflns_used 16934
_cell_oxdiff_volume              3385.45(9)
_shelx_estimated_absorpt_T_max   0.802
_shelx_estimated_absorpt_T_min   0.667
_exptl_absorpt_coefficient_mu    2.095
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.123a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.991
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2042
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.832
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            32288
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.832
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.100
_diffrn_reflns_theta_min         1.882
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6168
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.832
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -43.00  31.00   0.50   17.50    --  -10.11  77.00  30.00  148
  2  ω    -10.00  25.00   0.50   17.50    --  -10.11 -99.00 -90.00   70
  3  ω    -33.00  43.00   0.50   17.50    --   10.74 -77.00 150.00  152
  4  ω      2.00  28.00   0.50   17.50    --   10.74  77.00  60.00   52
  5  ω    -13.00  85.00   0.50   17.50    --   10.74  38.00 -30.00  196
  6  ω    -27.00   2.00   0.50   17.50    --   10.74  19.00 -30.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Xcalibur, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0052050000
_diffrn_orient_matrix_UB_12      -0.0431162000
_diffrn_orient_matrix_UB_13      -0.0113281000
_diffrn_orient_matrix_UB_21      -0.0342295000
_diffrn_orient_matrix_UB_22      0.0189042000
_diffrn_orient_matrix_UB_23      -0.0293902000
_diffrn_orient_matrix_UB_31      0.0401207000
_diffrn_orient_matrix_UB_32      0.0198420000
_diffrn_orient_matrix_UB_33      -0.0255879000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_source_voltage           50.0
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13176
_reflns_number_total             15136
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.63
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.41.123a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.161
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1209
_refine_ls_number_reflns         15136
_refine_ls_number_restraints     329
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0263
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0217P)²+3.5158P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0567
_refine_ls_wR_factor_ref         0.0603
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Shared sites
{Eu2, Tb2}
{Eu1, Tb1}
3. Restrained distances
 H3WB-O61_$1
 2.1 with sigma of 0.04
 N7-O71N \\sim N7-O72N \\sim N7-O73N \\sim N7A-O71A \\sim N7A-O72A \\sim
N7A-O73A \\sim N8-O81N \\sim N8-
 O82N \\sim N8-O83N \\sim N8A-O81A \\sim N8A-O82A \\sim N8A-O83A
 with sigma of 0.01
 O71N-O72N \\sim O72N-O73N \\sim O73N-O71N \\sim O81N-O82N \\sim O82N-O83N
\\sim O83N-O81N
 with sigma of 0.01
4. Restrained planarity
 N7A, O71A, O72A, O73A
 with sigma of 0.03
5. Uiso/Uaniso restraints and constraints
N7 \\sim O71N \\sim O72N \\sim O73N \\sim N7A \\sim O71A \\sim O72A \\sim O73A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N8 \\sim O81N \\sim O82N \\sim O83N \\sim N8A \\sim O81A \\sim O82A \\sim O83A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N4 \\sim O41N \\sim O42N \\sim O43N: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 2A
Uanis(Eu2) = Uanis(Tb2)
Uanis(Eu1) = Uanis(Tb1)
6. Others
 Fixed Sof: Eu1(0.5) Eu2(0.5) N7(0.25) O71N(0.25) O72N(0.25) O73N(0.25)
 N7A(0.25) O71A(0.25) O72A(0.25) O73A(0.25) N8(0.25) O81N(0.25) O82N(0.25)
 O83N(0.25) N8A(0.25) O81A(0.25) O82A(0.25) O83A(0.25) Tb2(0.5) Tb1(0.5)
7.a Free rotating group:
 O11M(H11A,H11B), O13M(H13A,H13B), O14M(H14A,H14B), O21M(H21A,H21B), O25M(H25C,
 H25D), O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB),
 O5W(H5WA,H5WB), O6W(H6WA,H6WB)
7.b Rotating group:
 O12M(H12A,H12B), O15M(H15A,H15B), O22M(H22A,H22B), O23M(H23A,H23B), O24M(H24A,
 H24B)
7.c Ternary CH refined with riding coordinates:
 C13(H13), C14(H14), C23(H23), C24(H24), C33(H33), C34(H34), C43(H43),
 C44(H44), C53(H53), C54(H54), C63(H63), C64(H64)
7.d Secondary CH2 refined with riding coordinates:
 C15(H15C,H15D), C16(H16A,H16B), C25(H25A,H25B), C26(H26A,H26B), C35(H35A,
 H35B), C36(H36A,H36B), C45(H45A,H45B), C46(H46A,H46B), C55(H55A,H55B),
 C56(H56A,H56B), C65(H65A,H65B), C66(H66A,H66B)
;
_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 0.95215(2) 0.91771(2) 0.22471(2) 0.01234(4) Uani 0.5 1 d . . P A 3
O11M O 0.78704(15) 0.84046(14) 0.24423(11) 0.0230(4) Uani 1 1 d G . . . .
H11A H 0.7295 0.8670 0.2513 0.034 Uiso 1 1 d G U . A .
H11B H 0.7807 0.7800 0.2687 0.034 Uiso 1 1 d G U . A .
O12M O 0.99034(15) 0.75972(13) 0.21139(10) 0.0188(4) Uani 1 1 d . . . . .
H12A H 0.9378 0.7243 0.2250 0.028 Uiso 1 1 d R U . A .
H12B H 1.0010 0.7629 0.1632 0.028 Uiso 1 1 d R U . . .
O13M O 1.08656(16) 0.92596(16) 0.13024(11) 0.0259(5) Uani 1 1 d G . . . .
H13A H 1.0840 0.9072 0.0890 0.039 Uiso 1 1 d G U . A .
H13B H 1.1496 0.9346 0.1345 0.039 Uiso 1 1 d G U . A .
O14M O 1.00490(16) 1.08324(14) 0.18840(11) 0.0213(4) Uani 1 1 d G . . . .
H14A H 1.0452 1.1080 0.2135 0.032 Uiso 1 1 d G U . A .
H14B H 1.0012 1.1254 0.1439 0.032 Uiso 1 1 d G U . A .
O15M O 0.87431(17) 0.99661(14) 0.31159(12) 0.0300(5) Uani 1 1 d . . . . .
H15A H 0.8520 1.0533 0.2865 0.045 Uiso 1 1 d R U . A .
H15B H 0.8211 0.9660 0.3328 0.045 Uiso 1 1 d R U . . .
N1 N 0.81886(18) 0.97441(16) 0.09721(13) 0.0193(5) Uani 1 1 d . . . . .
O11N O 0.82201(15) 1.02004(13) 0.14718(11) 0.0213(4) Uani 1 1 d . . . . .
O12N O 0.88617(15) 0.91069(14) 0.09832(11) 0.0223(4) Uani 1 1 d . . . . .
O13N O 0.75211(17) 0.99036(15) 0.05104(12) 0.0304(5) Uani 1 1 d . . . . .
O11 O 1.10435(14) 0.91591(13) 0.28600(10) 0.0169(4) Uani 1 1 d . . . . .
O12 O 1.28997(15) 0.83118(14) 0.59533(10) 0.0201(4) Uani 1 1 d . . . . .
C11 C 1.1715(2) 0.88452(18) 0.33106(14) 0.0136(5) Uani 1 1 d . . . . .
C12 C 1.2874(2) 0.83172(18) 0.52844(14) 0.0143(5) Uani 1 1 d . . . . .
C13 C 1.3174(2) 0.87791(18) 0.39597(14) 0.0135(5) Uani 1 1 d . . . . .
H13 H 1.3837 0.8768 0.3686 0.016 Uiso 1 1 calc R U . . .
C14 C 1.27078(19) 0.77731(18) 0.42002(14) 0.0135(5) Uani 1 1 d . . . . .
H14 H 1.3185 0.7265 0.4108 0.016 Uiso 1 1 calc R U . . .
N11 N 1.24420(16) 0.93793(15) 0.34635(11) 0.0131(4) Uani 1 1 d . . . . .
N12 N 1.18600(17) 0.79108(15) 0.37197(12) 0.0138(5) Uani 1 1 d . . . . .
N13 N 1.24679(17) 0.76254(15) 0.50128(12) 0.0143(5) Uani 1 1 d . . . . .
N14 N 1.32691(17) 0.90009(15) 0.46726(12) 0.0142(5) Uani 1 1 d . . . . .
C15 C 1.1202(2) 0.71480(18) 0.37032(14) 0.0138(5) Uani 1 1 d . . . . .
H15C H 1.0911 0.7299 0.3192 0.017 Uiso 1 1 calc R U . . .
H15D H 1.1599 0.6539 0.3779 0.017 Uiso 1 1 calc R U . . .
C16 C 1.20992(19) 0.67356(19) 0.55190(14) 0.0150(5) Uani 1 1 d . . . . .
H16A H 1.2344 0.6657 0.6038 0.018 Uiso 1 1 calc R U . . .
H16B H 1.2375 0.6189 0.5338 0.018 Uiso 1 1 calc R U . . .
O21 O 0.92705(14) 0.80507(13) 0.35338(10) 0.0177(4) Uani 1 1 d . . . . .
O22 O 1.07637(14) 0.68586(14) 0.67870(10) 0.0190(4) Uani 1 1 d . . . . .
C21 C 0.9508(2) 0.74779(18) 0.41403(14) 0.0128(5) Uani 1 1 d . . . . .
C22 C 1.0449(2) 0.67339(18) 0.61989(14) 0.0133(5) Uani 1 1 d . . . . .
C23 C 1.0449(2) 0.63602(18) 0.50377(14) 0.0132(5) Uani 1 1 d . . . . .
H23 H 1.0665 0.5693 0.5029 0.016 Uiso 1 1 calc R U . . .
C24 C 0.9361(2) 0.63978(18) 0.53586(14) 0.0140(5) Uani 1 1 d . . . . .
H24 H 0.9019 0.5777 0.5419 0.017 Uiso 1 1 calc R U . . .
N21 N 1.04027(17) 0.70079(15) 0.42753(12) 0.0139(5) Uani 1 1 d . . . . .
N22 N 0.88946(16) 0.71901(15) 0.47774(12) 0.0139(5) Uani 1 1 d . . . . .
N23 N 0.94833(17) 0.65792(15) 0.60838(12) 0.0141(5) Uani 1 1 d . . . . .
N24 N 1.10174(17) 0.66999(15) 0.55636(12) 0.0144(5) Uani 1 1 d . . . . .
C25 C 0.78199(19) 0.73727(19) 0.47478(14) 0.0146(5) Uani 1 1 d . . . . .
H25A H 0.7641 0.7643 0.4207 0.018 Uiso 1 1 calc R U . . .
H25B H 0.7479 0.6753 0.4949 0.018 Uiso 1 1 calc R U . . .
C26 C 0.8667(2) 0.66311(18) 0.66199(14) 0.0139(5) Uani 1 1 d . . . . .
H26A H 0.8930 0.6496 0.7139 0.017 Uiso 1 1 calc R U . . .
H26B H 0.8185 0.6127 0.6627 0.017 Uiso 1 1 calc R U . . .
O31 O 0.71491(14) 0.93520(13) 0.41549(10) 0.0184(4) Uani 1 1 d . . . . .
O32 O 0.89146(15) 0.82114(13) 0.72735(11) 0.0200(4) Uani 1 1 d . . . . .
C31 C 0.71066(19) 0.89355(19) 0.48444(14) 0.0145(5) Uani 1 1 d . . . . .
C32 C 0.8265(2) 0.82317(19) 0.68209(14) 0.0152(5) Uani 1 1 d . . . . .
C33 C 0.7257(2) 0.77345(18) 0.59981(14) 0.0133(5) Uani 1 1 d . . . . .
H33 H 0.6800 0.7178 0.6159 0.016 Uiso 1 1 calc R U . . .
C34 C 0.6780(2) 0.86534(18) 0.61612(14) 0.0140(5) Uani 1 1 d . . . . .
H34 H 0.6119 0.8524 0.6443 0.017 Uiso 1 1 calc R U . . .
N31 N 0.74542(17) 0.80262(15) 0.51771(12) 0.0145(5) Uani 1 1 d . . . . .
N32 N 0.66805(17) 0.93041(15) 0.54018(12) 0.0152(5) Uani 1 1 d . . . . .
N33 N 0.75160(17) 0.89184(15) 0.66192(12) 0.0147(5) Uani 1 1 d . . . . .
N34 N 0.81494(16) 0.75624(15) 0.64330(12) 0.0137(4) Uani 1 1 d . . . . .
C35 C 0.6146(2) 1.02256(18) 0.52514(15) 0.0159(5) Uani 1 1 d . . . . .
H35A H 0.5899 1.0393 0.4725 0.019 Uiso 1 1 calc R U . . .
H35B H 0.5557 1.0161 0.5609 0.019 Uiso 1 1 calc R U . . .
C36 C 0.7336(2) 0.96563(18) 0.70100(14) 0.0153(5) Uani 1 1 d . . . . .
H36A H 0.7750 0.9504 0.7467 0.018 Uiso 1 1 calc R U . . .
H36B H 0.6627 0.9645 0.7189 0.018 Uiso 1 1 calc R U . . .
Eu2 Eu 0.53515(2) 0.42735(2) 0.71546(2) 0.01252(4) Uani 0.5 1 d . . P B 1
O21M O 0.40498(16) 0.43439(17) 0.62668(12) 0.0284(5) Uani 1 1 d G . . . .
H21A H 0.4129 0.4157 0.5853 0.043 Uiso 1 1 d G U . B .
H21B H 0.3406 0.4411 0.6326 0.043 Uiso 1 1 d G U . B .
O22M O 0.50883(15) 0.26868(13) 0.70409(11) 0.0206(4) Uani 1 1 d . . . . .
H22A H 0.5075 0.2706 0.6558 0.031 Uiso 1 1 d R U . B .
H22B H 0.5603 0.2316 0.7209 0.031 Uiso 1 1 d R U . . .
O23M O 0.70211(14) 0.34394(14) 0.72768(10) 0.0191(4) Uani 1 1 d . . . . .
H23A H 0.7425 0.3744 0.7485 0.029 Uiso 1 1 d R U . B .
H23B H 0.6974 0.2872 0.7602 0.029 Uiso 1 1 d R U . . .
O24M O 0.60483(15) 0.49441(14) 0.80639(11) 0.0224(4) Uani 1 1 d . . . . .
H24A H 0.6325 0.5486 0.7827 0.034 Uiso 1 1 d R U . B .
H24B H 0.6540 0.4576 0.8283 0.034 Uiso 1 1 d R U . . .
O25M O 0.48205(16) 0.59416(13) 0.68076(11) 0.0242(5) Uani 1 1 d G . . . .
H25C H 0.4546 0.6263 0.7105 0.036 Uiso 1 1 d G U . B .
H25D H 0.4946 0.6374 0.6377 0.036 Uiso 1 1 d G U . B .
N2 N 0.67648(17) 0.48556(15) 0.58675(12) 0.0166(5) Uani 1 1 d . . . . .
O21N O 0.67252(15) 0.52792(13) 0.63920(10) 0.0188(4) Uani 1 1 d . . . . .
O22N O 0.60709(14) 0.42886(13) 0.58684(10) 0.0175(4) Uani 1 1 d . . . . .
O23N O 0.74588(15) 0.49795(14) 0.53886(11) 0.0255(5) Uani 1 1 d . . . . .
O41 O 0.55227(14) 0.30780(13) 0.84035(10) 0.0170(4) Uani 1 1 d . . . . .
O42 O 0.38801(15) 0.18574(14) 1.17095(10) 0.0209(4) Uani 1 1 d . . . . .
C41 C 0.5246(2) 0.24872(18) 0.90033(14) 0.0133(5) Uani 1 1 d . . . . .
C42 C 0.4200(2) 0.17651(18) 1.10926(15) 0.0157(6) Uani 1 1 d . . . . .
C43 C 0.5310(2) 0.13637(19) 1.01977(14) 0.0153(5) Uani 1 1 d . . . . .
H43 H 0.5606 0.0700 1.0272 0.018 Uiso 1 1 calc R U . . .
C44 C 0.4230(2) 0.14424(18) 0.99103(14) 0.0152(5) Uani 1 1 d . . . . .
H44 H 0.4001 0.0808 0.9871 0.018 Uiso 1 1 calc R U . . .
N41 N 0.58392(17) 0.20672(16) 0.95894(12) 0.0155(5) Uani 1 1 d . . . . .
N42 N 0.43130(17) 0.21389(15) 0.91671(12) 0.0154(5) Uani 1 1 d . . . . .
N43 N 0.36519(17) 0.17662(16) 1.04845(12) 0.0163(5) Uani 1 1 d . . . . .
N44 N 0.51855(17) 0.16098(16) 1.09112(12) 0.0163(5) Uani 1 1 d . . . . .
C45 C 0.3526(2) 0.23814(19) 0.86328(15) 0.0157(5) Uani 1 1 d . . . . .
H45A H 0.3093 0.1820 0.8716 0.019 Uiso 1 1 calc R U . . .
H45B H 0.3823 0.2515 0.8107 0.019 Uiso 1 1 calc R U . . .
C46 C 0.2580(2) 0.19384(19) 1.04686(15) 0.0183(6) Uani 1 1 d . . . . .
H46A H 0.2308 0.1835 1.0999 0.022 Uiso 1 1 calc R U . . .
H46B H 0.2276 0.1465 1.0251 0.022 Uiso 1 1 calc R U . . .
O51 O 0.38407(14) 0.43621(13) 0.78390(10) 0.0177(4) Uani 1 1 d . . . . .
O52 O 0.19378(15) 0.35293(14) 1.10398(10) 0.0201(4) Uani 1 1 d . . . . .
C51 C 0.3154(2) 0.41212(19) 0.83232(14) 0.0142(5) Uani 1 1 d . . . . .
C52 C 0.1962(2) 0.36003(19) 1.03529(15) 0.0158(6) Uani 1 1 d . . . . .
C53 C 0.2061(2) 0.31537(19) 0.92188(14) 0.0157(5) Uani 1 1 d . . . . .
H53 H 0.1536 0.2734 0.9122 0.019 Uiso 1 1 calc R U . . .
C54 C 0.1694(2) 0.42251(18) 0.90448(14) 0.0149(5) Uani 1 1 d . . . . .
H54 H 0.1036 0.4335 0.8793 0.018 Uiso 1 1 calc R U . . .
N51 N 0.29188(17) 0.32054(15) 0.86950(12) 0.0147(5) Uani 1 1 d . . . . .
N52 N 0.24960(17) 0.47406(15) 0.85379(12) 0.0140(5) Uani 1 1 d . . . . .
N53 N 0.16214(17) 0.43752(16) 0.97978(12) 0.0163(5) Uani 1 1 d . . . . .
N54 N 0.22987(17) 0.29035(16) 1.00219(12) 0.0161(5) Uani 1 1 d . . . . .
C55 C 0.2423(2) 0.57460(19) 0.80952(14) 0.0163(6) Uani 1 1 d . . . . .
H55A H 0.2850 0.5838 0.7623 0.020 Uiso 1 1 calc R U . . .
H55B H 0.1725 0.5905 0.7941 0.020 Uiso 1 1 calc R U . . .
C56 C 0.1231(2) 0.52559(19) 0.99542(15) 0.0157(5) Uani 1 1 d . . . . .
H56A H 0.0631 0.5480 0.9650 0.019 Uiso 1 1 calc R U . . .
H56B H 0.1018 0.5109 1.0501 0.019 Uiso 1 1 calc R U . . .
O61 O 0.41002(15) 0.70357(14) 0.77436(11) 0.0222(4) Uani 1 1 d . . . . .
O62 O 0.23671(14) 0.59009(13) 1.10189(10) 0.0172(4) Uani 1 1 d . . . . .
C61 C 0.3475(2) 0.70368(19) 0.82581(14) 0.0162(6) Uani 1 1 d . . . . .
C62 C 0.2362(2) 0.63290(19) 1.03330(14) 0.0147(5) Uani 1 1 d . . . . .
C63 C 0.2024(2) 0.67100(18) 0.90351(14) 0.0138(5) Uani 1 1 d . . . . .
H63 H 0.1359 0.6909 0.8806 0.017 Uiso 1 1 calc R U . . .
C64 C 0.2552(2) 0.75647(19) 0.91942(14) 0.0148(5) Uani 1 1 d . . . . .
H64 H 0.2110 0.8157 0.9094 0.018 Uiso 1 1 calc R U . . .
N61 N 0.27223(17) 0.64002(16) 0.85103(12) 0.0162(5) Uani 1 1 d . . . . .
N62 N 0.34128(17) 0.76918(16) 0.86738(12) 0.0157(5) Uani 1 1 d . . . . .
N63 N 0.27767(17) 0.72006(15) 0.99994(12) 0.0151(5) Uani 1 1 d . . . . .
N64 N 0.19303(17) 0.60260(15) 0.97847(12) 0.0150(5) Uani 1 1 d . . . . .
C65 C 0.4048(2) 0.85116(19) 0.85396(15) 0.0180(6) Uani 1 1 d . . . . .
H65A H 0.4368 0.8632 0.8022 0.022 Uiso 1 1 calc R U . . .
H65B H 0.3629 0.9087 0.8551 0.022 Uiso 1 1 calc R U . . .
C66 C 0.3089(2) 0.78148(19) 1.04429(14) 0.0154(5) Uani 1 1 d . . . . .
H66A H 0.2864 0.7541 1.0983 0.019 Uiso 1 1 calc R U . . .
H66B H 0.2757 0.8456 1.0255 0.019 Uiso 1 1 calc R U . . .
N3 N 1.03287(17) 0.78637(17) 0.00768(12) 0.0185(5) Uani 1 1 d . . . . .
O31N O 1.07191(17) 0.86537(15) 0.00012(11) 0.0286(5) Uani 1 1 d . . . . .
O32N O 1.03010(16) 0.72445(15) 0.07167(11) 0.0250(5) Uani 1 1 d . . . . .
O33N O 0.99774(17) 0.76763(15) -0.04853(11) 0.0293(5) Uani 1 1 d . . . . .
N4 N 0.8696(2) 0.57801(18) 0.33031(14) 0.0273(6) Uani 1 1 d . U . . .
O41N O 0.8088(2) 0.5467(2) 0.38214(16) 0.0684(10) Uani 1 1 d . U . . .
O42N O 0.84385(19) 0.63426(17) 0.26858(13) 0.0401(6) Uani 1 1 d . U . . .
O43N O 0.96004(18) 0.55559(17) 0.34106(14) 0.0412(6) Uani 1 1 d . U . . .
N5 N 0.46970(17) 0.27659(17) 0.50833(13) 0.0188(5) Uani 1 1 d . . . . .
O51N O 0.44166(17) 0.36183(15) 0.50018(11) 0.0278(5) Uani 1 1 d . . . . .
O52N O 0.47038(17) 0.21793(14) 0.57368(11) 0.0267(5) Uani 1 1 d . . . . .
O53N O 0.49586(17) 0.24838(15) 0.45114(11) 0.0291(5) Uani 1 1 d . . . . .
N6 N 0.63627(19) 0.07515(17) 0.83923(13) 0.0205(5) Uani 1 1 d . . . . .
O61N O 0.65524(17) 0.13918(15) 0.77821(11) 0.0302(5) Uani 1 1 d . . . . .
O62N O 0.54797(17) 0.05177(16) 0.85858(13) 0.0348(5) Uani 1 1 d . . . . .
O63N O 0.70476(18) 0.03490(16) 0.88060(13) 0.0348(5) Uani 1 1 d . . . . .
N7 N 1.0203(12) 1.0201(13) 0.4644(11) 0.089(3) Uani 0.25 1 d D U P C -1
O71N O 1.0114(13) 0.9576(12) 0.4302(11) 0.080(3) Uani 0.25 1 d D U P C -1
O72N O 1.0915(10) 1.0143(15) 0.5057(10) 0.079(3) Uani 0.25 1 d D U P C -1
O73N O 0.9651(13) 1.0928(11) 0.4485(9) 0.090(3) Uani 0.25 1 d D U P C -1
N7A N 1.0036(11) 1.0336(11) 0.4694(8) 0.086(3) Uani 0.25 1 d D U P D -2
O71A O 1.0609(13) 1.0484(15) 0.5146(10) 0.088(3) Uani 0.25 1 d D U P D -2
O72A O 1.0274(15) 0.9918(14) 0.4201(11) 0.081(3) Uani 0.25 1 d D U P D -2
O73A O 0.9164(12) 1.0619(16) 0.4736(10) 0.094(3) Uani 0.25 1 d D U P D -2
N8 N 0.4653(14) 0.5058(12) 0.9712(9) 0.080(3) Uani 0.25 1 d D U P E -1
O81N O 0.4778(11) 0.4472(11) 0.9331(8) 0.067(3) Uani 0.25 1 d D U P E -1
O82N O 0.5174(15) 0.5782(10) 0.9552(9) 0.085(3) Uani 0.25 1 d D U P E -1
O83N O 0.4052(10) 0.4911(13) 1.0258(8) 0.074(3) Uani 0.25 1 d D U P E -1
N8A N 0.4984(11) 0.536(2) 0.9696(11) 0.081(3) Uani 0.25 1 d D U P F -2
O81A O 0.5825(13) 0.5694(14) 0.9588(10) 0.081(3) Uani 0.25 1 d D U P F -2
O82A O 0.4480(11) 0.5529(13) 1.0222(8) 0.081(3) Uani 0.25 1 d D U P F -2
O83A O 0.4679(12) 0.4962(13) 0.9231(9) 0.075(3) Uani 0.25 1 d D U P F -2
O1W O 0.82246(17) 1.18057(15) 0.27223(11) 0.0257(5) Uani 1 1 d G . . . .
H1WA H 0.7811 1.1888 0.3082 0.038 Uiso 1 1 d G U . . .
H1WB H 0.8755 1.2110 0.2770 0.038 Uiso 1 1 d G U . . .
O2W O 1.39665(19) 1.07942(17) 0.74599(17) 0.0438(6) Uani 1 1 d G . . . .
H2WA H 1.4034 1.0395 0.7181 0.066 Uiso 1 1 d G U . . .
H2WB H 1.4481 1.0672 0.7748 0.066 Uiso 1 1 d G U . . .
O3W O 1.4276(2) 0.9309(2) 0.66855(13) 0.0458(7) Uani 1 1 d G . . . .
H3WA H 1.3761 0.9456 0.6397 0.069 Uiso 1 1 d G U . . .
H3WB H 1.4300 0.8684 0.6829 0.069 Uiso 1 1 d DG U . . .
O4W O 0.86119(16) 0.43400(16) 0.75539(11) 0.0268(5) Uani 1 1 d G . . . .
H4WA H 0.8620 0.4361 0.8027 0.040 Uiso 1 1 d G U . . .
H4WB H 0.9237 0.4341 0.7407 0.040 Uiso 1 1 d G U . . .
O5W O 0.67643(17) 0.66520(15) 0.77650(11) 0.0254(5) Uani 1 1 d G . . . .
H5WA H 0.6348 0.7076 0.7870 0.038 Uiso 1 1 d G U . . .
H5WB H 0.7226 0.6580 0.8098 0.038 Uiso 1 1 d G U . . .
O6W O 0.00430(18) 0.3930(2) 1.16658(12) 0.0427(7) Uani 1 1 d G . . . .
H6WA H 0.0582 0.3665 1.1525 0.064 Uiso 1 1 d G U . . .
H6WB H -0.0107 0.3566 1.2122 0.064 Uiso 1 1 d G U . . .
Tb2 Tb 0.53515(2) 0.42735(2) 0.71546(2) 0.01252(4) Uani 0.5 1 d . . P B 2
Tb1 Tb 0.95215(2) 0.91771(2) 0.22471(2) 0.01234(4) Uani 0.5 1 d . . P A 4


_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 O11M 2.485(2) . ?
Eu1 O12M 2.3970(18) . ?
Eu1 H12A 2.8097 . ?
Eu1 H12B 2.8130 . ?
Eu1 O13M 2.4153(18) . ?
Eu1 O14M 2.4242(18) . ?
Eu1 O15M 2.3774(19) . ?
Eu1 H15A 2.7922 . ?
Eu1 H15B 2.7926 . ?
Eu1 O11N 2.467(2) . ?
Eu1 O12N 2.533(2) . ?
Eu1 O11 2.3665(19) . ?
Eu1 O21 2.4700(17) . ?
O11M H11A 0.8679 . ?
O11M H11B 0.8685 . ?
O11M Tb1 2.4848(19) . ?
O12M H12A 0.8728 . ?
O12M H12B 0.8721 . ?
O12M Tb1 2.3970(18) . ?
O13M H13A 0.8695 . ?
O13M H13B 0.8697 . ?
O13M Tb1 2.4153(18) . ?
O14M H14A 0.8708 . ?
O14M H14B 0.8696 . ?
O14M Tb1 2.4242(18) . ?
O15M H15A 0.8690 . ?
O15M H15B 0.8713 . ?
O15M Tb1 2.3774(19) . ?
N1 O11N 1.267(3) . ?
N1 O12N 1.260(3) . ?
N1 O13N 1.227(3) . ?
N1 Tb1 2.909(2) . ?
O11N Tb1 2.467(2) . ?
O12N Tb1 2.533(2) . ?
O11 C11 1.232(3) . ?
O11 Tb1 2.3665(19) . ?
O12 C12 1.218(3) . ?
C11 N11 1.352(3) . ?
C11 N12 1.360(3) . ?
C12 N13 1.373(3) . ?
C12 N14 1.368(3) . ?
C13 H13 1.0000 . ?
C13 C14 1.546(4) . ?
C13 N11 1.453(3) . ?
C13 N14 1.434(3) . ?
C14 H14 1.0000 . ?
C14 N12 1.440(3) . ?
C14 N13 1.457(3) . ?
N11 C36 1.455(3) 2_776 ?
N12 C15 1.447(3) . ?
N13 C16 1.448(3) . ?
N14 C35 1.432(3) 2_776 ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C15 N21 1.438(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 N24 1.451(3) . ?
O21 C21 1.228(3) . ?
O21 Tb1 2.4700(17) . ?
O22 C22 1.230(3) . ?
C21 N21 1.353(3) . ?
C21 N22 1.365(3) . ?
C22 N23 1.357(3) . ?
C22 N24 1.367(3) . ?
C23 H23 1.0000 . ?
C23 C24 1.551(4) . ?
C23 N21 1.445(3) . ?
C23 N24 1.449(3) . ?
C24 H24 1.0000 . ?
C24 N22 1.467(3) . ?
C24 N23 1.434(3) . ?
N22 C25 1.455(3) . ?
N23 C26 1.446(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 N31 1.444(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 N34 1.450(3) . ?
O31 C31 1.232(3) . ?
O32 C32 1.220(3) . ?
C31 N31 1.359(3) . ?
C31 N32 1.365(3) . ?
C32 N33 1.372(3) . ?
C32 N34 1.365(3) . ?
C33 H33 1.0000 . ?
C33 C34 1.548(3) . ?
C33 N31 1.450(3) . ?
C33 N34 1.440(3) . ?
C34 H34 1.0000 . ?
C34 N32 1.448(3) . ?
C34 N33 1.449(3) . ?
N32 C35 1.450(3) . ?
N33 C36 1.446(3) . ?
C35 N14 1.432(3) 2_776 ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 N11 1.455(3) 2_776 ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
Eu2 O21M 2.414(2) . ?
Eu2 O22M 2.4016(18) . ?
Eu2 H22A 2.8158 . ?
Eu2 H22B 2.8126 . ?
Eu2 O23M 2.4891(19) . ?
Eu2 O24M 2.380(2) . ?
Eu2 H24A 2.7946 . ?
Eu2 H24B 2.7953 . ?
Eu2 O25M 2.4045(19) . ?
Eu2 O21N 2.5067(18) . ?
Eu2 O22N 2.4859(17) . ?
Eu2 O41 2.4578(17) . ?
Eu2 O51 2.3461(17) . ?
O21M H21A 0.8699 . ?
O21M H21B 0.8690 . ?
O21M Tb2 2.414(2) . ?
O22M H22A 0.8726 . ?
O22M H22B 0.8701 . ?
O22M Tb2 2.4016(18) . ?
O23M H23A 0.8727 . ?
O23M H23B 0.8702 . ?
O23M Tb2 2.4891(19) . ?
O24M H24A 0.8712 . ?
O24M H24B 0.8690 . ?
O24M Tb2 2.380(2) . ?
O25M H25C 0.8679 . ?
O25M H25D 0.8699 . ?
O25M Tb2 2.4045(19) . ?
N2 O21N 1.268(3) . ?
N2 O22N 1.264(3) . ?
N2 O23N 1.228(3) . ?
N2 Tb2 2.899(2) . ?
O21N Tb2 2.5067(18) . ?
O22N Tb2 2.4859(17) . ?
O41 C41 1.236(3) . ?
O41 Tb2 2.4578(18) . ?
O42 C42 1.224(3) . ?
C41 N41 1.349(3) . ?
C41 N42 1.355(3) . ?
C42 N43 1.357(4) . ?
C42 N44 1.372(3) . ?
C43 H43 1.0000 . ?
C43 C44 1.551(4) . ?
C43 N41 1.457(3) . ?
C43 N44 1.441(3) . ?
C44 H44 1.0000 . ?
C44 N42 1.447(3) . ?
C44 N43 1.443(3) . ?
N41 C66 1.450(3) 2_667 ?
N42 C45 1.435(4) . ?
N43 C46 1.449(4) . ?
N44 C65 1.439(4) 2_667 ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 N51 1.444(3) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 N54 1.451(3) . ?
O51 C51 1.235(3) . ?
O51 Tb2 2.3461(17) . ?
O52 C52 1.225(3) . ?
C51 N51 1.351(3) . ?
C51 N52 1.354(3) . ?
C52 N53 1.363(3) . ?
C52 N54 1.364(3) . ?
C53 H53 1.0000 . ?
C53 C54 1.557(4) . ?
C53 N51 1.450(3) . ?
C53 N54 1.453(3) . ?
C54 H54 1.0000 . ?
C54 N52 1.466(3) . ?
C54 N53 1.445(3) . ?
N52 C55 1.455(3) . ?
N53 C56 1.453(3) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 N61 1.444(3) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 N64 1.442(3) . ?
O61 C61 1.228(3) . ?
O62 C62 1.230(3) . ?
C61 N61 1.368(3) . ?
C61 N62 1.366(3) . ?
C62 N63 1.365(3) . ?
C62 N64 1.357(3) . ?
C63 H63 1.0000 . ?
C63 C64 1.549(4) . ?
C63 N61 1.453(3) . ?
C63 N64 1.449(3) . ?
C64 H64 1.0000 . ?
C64 N62 1.443(3) . ?
C64 N63 1.455(3) . ?
N62 C65 1.446(3) . ?
N63 C66 1.441(3) . ?
C65 N44 1.439(4) 2_667 ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 N41 1.450(3) 2_667 ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
N3 O31N 1.245(3) . ?
N3 O32N 1.256(3) . ?
N3 O33N 1.246(3) . ?
N4 O41N 1.217(3) . ?
N4 O42N 1.245(3) . ?
N4 O43N 1.252(3) . ?
N5 O51N 1.245(3) . ?
N5 O52N 1.255(3) . ?
N5 O53N 1.251(3) . ?
N6 O61N 1.255(3) . ?
N6 O62N 1.251(3) . ?
N6 O63N 1.236(3) . ?
N7 O71N 1.245(7) . ?
N7 O72N 1.228(7) . ?
N7 O73N 1.235(7) . ?
N7A O71A 1.219(8) . ?
N7A O72A 1.238(8) . ?
N7A O73A 1.229(8) . ?
N8 O81N 1.239(7) . ?
N8 O82N 1.240(7) . ?
N8 O83N 1.227(7) . ?
N8A O81A 1.232(8) . ?
N8A O82A 1.223(8) . ?
N8A O83A 1.236(8) . ?
O1W H1WA 0.8689 . ?
O1W H1WB 0.8708 . ?
O2W H2WA 0.8695 . ?
O2W H2WB 0.8690 . ?
O3W H3WA 0.8701 . ?
O3W H3WB 0.8674 . ?
O4W H4WA 0.8702 . ?
O4W H4WB 0.8679 . ?
O5W H5WA 0.8676 . ?
O5W H5WB 0.8691 . ?
O6W H6WA 0.8666 . ?
O6W H6WB 0.8695 . ?

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
O11M Eu1 H12A 59.7 . . ?
O11M Eu1 H12B 81.2 . . ?
O11M Eu1 H15A 83.6 . . ?
O11M Eu1 H15B 63.9 . . ?
O11M Eu1 O12N 69.25(7) . . ?
O12M Eu1 O11M 76.46(7) . . ?
O12M Eu1 H12A 17.0 . . ?
O12M Eu1 H12B 17.0 . . ?
O12M Eu1 O13M 70.51(7) . . ?
O12M Eu1 O14M 144.44(7) . . ?
O12M Eu1 H15A 155.4 . . ?
O12M Eu1 H15B 127.0 . . ?
O12M Eu1 O11N 120.02(7) . . ?
O12M Eu1 O12N 72.33(6) . . ?
O12M Eu1 O21 73.75(6) . . ?
H12A Eu1 H12B 28.4 . . ?
H12A Eu1 H15A 139.6 . . ?
H12A Eu1 H15B 112.2 . . ?
H12B Eu1 H15A 164.6 . . ?
H12B Eu1 H15B 140.3 . . ?
O13M Eu1 O11M 132.67(7) . . ?
O13M Eu1 H12A 86.1 . . ?
O13M Eu1 H12B 58.3 . . ?
O13M Eu1 O14M 74.24(7) . . ?
O13M Eu1 H15A 134.0 . . ?
O13M Eu1 H15B 161.4 . . ?
O13M Eu1 O11N 101.37(7) . . ?
O13M Eu1 O12N 69.00(7) . . ?
O13M Eu1 O21 130.41(7) . . ?
O14M Eu1 O11M 134.12(7) . . ?
O14M Eu1 H12A 160.2 . . ?
O14M Eu1 H12B 131.8 . . ?
O14M Eu1 H15A 59.9 . . ?
O14M Eu1 H15B 87.6 . . ?
O14M Eu1 O11N 71.36(7) . . ?
O14M Eu1 O12N 99.35(6) . . ?
O14M Eu1 O21 129.57(6) . . ?
O15M Eu1 O11M 80.42(7) . . ?
O15M Eu1 O12M 141.21(6) . . ?
O15M Eu1 H12A 128.1 . . ?
O15M Eu1 H12B 156.4 . . ?
O15M Eu1 O13M 144.37(7) . . ?
O15M Eu1 O14M 71.70(7) . . ?
O15M Eu1 H15A 17.0 . . ?
O15M Eu1 H15B 17.1 . . ?
O15M Eu1 O11N 77.42(7) . . ?
O15M Eu1 O12N 126.72(7) . . ?
O15M Eu1 O21 68.62(6) . . ?
H15A Eu1 H15B 28.5 . . ?
O11N Eu1 O11M 67.40(6) . . ?
O11N Eu1 H12A 111.3 . . ?
O11N Eu1 H12B 108.6 . . ?
O11N Eu1 H15A 63.0 . . ?
O11N Eu1 H15B 76.1 . . ?
O11N Eu1 O12N 51.00(6) . . ?
O11N Eu1 O21 126.22(6) . . ?
O12N Eu1 H12A 70.7 . . ?
O12N Eu1 H12B 58.3 . . ?
O12N Eu1 H15A 113.8 . . ?
O12N Eu1 H15B 119.3 . . ?
O11 Eu1 O11M 141.60(6) . . ?
O11 Eu1 O12M 90.58(7) . . ?
O11 Eu1 H12A 102.3 . . ?
O11 Eu1 H12B 96.9 . . ?
O11 Eu1 O13M 72.28(7) . . ?
O11 Eu1 O14M 74.24(7) . . ?
O11 Eu1 O15M 88.57(7) . . ?
O11 Eu1 H15A 96.4 . . ?
O11 Eu1 H15B 99.1 . . ?
O11 Eu1 O11N 145.40(6) . . ?
O11 Eu1 O12N 140.98(6) . . ?
O11 Eu1 O21 74.91(6) . . ?
O21 Eu1 O11M 66.80(7) . . ?
O21 Eu1 H12A 65.9 . . ?
O21 Eu1 H12B 90.6 . . ?
O21 Eu1 H15A 85.3 . . ?
O21 Eu1 H15B 59.4 . . ?
O21 Eu1 O12N 129.20(6) . . ?
Eu1 O11M H11A 127.0 . . ?
Eu1 O11M H11B 121.6 . . ?
H11A O11M H11B 104.4 . . ?
Tb1 O11M H11A 127.0 . . ?
Tb1 O11M H11B 121.6 . . ?
Eu1 O12M H12A 109.4 . . ?
Eu1 O12M H12B 109.7 . . ?
H12A O12M H12B 104.2 . . ?
Tb1 O12M H12A 109.4 . . ?
Tb1 O12M H12B 109.7 . . ?
Eu1 O13M H13A 125.7 . . ?
Eu1 O13M H13B 128.2 . . ?
H13A O13M H13B 104.7 . . ?
Tb1 O13M H13A 125.7 . . ?
Tb1 O13M H13B 128.2 . . ?
Eu1 O14M H14A 125.8 . . ?
Eu1 O14M H14B 127.9 . . ?
H14A O14M H14B 104.6 . . ?
Tb1 O14M H14A 125.8 . . ?
Tb1 O14M H14B 127.9 . . ?
Eu1 O15M H15A 109.6 . . ?
Eu1 O15M H15B 109.6 . . ?
H15A O15M H15B 104.5 . . ?
Tb1 O15M H15A 109.6 . . ?
Tb1 O15M H15B 109.6 . . ?
O11N N1 Eu1 57.29(13) . . ?
O11N N1 Tb1 57.29(13) . . ?
O12N N1 Eu1 60.28(13) . . ?
O12N N1 O11N 116.8(2) . . ?
O12N N1 Tb1 60.28(13) . . ?
O13N N1 Eu1 170.32(18) . . ?
O13N N1 O11N 121.4(2) . . ?
O13N N1 O12N 121.8(2) . . ?
O13N N1 Tb1 170.32(18) . . ?
N1 O11N Eu1 97.10(15) . . ?
N1 O11N Tb1 97.10(15) . . ?
N1 O12N Eu1 94.12(15) . . ?
N1 O12N Tb1 94.12(15) . . ?
C11 O11 Eu1 158.01(18) . . ?
C11 O11 Tb1 158.01(18) . . ?
O11 C11 N11 125.0(2) . . ?
O11 C11 N12 125.9(2) . . ?
N11 C11 N12 109.1(2) . . ?
O12 C12 N13 126.1(2) . . ?
O12 C12 N14 126.0(2) . . ?
N14 C12 N13 107.9(2) . . ?
C14 C13 H13 111.6 . . ?
N11 C13 H13 111.6 . . ?
N11 C13 C14 103.7(2) . . ?
N14 C13 H13 111.6 . . ?
N14 C13 C14 103.44(19) . . ?
N14 C13 N11 114.4(2) . . ?
C13 C14 H14 111.8 . . ?
N12 C14 C13 102.4(2) . . ?
N12 C14 H14 111.8 . . ?
N12 C14 N13 115.3(2) . . ?
N13 C14 C13 103.0(2) . . ?
N13 C14 H14 111.8 . . ?
C11 N11 C13 111.3(2) . . ?
C11 N11 C36 123.2(2) . 2_776 ?
C13 N11 C36 122.0(2) . 2_776 ?
C11 N12 C14 112.7(2) . . ?
C11 N12 C15 123.5(2) . . ?
C14 N12 C15 123.7(2) . . ?
C12 N13 C14 111.7(2) . . ?
C12 N13 C16 122.1(2) . . ?
C16 N13 C14 124.2(2) . . ?
C12 N14 C13 113.0(2) . . ?
C12 N14 C35 123.3(2) . 2_776 ?
C35 N14 C13 123.0(2) 2_776 . ?
N12 C15 H15C 108.9 . . ?
N12 C15 H15D 108.9 . . ?
H15C C15 H15D 107.7 . . ?
N21 C15 N12 113.5(2) . . ?
N21 C15 H15C 108.9 . . ?
N21 C15 H15D 108.9 . . ?
N13 C16 H16A 108.9 . . ?
N13 C16 H16B 108.9 . . ?
N13 C16 N24 113.2(2) . . ?
H16A C16 H16B 107.8 . . ?
N24 C16 H16A 108.9 . . ?
N24 C16 H16B 108.9 . . ?
C21 O21 Eu1 157.16(18) . . ?
C21 O21 Tb1 157.16(18) . . ?
O21 C21 N21 125.6(2) . . ?
O21 C21 N22 125.2(2) . . ?
N21 C21 N22 109.2(2) . . ?
O22 C22 N23 125.5(2) . . ?
O22 C22 N24 125.6(3) . . ?
N23 C22 N24 108.9(2) . . ?
C24 C23 H23 111.8 . . ?
N21 C23 H23 111.8 . . ?
N21 C23 C24 102.9(2) . . ?
N21 C23 N24 114.9(2) . . ?
N24 C23 H23 111.8 . . ?
N24 C23 C24 102.9(2) . . ?
C23 C24 H24 111.5 . . ?
N22 C24 C23 103.03(19) . . ?
N22 C24 H24 111.5 . . ?
N23 C24 C23 103.2(2) . . ?
N23 C24 H24 111.5 . . ?
N23 C24 N22 115.4(2) . . ?
C15 N21 C23 125.0(2) . . ?
C21 N21 C15 122.2(2) . . ?
C21 N21 C23 112.8(2) . . ?
C21 N22 C24 111.0(2) . . ?
C21 N22 C25 121.6(2) . . ?
C25 N22 C24 123.1(2) . . ?
C22 N23 C24 112.4(2) . . ?
C22 N23 C26 123.6(2) . . ?
C24 N23 C26 123.9(2) . . ?
C22 N24 C16 123.7(2) . . ?
C22 N24 C23 111.2(2) . . ?
C23 N24 C16 123.1(2) . . ?
N22 C25 H25A 108.8 . . ?
N22 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
N31 C25 N22 113.8(2) . . ?
N31 C25 H25A 108.8 . . ?
N31 C25 H25B 108.8 . . ?
N23 C26 H26A 109.0 . . ?
N23 C26 H26B 109.0 . . ?
N23 C26 N34 112.79(19) . . ?
H26A C26 H26B 107.8 . . ?
N34 C26 H26A 109.0 . . ?
N34 C26 H26B 109.0 . . ?
O31 C31 N31 125.9(2) . . ?
O31 C31 N32 125.6(2) . . ?
N31 C31 N32 108.5(2) . . ?
O32 C32 N33 126.4(2) . . ?
O32 C32 N34 125.7(3) . . ?
N34 C32 N33 107.9(2) . . ?
C34 C33 H33 111.9 . . ?
N31 C33 H33 111.9 . . ?
N31 C33 C34 103.4(2) . . ?
N34 C33 H33 111.9 . . ?
N34 C33 C34 103.6(2) . . ?
N34 C33 N31 113.5(2) . . ?
C33 C34 H34 111.8 . . ?
N32 C34 C33 102.87(19) . . ?
N32 C34 H34 111.8 . . ?
N32 C34 N33 115.0(2) . . ?
N33 C34 C33 102.8(2) . . ?
N33 C34 H34 111.8 . . ?
C25 N31 C33 123.5(2) . . ?
C31 N31 C25 123.3(2) . . ?
C31 N31 C33 112.3(2) . . ?
C31 N32 C34 112.6(2) . . ?
C31 N32 C35 123.9(2) . . ?
C34 N32 C35 123.4(2) . . ?
C32 N33 C34 112.4(2) . . ?
C32 N33 C36 121.9(2) . . ?
C36 N33 C34 123.3(2) . . ?
C32 N34 C26 123.2(2) . . ?
C32 N34 C33 112.7(2) . . ?
C33 N34 C26 121.4(2) . . ?
N14 C35 N32 114.3(2) 2_776 . ?
N14 C35 H35A 108.7 2_776 . ?
N14 C35 H35B 108.7 2_776 . ?
N32 C35 H35A 108.7 . . ?
N32 C35 H35B 108.7 . . ?
H35A C35 H35B 107.6 . . ?
N11 C36 H36A 108.8 2_776 . ?
N11 C36 H36B 108.8 2_776 . ?
N33 C36 N11 113.6(2) . 2_776 ?
N33 C36 H36A 108.8 . . ?
N33 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
O21M Eu2 H22A 59.6 . . ?
O21M Eu2 H22B 86.6 . . ?
O21M Eu2 O23M 130.88(7) . . ?
O21M Eu2 H24A 139.8 . . ?
O21M Eu2 H24B 164.7 . . ?
O21M Eu2 O21N 105.66(7) . . ?
O21M Eu2 O22N 69.00(7) . . ?
O21M Eu2 O41 126.06(7) . . ?
O22M Eu2 O21M 70.39(7) . . ?
O22M Eu2 H22A 17.0 . . ?
O22M Eu2 H22B 17.0 . . ?
O22M Eu2 O23M 74.01(7) . . ?
O22M Eu2 H24A 149.8 . . ?
O22M Eu2 H24B 121.7 . . ?
O22M Eu2 O25M 146.95(8) . . ?
O22M Eu2 O21N 120.75(6) . . ?
O22M Eu2 O22N 75.14(6) . . ?
O22M Eu2 O41 69.94(6) . . ?
H22A Eu2 H22B 28.3 . . ?
H22A Eu2 H24A 158.6 . . ?
H22A Eu2 H24B 134.4 . . ?
H22B Eu2 H24A 133.6 . . ?
H22B Eu2 H24B 106.6 . . ?
O23M Eu2 H22A 76.9 . . ?
O23M Eu2 H22B 57.8 . . ?
O23M Eu2 H24A 81.7 . . ?
O23M Eu2 H24B 64.2 . . ?
O23M Eu2 O21N 66.08(6) . . ?
O24M Eu2 O21M 147.89(7) . . ?
O24M Eu2 O22M 136.50(7) . . ?
O24M Eu2 H22A 150.9 . . ?
O24M Eu2 H22B 122.6 . . ?
O24M Eu2 O23M 80.12(7) . . ?
O24M Eu2 H24A 17.1 . . ?
O24M Eu2 H24B 17.0 . . ?
O24M Eu2 O25M 74.29(7) . . ?
O24M Eu2 O21N 77.10(6) . . ?
O24M Eu2 O22N 127.10(6) . . ?
O24M Eu2 O41 68.09(6) . . ?
H24A Eu2 H24B 28.5 . . ?
O25M Eu2 O21M 76.65(8) . . ?
O25M Eu2 H22A 134.8 . . ?
O25M Eu2 H22B 163.0 . . ?
O25M Eu2 O23M 133.32(7) . . ?
O25M Eu2 H24A 63.1 . . ?
O25M Eu2 H24B 90.4 . . ?
O25M Eu2 O21N 70.49(6) . . ?
O25M Eu2 O22N 95.67(6) . . ?
O25M Eu2 O41 131.93(6) . . ?
O21N Eu2 H22A 108.9 . . ?
O21N Eu2 H22B 112.5 . . ?
O21N Eu2 H24A 61.9 . . ?
O21N Eu2 H24B 77.0 . . ?
O22N Eu2 H22A 59.9 . . ?
O22N Eu2 H22B 75.6 . . ?
O22N Eu2 O23M 69.96(6) . . ?
O22N Eu2 H24A 113.1 . . ?
O22N Eu2 H24B 121.2 . . ?
O22N Eu2 O21N 51.29(6) . . ?
O41 Eu2 H22A 86.7 . . ?
O41 Eu2 H22B 61.1 . . ?
O41 Eu2 O23M 67.83(6) . . ?
O41 Eu2 H24A 84.6 . . ?
O41 Eu2 H24B 57.8 . . ?
O41 Eu2 O21N 125.68(6) . . ?
O41 Eu2 O22N 130.79(6) . . ?
O51 Eu2 O21M 74.19(7) . . ?
O51 Eu2 O22M 94.68(6) . . ?
O51 Eu2 H22A 102.7 . . ?
O51 Eu2 H22B 104.6 . . ?
O51 Eu2 O23M 142.02(6) . . ?
O51 Eu2 O24M 84.68(7) . . ?
O51 Eu2 H24A 93.6 . . ?
O51 Eu2 H24B 94.5 . . ?
O51 Eu2 O25M 73.54(6) . . ?
O51 Eu2 O21N 142.85(6) . . ?
O51 Eu2 O22N 143.13(7) . . ?
O51 Eu2 O41 74.22(6) . . ?
Eu2 O21M H21A 124.2 . . ?
Eu2 O21M H21B 129.9 . . ?
H21A O21M H21B 104.3 . . ?
Tb2 O21M H21A 124.2 . . ?
Tb2 O21M H21B 129.9 . . ?
Eu2 O22M H22A 109.5 . . ?
Eu2 O22M H22B 109.4 . . ?
H22A O22M H22B 104.5 . . ?
Tb2 O22M H22A 109.5 . . ?
Tb2 O22M H22B 109.4 . . ?
Eu2 O23M H23A 109.4 . . ?
Eu2 O23M H23B 109.5 . . ?
H23A O23M H23B 104.4 . . ?
Tb2 O23M H23A 109.4 . . ?
Tb2 O23M H23B 109.5 . . ?
Eu2 O24M H24A 109.5 . . ?
Eu2 O24M H24B 109.7 . . ?
H24A O24M H24B 104.3 . . ?
Tb2 O24M H24A 109.5 . . ?
Tb2 O24M H24B 109.7 . . ?
Eu2 O25M H25C 127.4 . . ?
Eu2 O25M H25D 127.3 . . ?
H25C O25M H25D 104.6 . . ?
Tb2 O25M H25C 127.4 . . ?
Tb2 O25M H25D 127.3 . . ?
O21N N2 Eu2 59.52(12) . . ?
O21N N2 Tb2 59.52(12) . . ?
O22N N2 Eu2 58.56(11) . . ?
O22N N2 O21N 117.2(2) . . ?
O22N N2 Tb2 58.56(11) . . ?
O23N N2 Eu2 169.54(18) . . ?
O23N N2 O21N 121.2(2) . . ?
O23N N2 O22N 121.6(2) . . ?
O23N N2 Tb2 169.54(18) . . ?
N2 O21N Eu2 94.62(14) . . ?
N2 O21N Tb2 94.62(14) . . ?
N2 O22N Eu2 95.74(14) . . ?
N2 O22N Tb2 95.74(14) . . ?
C41 O41 Eu2 157.09(18) . . ?
C41 O41 Tb2 157.09(18) . . ?
O41 C41 N41 124.9(2) . . ?
O41 C41 N42 125.7(3) . . ?
N41 C41 N42 109.4(2) . . ?
O42 C42 N43 126.6(3) . . ?
O42 C42 N44 125.0(3) . . ?
N43 C42 N44 108.4(2) . . ?
C44 C43 H43 111.6 . . ?
N41 C43 H43 111.6 . . ?
N41 C43 C44 103.1(2) . . ?
N44 C43 H43 111.6 . . ?
N44 C43 C44 103.3(2) . . ?
N44 C43 N41 114.9(2) . . ?
C43 C44 H44 111.6 . . ?
N42 C44 C43 103.0(2) . . ?
N42 C44 H44 111.6 . . ?
N43 C44 C43 103.2(2) . . ?
N43 C44 H44 111.6 . . ?
N43 C44 N42 115.1(2) . . ?
C41 N41 C43 112.0(2) . . ?
C41 N41 C66 123.4(2) . 2_667 ?
C66 N41 C43 123.8(2) 2_667 . ?
C41 N42 C44 112.4(2) . . ?
C41 N42 C45 123.1(2) . . ?
C45 N42 C44 124.3(2) . . ?
C42 N43 C44 112.2(2) . . ?
C42 N43 C46 123.3(2) . . ?
C44 N43 C46 123.9(2) . . ?
C42 N44 C43 112.0(2) . . ?
C42 N44 C65 122.0(2) . 2_667 ?
C65 N44 C43 124.4(2) 2_667 . ?
N42 C45 H45A 108.9 . . ?
N42 C45 H45B 108.9 . . ?
N42 C45 N51 113.4(2) . . ?
H45A C45 H45B 107.7 . . ?
N51 C45 H45A 108.9 . . ?
N51 C45 H45B 108.9 . . ?
N43 C46 H46A 109.0 . . ?
N43 C46 H46B 109.0 . . ?
N43 C46 N54 112.9(2) . . ?
H46A C46 H46B 107.8 . . ?
N54 C46 H46A 109.0 . . ?
N54 C46 H46B 109.0 . . ?
C51 O51 Eu2 159.63(18) . . ?
C51 O51 Tb2 159.63(18) . . ?
O51 C51 N51 125.5(2) . . ?
O51 C51 N52 124.8(2) . . ?
N51 C51 N52 109.7(2) . . ?
O52 C52 N53 125.5(2) . . ?
O52 C52 N54 125.6(2) . . ?
N53 C52 N54 108.8(2) . . ?
C54 C53 H53 111.8 . . ?
N51 C53 H53 111.8 . . ?
N51 C53 C54 102.59(19) . . ?
N51 C53 N54 114.7(2) . . ?
N54 C53 H53 111.8 . . ?
N54 C53 C54 103.5(2) . . ?
C53 C54 H54 111.9 . . ?
N52 C54 C53 102.9(2) . . ?
N52 C54 H54 111.9 . . ?
N53 C54 C53 102.4(2) . . ?
N53 C54 H54 111.9 . . ?
N53 C54 N52 115.2(2) . . ?
C45 N51 C53 124.1(2) . . ?
C51 N51 C45 123.0(2) . . ?
C51 N51 C53 112.6(2) . . ?
C51 N52 C54 111.3(2) . . ?
C51 N52 C55 120.8(2) . . ?
C55 N52 C54 124.4(2) . . ?
C52 N53 C54 112.8(2) . . ?
C52 N53 C56 123.1(2) . . ?
C54 N53 C56 124.1(2) . . ?
C46 N54 C53 124.0(2) . . ?
C52 N54 C46 122.3(2) . . ?
C52 N54 C53 111.3(2) . . ?
N52 C55 H55A 109.0 . . ?
N52 C55 H55B 109.0 . . ?
H55A C55 H55B 107.8 . . ?
N61 C55 N52 113.0(2) . . ?
N61 C55 H55A 109.0 . . ?
N61 C55 H55B 109.0 . . ?
N53 C56 H56A 108.7 . . ?
N53 C56 H56B 108.7 . . ?
H56A C56 H56B 107.6 . . ?
N64 C56 N53 114.3(2) . . ?
N64 C56 H56A 108.7 . . ?
N64 C56 H56B 108.7 . . ?
O61 C61 N61 126.6(2) . . ?
O61 C61 N62 125.1(2) . . ?
N62 C61 N61 108.3(2) . . ?
O62 C62 N63 125.4(2) . . ?
O62 C62 N64 126.0(2) . . ?
N64 C62 N63 108.6(2) . . ?
C64 C63 H63 111.9 . . ?
N61 C63 H63 111.9 . . ?
N61 C63 C64 103.3(2) . . ?
N64 C63 H63 111.9 . . ?
N64 C63 C64 103.3(2) . . ?
N64 C63 N61 114.0(2) . . ?
C63 C64 H64 111.8 . . ?
N62 C64 C63 103.0(2) . . ?
N62 C64 H64 111.8 . . ?
N62 C64 N63 114.8(2) . . ?
N63 C64 C63 102.9(2) . . ?
N63 C64 H64 111.8 . . ?
C55 N61 C63 120.8(2) . . ?
C61 N61 C55 123.2(2) . . ?
C61 N61 C63 111.7(2) . . ?
C61 N62 C64 112.8(2) . . ?
C61 N62 C65 124.3(2) . . ?
C64 N62 C65 122.4(2) . . ?
C62 N63 C64 112.2(2) . . ?
C62 N63 C66 122.1(2) . . ?
C66 N63 C64 122.6(2) . . ?
C56 N64 C63 122.2(2) . . ?
C62 N64 C56 123.2(2) . . ?
C62 N64 C63 112.6(2) . . ?
N44 C65 N62 113.7(2) 2_667 . ?
N44 C65 H65A 108.8 2_667 . ?
N44 C65 H65B 108.8 2_667 . ?
N62 C65 H65A 108.8 . . ?
N62 C65 H65B 108.8 . . ?
H65A C65 H65B 107.7 . . ?
N41 C66 H66A 108.9 2_667 . ?
N41 C66 H66B 108.9 2_667 . ?
N63 C66 N41 113.6(2) . 2_667 ?
N63 C66 H66A 108.9 . . ?
N63 C66 H66B 108.9 . . ?
H66A C66 H66B 107.7 . . ?
O31N N3 O32N 120.3(2) . . ?
O31N N3 O33N 120.2(2) . . ?
O33N N3 O32N 119.5(2) . . ?
O41N N4 O42N 121.2(3) . . ?
O41N N4 O43N 118.7(3) . . ?
O42N N4 O43N 120.0(2) . . ?
O51N N5 O52N 120.4(2) . . ?
O51N N5 O53N 120.1(2) . . ?
O53N N5 O52N 119.5(2) . . ?
O62N N6 O61N 120.2(3) . . ?
O63N N6 O61N 120.1(2) . . ?
O63N N6 O62N 119.6(2) . . ?
O72N N7 O71N 119.3(7) . . ?
O72N N7 O73N 121.0(7) . . ?
O73N N7 O71N 119.0(7) . . ?
O71A N7A O72A 124.3(17) . . ?
O71A N7A O73A 117.3(16) . . ?
O73A N7A O72A 118.4(16) . . ?
O81N N8 O82N 118.9(7) . . ?
O83N N8 O81N 120.9(7) . . ?
O83N N8 O82N 120.2(7) . . ?
O81A N8A O83A 118.7(14) . . ?
O82A N8A O81A 115.7(15) . . ?
O82A N8A O83A 125.1(15) . . ?
H1WA O1W H1WB 104.4 . . ?
H2WA O2W H2WB 104.7 . . ?
H3WA O3W H3WB 104.4 . . ?
H4WA O4W H4WB 104.4 . . ?
H5WA O5W H5WB 104.4 . . ?
H6WA O6W H6WB 104.5 . . ?
O21M Tb2 O23M 130.88(7) . . ?
O21M Tb2 O21N 105.66(7) . . ?
O21M Tb2 O22N 69.00(7) . . ?
O21M Tb2 O41 126.06(7) . . ?
O22M Tb2 O21M 70.39(7) . . ?
O22M Tb2 O23M 74.01(7) . . ?
O22M Tb2 O25M 146.95(8) . . ?
O22M Tb2 O21N 120.75(6) . . ?
O22M Tb2 O22N 75.14(6) . . ?
O22M Tb2 O41 69.94(6) . . ?
O23M Tb2 O21N 66.08(6) . . ?
O24M Tb2 O21M 147.89(7) . . ?
O24M Tb2 O22M 136.50(7) . . ?
O24M Tb2 O23M 80.12(7) . . ?
O24M Tb2 O25M 74.29(7) . . ?
O24M Tb2 O21N 77.10(6) . . ?
O24M Tb2 O22N 127.10(6) . . ?
O24M Tb2 O41 68.09(6) . . ?
O25M Tb2 O21M 76.65(8) . . ?
O25M Tb2 O23M 133.32(7) . . ?
O25M Tb2 O21N 70.49(6) . . ?
O25M Tb2 O22N 95.67(6) . . ?
O25M Tb2 O41 131.93(6) . . ?
O22N Tb2 O23M 69.96(6) . . ?
O22N Tb2 O21N 51.29(6) . . ?
O41 Tb2 O23M 67.83(6) . . ?
O41 Tb2 O21N 125.68(6) . . ?
O41 Tb2 O22N 130.79(6) . . ?
O51 Tb2 O21M 74.19(7) . . ?
O51 Tb2 O22M 94.68(6) . . ?
O51 Tb2 O23M 142.02(6) . . ?
O51 Tb2 O24M 84.68(7) . . ?
O51 Tb2 O25M 73.54(6) . . ?
O51 Tb2 O21N 142.85(6) . . ?
O51 Tb2 O22N 143.13(7) . . ?
O51 Tb2 O41 74.22(6) . . ?
O11M Tb1 O12N 69.25(7) . . ?
O12M Tb1 O11M 76.46(7) . . ?
O12M Tb1 O13M 70.51(7) . . ?
O12M Tb1 O14M 144.44(7) . . ?
O12M Tb1 O11N 120.02(7) . . ?
O12M Tb1 O12N 72.33(6) . . ?
O12M Tb1 O21 73.75(6) . . ?
O13M Tb1 O11M 132.67(7) . . ?
O13M Tb1 O14M 74.24(7) . . ?
O13M Tb1 O11N 101.37(7) . . ?
O13M Tb1 O12N 69.00(7) . . ?
O13M Tb1 O21 130.41(7) . . ?
O14M Tb1 O11M 134.12(7) . . ?
O14M Tb1 O11N 71.36(7) . . ?
O14M Tb1 O12N 99.35(6) . . ?
O14M Tb1 O21 129.57(6) . . ?
O15M Tb1 O11M 80.42(7) . . ?
O15M Tb1 O12M 141.21(6) . . ?
O15M Tb1 O13M 144.37(7) . . ?
O15M Tb1 O14M 71.70(7) . . ?
O15M Tb1 O11N 77.42(7) . . ?
O15M Tb1 O12N 126.72(7) . . ?
O15M Tb1 O21 68.62(6) . . ?
O11N Tb1 O11M 67.40(6) . . ?
O11N Tb1 O12N 51.00(6) . . ?
O11N Tb1 O21 126.22(6) . . ?
O11 Tb1 O11M 141.60(6) . . ?
O11 Tb1 O12M 90.58(7) . . ?
O11 Tb1 O13M 72.28(7) . . ?
O11 Tb1 O14M 74.24(7) . . ?
O11 Tb1 O15M 88.57(7) . . ?
O11 Tb1 O11N 145.40(6) . . ?
O11 Tb1 O12N 140.98(6) . . ?
O11 Tb1 O21 74.91(6) . . ?
O21 Tb1 O11M 66.80(7) . . ?
O21 Tb1 O12N 129.20(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.079
_oxdiff_exptl_absorpt_empirical_full_min 0.958
_vrf_PLAT430_km780-4             
;
PROBLEM: Short Inter D...A Contact O23N ..O41N . 2.84 Ang.
 x,y,z = 1_555 Check
RESPONSE: O41N atom of one of the nitrates shows unresolved
disorder which reduces the observed distance.
;
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_km790-3
_database_code_depnum_ccdc_archive 'CCDC 2336762'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2024-03-01 deposited with the CCDC.	2024-06-14 downloaded from the CCDC.
;
_audit_creation_date             2024-03-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C18 H28 Eu0.7 Ho0.3 N13 O14), 5(N O3), 6(H2 O)'
_chemical_formula_sum            'C36 H68 Eu1.40 Ho0.60 N31 O49'
_chemical_formula_weight         2030.91
_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'
Ho Ho -0.2175 4.6783 '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                   13.4090(5)
_cell_length_b                   14.4887(5)
_cell_length_c                   18.2100(8)
_cell_angle_alpha                73.8529(14)
_cell_angle_beta                 87.2751(14)
_cell_angle_gamma                87.7447(12)
_cell_volume                     3393.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4513
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.33
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.770
_shelx_estimated_absorpt_T_min   0.620
_exptl_absorpt_coefficient_mu    2.117
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.5976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0823 before and 0.0468 after correction.
 
For component 2:
 wR2(int) was 0.1192 before and 0.0495 after correction.
 The Ratio of minimum to maximum transmission is 0.80.

Final HKLF 4 output contains 122488 reflections, Rint = 0.0814
 (63816 with I > 3sig(I), Rint = 0.0479)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.988
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2043
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_av_unetI/netI     0.0800
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            22195
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.530
_diffrn_reflns_theta_min         1.464
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18354
_reflns_number_total             22195
_reflns_special_details          
;
 _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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.735
_refine_diff_density_min         -1.570
_refine_diff_density_rms         0.271
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1210
_refine_ls_number_reflns         22195
_refine_ls_number_restraints     289
_refine_ls_R_factor_all          0.1019
_refine_ls_R_factor_gt           0.0569
_refine_ls_restrained_S_all      1.157
_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)+37.1571P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1369
_refine_special_details          'Refined as a 2-component twin.,Twin'
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.6134(7)
 0.3866(7)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
3. Shared sites
{Eu2, Ho2}
{Eu1, Ho1}
4. Restrained distances
 H2WA-H3WA
 2.12 with sigma of 0.02
 H3WA-O31
 2.1 with sigma of 0.04
 H3WB-O12_$1
 2.1 with sigma of 0.04
 N7-O71N \\sim N7-O72N \\sim N7-O73N \\sim N7A-O71A \\sim N7A-O72A \\sim
N7A-O73A \\sim N8-O81N \\sim N8-
 O82N \\sim N8-O83N \\sim N8A-O81A \\sim N8A-O82A \\sim N8A-O83A
 with sigma of 0.01
 O71N-O72N \\sim O72N-O73N \\sim O73N-O71N \\sim O81N-O82N \\sim O82N-O83N
\\sim O83N-O81N
 with sigma of 0.01
5. Restrained planarity
 N7A, O71A, O72A, O73A
 with sigma of 0.03
6. Uiso/Uaniso restraints and constraints
N7 \\sim O71N \\sim O72N \\sim O73N \\sim N7A \\sim O71A \\sim O72A \\sim O73A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N8 \\sim O81N \\sim O82N \\sim O83N \\sim N8A \\sim O81A \\sim O82A \\sim O83A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N4 \\sim O41N \\sim O42N \\sim O43N: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 2A
Uanis(Eu2) = Uanis(Ho2)
Uanis(Eu1) = Uanis(Ho1)
7. Others
 Fixed Sof: Eu1(0.7) Eu2(0.7) N7(0.25) O71N(0.25) O72N(0.25) O73N(0.25)
 N7A(0.25) O71A(0.25) O72A(0.25) O73A(0.25) N8(0.25) O81N(0.25) O82N(0.25)
 O83N(0.25) N8A(0.25) O81A(0.25) O82A(0.25) O83A(0.25) Ho2(0.3) Ho1(0.3)
8.a Free rotating group:
 O11M(H11A,H11B), O13M(H13A,H13B), O14M(H14A,H14B), O21M(H21A,H21B), O25M(H25C,
 H25D), O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB),
 O5W(H5WA,H5WB), O6W(H6WA,H6WB)
8.b Rotating group:
 O12M(H12A,H12B), O15M(H15A,H15B), O22M(H22A,H22B), O23M(H23A,H23B), O24M(H24A,
 H24B)
8.c Ternary CH refined with riding coordinates:
 C13(H13), C14(H14), C23(H23), C24(H24), C33(H33), C34(H34), C43(H43),
 C44(H44), C53(H53), C54(H54), C63(H63), C64(H64)
8.d Secondary CH2 refined with riding coordinates:
 C15(H15C,H15D), C16(H16A,H16B), C25(H25A,H25B), C26(H26A,H26B), C35(H35A,
 H35B), C36(H36A,H36B), C45(H45A,H45B), C46(H46A,H46B), C55(H55A,H55B),
 C56(H56A,H56B), C65(H65A,H65B), C66(H66A,H66B)
;
_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 0.95203(2) 0.91773(2) 0.22476(2) 0.01163(6) Uani 0.7 1 d . . P A 3
O11M O 0.7871(4) 0.8412(4) 0.2447(3) 0.0214(10) Uani 1 1 d G . . . .
H11A H 0.7295 0.8634 0.2570 0.032 Uiso 1 1 d G U . A .
H11B H 0.7827 0.7790 0.2613 0.032 Uiso 1 1 d G U . A .
O12M O 0.9897(4) 0.7603(4) 0.2119(3) 0.0206(10) Uani 1 1 d . . . . .
H12A H 0.9353 0.7262 0.2209 0.031 Uiso 1 1 d R U . A .
H12B H 1.0068 0.7638 0.1640 0.031 Uiso 1 1 d R U . . .
O13M O 1.0851(4) 0.9260(5) 0.1300(3) 0.0262(12) Uani 1 1 d G . . . .
H13A H 1.0798 0.9016 0.0918 0.039 Uiso 1 1 d G U . A .
H13B H 1.1490 0.9278 0.1353 0.039 Uiso 1 1 d G U . A .
O14M O 1.0047(4) 1.0821(4) 0.1886(3) 0.0207(10) Uani 1 1 d G . . . .
H14A H 1.0358 1.1142 0.2141 0.031 Uiso 1 1 d G U . A .
H14B H 0.9943 1.1234 0.1446 0.031 Uiso 1 1 d G U . A .
O15M O 0.8754(5) 0.9962(4) 0.3122(3) 0.0312(13) Uani 1 1 d . . . . .
H15A H 0.8482 1.0510 0.2869 0.047 Uiso 1 1 d R U . A .
H15B H 0.8252 0.9628 0.3367 0.047 Uiso 1 1 d R U . . .
N1 N 0.8187(4) 0.9745(4) 0.0975(3) 0.0178(11) Uani 1 1 d . . . . .
O11N O 0.8218(4) 1.0197(4) 0.1475(3) 0.0205(10) Uani 1 1 d . . . . .
O12N O 0.8864(4) 0.9107(4) 0.0987(3) 0.0260(11) Uani 1 1 d . . . . .
O13N O 0.7521(4) 0.9911(4) 0.0513(3) 0.0293(13) Uani 1 1 d . . . . .
O11 O 1.1040(3) 0.9157(3) 0.2859(2) 0.0149(9) Uani 1 1 d . . . . .
O12 O 1.2903(4) 0.8320(4) 0.5951(3) 0.0206(10) Uani 1 1 d . . . . .
C11 C 1.1700(5) 0.8846(4) 0.3307(3) 0.0128(11) Uani 1 1 d . . . . .
C12 C 1.2874(5) 0.8320(5) 0.5279(4) 0.0141(11) Uani 1 1 d . . . . .
C13 C 1.3172(5) 0.8784(4) 0.3955(3) 0.0126(11) Uani 1 1 d . . . . .
H13 H 1.3835 0.8775 0.3680 0.015 Uiso 1 1 calc R U . . .
C14 C 1.2708(4) 0.7776(5) 0.4199(3) 0.0122(11) Uani 1 1 d . . . . .
H14 H 1.3184 0.7268 0.4106 0.015 Uiso 1 1 calc R U . . .
N11 N 1.2432(4) 0.9388(4) 0.3458(3) 0.0135(10) Uani 1 1 d . . . . .
N12 N 1.1851(4) 0.7918(4) 0.3712(3) 0.0142(10) Uani 1 1 d . . . . .
N13 N 1.2465(4) 0.7631(4) 0.5010(3) 0.0153(10) Uani 1 1 d . . . . .
N14 N 1.3264(4) 0.9004(4) 0.4670(3) 0.0137(10) Uani 1 1 d . . . . .
C15 C 1.1201(5) 0.7149(4) 0.3698(3) 0.0119(10) Uani 1 1 d . . . . .
H15C H 1.0909 0.7294 0.3188 0.014 Uiso 1 1 calc R U . . .
H15D H 1.1602 0.6544 0.3776 0.014 Uiso 1 1 calc R U . . .
C16 C 1.2110(5) 0.6739(5) 0.5518(4) 0.0161(12) Uani 1 1 d . . . . .
H16A H 1.2355 0.6664 0.6037 0.019 Uiso 1 1 calc R U . . .
H16B H 1.2390 0.6195 0.5337 0.019 Uiso 1 1 calc R U . . .
O21 O 0.9270(4) 0.8054(4) 0.3534(3) 0.0174(9) Uani 1 1 d . . . . .
O22 O 1.0764(4) 0.6859(4) 0.6789(3) 0.0203(10) Uani 1 1 d . . . . .
C21 C 0.9505(5) 0.7481(5) 0.4140(3) 0.0143(11) Uani 1 1 d . . . . .
C22 C 1.0448(5) 0.6732(4) 0.6199(4) 0.0157(11) Uani 1 1 d . . . . .
C23 C 1.0455(5) 0.6356(4) 0.5035(3) 0.0119(10) Uani 1 1 d . . . . .
H23 H 1.0672 0.5692 0.5025 0.014 Uiso 1 1 calc R U . . .
C24 C 0.9351(5) 0.6400(4) 0.5356(4) 0.0136(11) Uani 1 1 d . . . . .
H24 H 0.9006 0.5783 0.5414 0.016 Uiso 1 1 calc R U . . .
N21 N 1.0406(4) 0.7013(4) 0.4274(3) 0.0136(10) Uani 1 1 d . . . . .
N22 N 0.8896(4) 0.7191(4) 0.4777(3) 0.0155(10) Uani 1 1 d . . . . .
N23 N 0.9478(4) 0.6574(4) 0.6080(3) 0.0158(10) Uani 1 1 d . . . . .
N24 N 1.1020(4) 0.6701(4) 0.5562(3) 0.0159(10) Uani 1 1 d . . . . .
C25 C 0.7820(5) 0.7368(5) 0.4748(4) 0.0147(11) Uani 1 1 d . . . . .
H25A H 0.7642 0.7639 0.4208 0.018 Uiso 1 1 calc R U . . .
H25B H 0.7483 0.6747 0.4948 0.018 Uiso 1 1 calc R U . . .
C26 C 0.8666(5) 0.6629(5) 0.6626(3) 0.0152(11) Uani 1 1 d . . . . .
H26A H 0.8183 0.6124 0.6641 0.018 Uiso 1 1 calc R U . . .
H26B H 0.8936 0.6502 0.7142 0.018 Uiso 1 1 calc R U . . .
O31 O 0.7150(4) 0.9346(4) 0.4152(3) 0.0198(10) Uani 1 1 d D . . . .
O32 O 0.8921(4) 0.8203(4) 0.7281(3) 0.0213(10) Uani 1 1 d . . . . .
C31 C 0.7110(5) 0.8922(5) 0.4845(4) 0.0162(12) Uani 1 1 d . . . . .
C32 C 0.8274(5) 0.8223(5) 0.6821(3) 0.0175(12) Uani 1 1 d . . . . .
C33 C 0.7257(5) 0.7732(4) 0.6006(3) 0.0137(11) Uani 1 1 d . . . . .
H33 H 0.6798 0.7178 0.6169 0.016 Uiso 1 1 calc R U . . .
C34 C 0.6777(5) 0.8649(4) 0.6158(3) 0.0138(11) Uani 1 1 d . . . . .
H34 H 0.6117 0.8522 0.6441 0.017 Uiso 1 1 calc R U . . .
N31 N 0.7452(4) 0.8015(4) 0.5180(3) 0.0161(10) Uani 1 1 d . . . . .
N32 N 0.6680(4) 0.9298(4) 0.5401(3) 0.0149(10) Uani 1 1 d . . . . .
N33 N 0.7522(4) 0.8914(4) 0.6618(3) 0.0162(10) Uani 1 1 d . . . . .
N34 N 0.8151(4) 0.7554(4) 0.6436(3) 0.0150(10) Uani 1 1 d . . . . .
C35 C 0.6152(5) 1.0219(5) 0.5260(4) 0.0164(12) Uani 1 1 d . . . . .
H35A H 0.5895 1.0387 0.4738 0.020 Uiso 1 1 calc R U . . .
H35B H 0.5569 1.0152 0.5624 0.020 Uiso 1 1 calc R U . . .
C36 C 0.7346(5) 0.9652(5) 0.7014(3) 0.0155(12) Uani 1 1 d . . . . .
H36A H 0.6638 0.9642 0.7195 0.019 Uiso 1 1 calc R U . . .
H36B H 0.7762 0.9498 0.7469 0.019 Uiso 1 1 calc R U . . .
Eu2 Eu 0.46443(2) 0.57306(2) 0.28425(2) 0.01160(6) Uani 0.7 1 d . . P B 1
O21M O 0.5943(4) 0.5660(5) 0.3727(3) 0.0296(13) Uani 1 1 d G . . . .
H21A H 0.5821 0.5767 0.4169 0.044 Uiso 1 1 d G U . B .
H21B H 0.6590 0.5602 0.3693 0.044 Uiso 1 1 d G U . B .
O22M O 0.4904(4) 0.7308(3) 0.2957(3) 0.0205(10) Uani 1 1 d . . . . .
H22A H 0.4918 0.7291 0.3441 0.031 Uiso 1 1 d R U . B .
H22B H 0.4389 0.7683 0.2788 0.031 Uiso 1 1 d R U . . .
O23M O 0.2984(4) 0.6562(4) 0.2719(3) 0.0191(9) Uani 1 1 d . . . . .
H23A H 0.2581 0.6263 0.2503 0.029 Uiso 1 1 d R U . B .
H23B H 0.3031 0.7134 0.2399 0.029 Uiso 1 1 d R U . . .
O24M O 0.3954(4) 0.5059(4) 0.1940(3) 0.0224(10) Uani 1 1 d . . . . .
H24A H 0.3699 0.4505 0.2175 0.034 Uiso 1 1 d R U . B .
H24B H 0.3447 0.5415 0.1734 0.034 Uiso 1 1 d R U . . .
O25M O 0.5174(4) 0.4071(4) 0.3194(3) 0.0251(11) Uani 1 1 d G . . . .
H25C H 0.5420 0.3757 0.2882 0.038 Uiso 1 1 d G U . B .
H25D H 0.5066 0.3631 0.3624 0.038 Uiso 1 1 d G U . B .
N2 N 0.3235(4) 0.5151(4) 0.4132(3) 0.0157(10) Uani 1 1 d . . . . .
O21N O 0.3280(4) 0.4724(3) 0.3600(3) 0.0188(9) Uani 1 1 d . . . . .
O22N O 0.3929(4) 0.5715(4) 0.4124(3) 0.0185(9) Uani 1 1 d . . . . .
O23N O 0.2541(4) 0.5029(4) 0.4612(3) 0.0269(12) Uani 1 1 d . . . . .
O41 O 0.4474(4) 0.6923(4) 0.1593(3) 0.0187(9) Uani 1 1 d . . . . .
O42 O 0.6125(4) 0.8143(4) -0.1711(3) 0.0215(10) Uani 1 1 d . . . . .
C41 C 0.4753(5) 0.7513(4) 0.0995(3) 0.0133(11) Uani 1 1 d . . . . .
C42 C 0.5803(5) 0.8236(5) -0.1091(4) 0.0171(12) Uani 1 1 d . . . . .
C43 C 0.4685(5) 0.8637(4) -0.0201(3) 0.0132(11) Uani 1 1 d . . . . .
H43 H 0.4389 0.9300 -0.0278 0.016 Uiso 1 1 calc R U . . .
C44 C 0.5770(5) 0.8562(4) 0.0088(4) 0.0159(12) Uani 1 1 d . . . . .
H44 H 0.5997 0.9197 0.0124 0.019 Uiso 1 1 calc R U . . .
N41 N 0.4155(4) 0.7941(4) 0.0409(3) 0.0160(10) Uani 1 1 d . . . . .
N42 N 0.5686(4) 0.7867(4) 0.0839(3) 0.0158(10) Uani 1 1 d . . . . .
N43 N 0.6357(4) 0.8231(4) -0.0482(3) 0.0159(10) Uani 1 1 d . . . . .
N44 N 0.4815(4) 0.8392(4) -0.0914(3) 0.0173(11) Uani 1 1 d . . . . .
C45 C 0.6472(5) 0.7622(5) 0.1372(4) 0.0163(12) Uani 1 1 d . . . . .
H45A H 0.6176 0.7484 0.1898 0.020 Uiso 1 1 calc R U . . .
H45B H 0.6908 0.8180 0.1290 0.020 Uiso 1 1 calc R U . . .
C46 C 0.7423(5) 0.8061(5) -0.0465(4) 0.0176(12) Uani 1 1 d . . . . .
H46A H 0.7727 0.8532 -0.0245 0.021 Uiso 1 1 calc R U . . .
H46B H 0.7697 0.8165 -0.0996 0.021 Uiso 1 1 calc R U . . .
O51 O 0.6147(4) 0.5635(3) 0.2162(3) 0.0177(9) Uani 1 1 d . . . . .
O52 O 0.8059(4) 0.6469(4) -0.1040(3) 0.0205(10) Uani 1 1 d . . . . .
C51 C 0.6843(5) 0.5883(5) 0.1684(3) 0.0133(11) Uani 1 1 d . . . . .
C52 C 0.8043(4) 0.6392(5) -0.0349(4) 0.0134(11) Uani 1 1 d . . . . .
C53 C 0.7939(5) 0.6844(5) 0.0784(4) 0.0161(12) Uani 1 1 d . . . . .
H53 H 0.8464 0.7263 0.0880 0.019 Uiso 1 1 calc R U . . .
C54 C 0.8301(5) 0.5778(5) 0.0958(3) 0.0138(11) Uani 1 1 d . . . . .
H54 H 0.8958 0.5667 0.1211 0.017 Uiso 1 1 calc R U . . .
N51 N 0.7073(4) 0.6801(4) 0.1302(3) 0.0160(10) Uani 1 1 d . . . . .
N52 N 0.7498(4) 0.5261(4) 0.1466(3) 0.0144(10) Uani 1 1 d . . . . .
N53 N 0.8375(4) 0.5621(4) 0.0203(3) 0.0162(10) Uani 1 1 d . . . . .
N54 N 0.7700(4) 0.7091(4) -0.0017(3) 0.0153(10) Uani 1 1 d . . . . .
C55 C 0.7571(5) 0.4253(5) 0.1909(4) 0.0172(12) Uani 1 1 d . . . . .
H55A H 0.8269 0.4095 0.2063 0.021 Uiso 1 1 calc R U . . .
H55B H 0.7143 0.4160 0.2380 0.021 Uiso 1 1 calc R U . . .
C56 C 0.8763(5) 0.4746(5) 0.0051(4) 0.0162(12) Uani 1 1 d . . . . .
H56A H 0.8977 0.4892 -0.0496 0.019 Uiso 1 1 calc R U . . .
H56B H 0.9362 0.4526 0.0355 0.019 Uiso 1 1 calc R U . . .
O61 O 0.5888(4) 0.2967(4) 0.2257(3) 0.0222(10) Uani 1 1 d . . . . .
O62 O 0.7634(3) 0.4097(3) -0.1016(2) 0.0153(9) Uani 1 1 d . . . . .
C61 C 0.6514(5) 0.2965(5) 0.1746(3) 0.0137(11) Uani 1 1 d . . . . .
C62 C 0.7642(5) 0.3673(5) -0.0334(3) 0.0132(11) Uani 1 1 d . . . . .
C63 C 0.7976(5) 0.3292(5) 0.0967(3) 0.0138(11) Uani 1 1 d . . . . .
H63 H 0.8640 0.3092 0.1197 0.017 Uiso 1 1 calc R U . . .
C64 C 0.7449(5) 0.2446(4) 0.0809(3) 0.0134(11) Uani 1 1 d . . . . .
H64 H 0.7891 0.1855 0.0911 0.016 Uiso 1 1 calc R U . . .
N61 N 0.7274(4) 0.3597(4) 0.1492(3) 0.0161(10) Uani 1 1 d . . . . .
N62 N 0.6585(5) 0.2310(4) 0.1326(3) 0.0185(11) Uani 1 1 d . . . . .
N63 N 0.7229(4) 0.2801(4) 0.0003(3) 0.0145(10) Uani 1 1 d . . . . .
N64 N 0.8072(4) 0.3972(4) 0.0220(3) 0.0161(10) Uani 1 1 d . . . . .
C65 C 0.5943(5) 0.1491(5) 0.1464(4) 0.0178(12) Uani 1 1 d . . . . .
H65A H 0.6360 0.0913 0.1459 0.021 Uiso 1 1 calc R U . . .
H65B H 0.5618 0.1379 0.1980 0.021 Uiso 1 1 calc R U . . .
C66 C 0.6919(5) 0.2184(5) -0.0438(4) 0.0150(11) Uani 1 1 d . . . . .
H66A H 0.7252 0.1545 -0.0248 0.018 Uiso 1 1 calc R U . . .
H66B H 0.7146 0.2455 -0.0978 0.018 Uiso 1 1 calc R U . . .
N3 N 1.0328(5) 0.7863(5) 0.0077(3) 0.0203(12) Uani 1 1 d . . . . .
O31N O 1.0727(4) 0.8658(4) 0.0003(3) 0.0278(12) Uani 1 1 d . . . . .
O32N O 1.0300(4) 0.7246(4) 0.0713(3) 0.0242(11) Uani 1 1 d . . . . .
O33N O 0.9984(5) 0.7674(4) -0.0487(3) 0.0308(13) Uani 1 1 d . . . . .
N4 N 0.8695(5) 0.5782(5) 0.3295(4) 0.0306(14) Uani 1 1 d . U . . .
O41N O 0.8075(6) 0.5453(6) 0.3816(5) 0.065(2) Uani 1 1 d . U . . .
O42N O 0.8437(5) 0.6352(5) 0.2686(4) 0.0394(15) Uani 1 1 d . U . . .
O43N O 0.9594(5) 0.5556(5) 0.3415(4) 0.0416(16) Uani 1 1 d . U . . .
N5 N 0.5298(4) 0.7225(5) 0.4913(3) 0.0199(11) Uani 1 1 d . . . . .
O51N O 0.5586(5) 0.6383(4) 0.4995(3) 0.0283(12) Uani 1 1 d . . . . .
O52N O 0.5283(5) 0.7822(4) 0.4263(3) 0.0272(11) Uani 1 1 d . . . . .
O53N O 0.5043(4) 0.7512(4) 0.5492(3) 0.0281(12) Uani 1 1 d . . . . .
N6 N 1.3632(5) 0.9242(4) 0.1612(4) 0.0213(12) Uani 1 1 d . . . . .
O61N O 1.3450(5) 0.8607(4) 0.2223(3) 0.0300(12) Uani 1 1 d . . . . .
O62N O 1.4514(5) 0.9483(5) 0.1408(4) 0.0390(15) Uani 1 1 d . . . . .
O63N O 1.2944(5) 0.9655(4) 0.1197(4) 0.0344(14) Uani 1 1 d . . . . .
N7 N 1.021(3) 1.017(3) 0.467(2) 0.086(6) Uani 0.25 1 d D U P C -1
O71N O 1.014(3) 0.952(3) 0.434(3) 0.085(7) Uani 0.25 1 d D U P C -1
O72N O 1.094(2) 1.016(4) 0.507(2) 0.083(7) Uani 0.25 1 d D U P C -1
O73N O 0.966(3) 1.091(3) 0.447(2) 0.090(7) Uani 0.25 1 d D U P C -1
N7A N 0.997(2) 0.966(2) 0.5342(17) 0.085(6) Uani 0.25 1 d D U P D -2
O71A O 0.939(3) 0.952(4) 0.487(3) 0.087(7) Uani 0.25 1 d D U P D -2
O72A O 0.974(3) 1.010(4) 0.583(2) 0.074(8) Uani 0.25 1 d D U P D -2
O73A O 1.082(3) 0.931(4) 0.528(3) 0.086(7) Uani 0.25 1 d D U P D -2
N8 N 0.533(3) 0.487(3) 0.030(2) 0.092(8) Uani 0.25 1 d D U P E -1
O81N O 0.525(4) 0.549(3) 0.067(2) 0.091(8) Uani 0.25 1 d D U P E -1
O82N O 0.473(4) 0.420(3) 0.045(2) 0.093(8) Uani 0.25 1 d D U P E -1
O83N O 0.590(3) 0.501(4) -0.028(2) 0.089(8) Uani 0.25 1 d D U P E -1
N8A N 0.499(3) 0.541(5) -0.032(3) 0.092(8) Uani 0.25 1 d D U P F -2
O81A O 0.589(3) 0.559(4) -0.034(3) 0.091(8) Uani 0.25 1 d D U P F -2
O82A O 0.452(3) 0.563(4) 0.021(2) 0.095(8) Uani 0.25 1 d D U P F -2
O83A O 0.471(4) 0.495(4) -0.076(3) 0.089(8) Uani 0.25 1 d D U P F -2
O1W O 0.8233(5) 1.1801(4) 0.2723(3) 0.0274(12) Uani 1 1 d G . . . .
H1WA H 0.7772 1.1813 0.3072 0.041 Uiso 1 1 d G U . . .
H1WB H 0.8704 1.2150 0.2810 0.041 Uiso 1 1 d G U . . .
O2W O 0.6030(5) 0.9204(5) 0.2542(5) 0.0455(17) Uani 1 1 d G . . . .
H2WA H 0.5806 0.9661 0.2737 0.068 Uiso 1 1 d DG U . . .
H2WB H 0.5641 0.9235 0.2167 0.068 Uiso 1 1 d G U . . .
O3W O 0.5721(5) 1.0699(6) 0.3311(3) 0.0456(18) Uani 1 1 d G . . . .
H3WA H 0.5915 1.0216 0.3685 0.068 Uiso 1 1 d DG U . . .
H3WB H 0.5992 1.1195 0.3392 0.068 Uiso 1 1 d DG U . . .
O4W O 1.1382(4) 0.5664(5) 0.2449(3) 0.0283(12) Uani 1 1 d G . . . .
H4WA H 1.1453 0.5682 0.1968 0.043 Uiso 1 1 d G U . . .
H4WB H 1.0740 0.5663 0.2538 0.043 Uiso 1 1 d G U . . .
O5W O 0.6762(5) 0.6643(4) 0.7768(3) 0.0259(11) Uani 1 1 d G . . . .
H5WA H 0.6349 0.7061 0.7886 0.039 Uiso 1 1 d G U . . .
H5WB H 0.7218 0.6547 0.8107 0.039 Uiso 1 1 d G U . . .
O6W O 0.9965(5) 0.6068(6) 0.8335(3) 0.0387(16) Uani 1 1 d G . . . .
H6WA H 0.9443 0.6412 0.8401 0.058 Uiso 1 1 d G U . . .
H6WB H 1.0156 0.6315 0.7859 0.058 Uiso 1 1 d G U . . .
Ho2 Ho 0.46443(2) 0.57306(2) 0.28425(2) 0.01160(6) Uani 0.3 1 d . . P B 2
Ho1 Ho 0.95203(2) 0.91773(2) 0.22476(2) 0.01163(6) Uani 0.3 1 d . . P A 4


_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 O11M 2.479(5) . ?
Eu1 O12M 2.389(5) . ?
Eu1 H12A 2.8131 . ?
Eu1 H12B 2.8111 . ?
Eu1 O13M 2.405(5) . ?
Eu1 O14M 2.413(5) . ?
Eu1 O15M 2.376(5) . ?
Eu1 H15A 2.7930 . ?
Eu1 H15B 2.7931 . ?
Eu1 O11N 2.467(5) . ?
Eu1 O12N 2.526(5) . ?
Eu1 O11 2.363(4) . ?
Eu1 O21 2.469(4) . ?
O11M H11A 0.8687 . ?
O11M H11B 0.8703 . ?
O11M Ho1 2.479(5) . ?
O12M H12A 0.8805 . ?
O12M H12B 0.8789 . ?
O12M Ho1 2.389(5) . ?
O13M H13A 0.8702 . ?
O13M H13B 0.8696 . ?
O13M Ho1 2.405(5) . ?
O14M H14A 0.8720 . ?
O14M H14B 0.8693 . ?
O14M Ho1 2.413(5) . ?
O15M H15A 0.8747 . ?
O15M H15B 0.8738 . ?
O15M Ho1 2.376(5) . ?
N1 O11N 1.264(8) . ?
N1 O12N 1.266(8) . ?
N1 O13N 1.226(7) . ?
N1 Ho1 2.909(6) . ?
O11N Ho1 2.467(5) . ?
O12N Ho1 2.526(5) . ?
O11 C11 1.219(7) . ?
O11 Ho1 2.363(4) . ?
O12 C12 1.225(8) . ?
C11 N11 1.364(8) . ?
C11 N12 1.354(8) . ?
C12 N13 1.370(8) . ?
C12 N14 1.364(8) . ?
C13 H13 1.0000 . ?
C13 C14 1.550(9) . ?
C13 N11 1.466(8) . ?
C13 N14 1.436(8) . ?
C14 H14 1.0000 . ?
C14 N12 1.457(8) . ?
C14 N13 1.456(7) . ?
N11 C36 1.452(8) 2_776 ?
N12 C15 1.448(8) . ?
N13 C16 1.448(8) . ?
N14 C35 1.433(8) 2_776 ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C15 N21 1.439(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 N24 1.462(8) . ?
O21 C21 1.229(7) . ?
O21 Ho1 2.469(4) . ?
O22 C22 1.236(8) . ?
C21 N21 1.360(8) . ?
C21 N22 1.363(8) . ?
C22 N23 1.366(9) . ?
C22 N24 1.370(8) . ?
C23 H23 1.0000 . ?
C23 C24 1.571(9) . ?
C23 N21 1.449(7) . ?
C23 N24 1.452(8) . ?
C24 H24 1.0000 . ?
C24 N22 1.460(8) . ?
C24 N23 1.428(8) . ?
N22 C25 1.455(8) . ?
N23 C26 1.454(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 N31 1.442(8) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 N34 1.443(8) . ?
O31 C31 1.240(7) . ?
O32 C32 1.227(8) . ?
C31 N31 1.358(8) . ?
C31 N32 1.372(8) . ?
C32 N33 1.380(9) . ?
C32 N34 1.364(8) . ?
C33 H33 1.0000 . ?
C33 C34 1.541(9) . ?
C33 N31 1.457(8) . ?
C33 N34 1.440(8) . ?
C34 H34 1.0000 . ?
C34 N32 1.445(8) . ?
C34 N33 1.461(8) . ?
N32 C35 1.449(8) . ?
N33 C36 1.453(8) . ?
C35 N14 1.433(8) 2_776 ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 N11 1.452(8) 2_776 ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
Eu2 O21M 2.408(5) . ?
Eu2 O22M 2.392(5) . ?
Eu2 H22A 2.8115 . ?
Eu2 H22B 2.8102 . ?
Eu2 O23M 2.479(5) . ?
Eu2 O24M 2.368(5) . ?
Eu2 H24A 2.7865 . ?
Eu2 H24B 2.7828 . ?
Eu2 O25M 2.398(5) . ?
Eu2 O21N 2.495(5) . ?
Eu2 O22N 2.475(5) . ?
Eu2 O41 2.458(5) . ?
Eu2 O51 2.334(5) . ?
O21M H21A 0.8690 . ?
O21M H21B 0.8691 . ?
O21M Ho2 2.408(5) . ?
O22M H22A 0.8756 . ?
O22M H22B 0.8747 . ?
O22M Ho2 2.392(5) . ?
O23M H23A 0.8752 . ?
O23M H23B 0.8734 . ?
O23M Ho2 2.479(5) . ?
O24M H24A 0.8719 . ?
O24M H24B 0.8706 . ?
O24M Ho2 2.368(5) . ?
O25M H25C 0.8680 . ?
O25M H25D 0.8710 . ?
O25M Ho2 2.398(5) . ?
N2 O21N 1.284(7) . ?
N2 O22N 1.260(7) . ?
N2 O23N 1.229(7) . ?
N2 Ho2 2.898(6) . ?
O21N Ho2 2.495(5) . ?
O22N Ho2 2.475(5) . ?
O41 C41 1.235(7) . ?
O41 Ho2 2.458(5) . ?
O42 C42 1.229(8) . ?
C41 N41 1.356(8) . ?
C41 N42 1.358(8) . ?
C42 N43 1.363(9) . ?
C42 N44 1.374(9) . ?
C43 H43 1.0000 . ?
C43 C44 1.560(9) . ?
C43 N41 1.454(8) . ?
C43 N44 1.439(8) . ?
C44 H44 1.0000 . ?
C44 N42 1.458(8) . ?
C44 N43 1.447(8) . ?
N41 C66 1.455(8) 2_665 ?
N42 C45 1.434(8) . ?
N43 C46 1.442(8) . ?
N44 C65 1.432(9) 2_665 ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 N51 1.442(8) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 N54 1.460(9) . ?
O51 C51 1.238(8) . ?
O51 Ho2 2.334(5) . ?
O52 C52 1.231(8) . ?
C51 N51 1.359(8) . ?
C51 N52 1.358(8) . ?
C52 N53 1.355(8) . ?
C52 N54 1.371(8) . ?
C53 H53 1.0000 . ?
C53 C54 1.551(9) . ?
C53 N51 1.452(8) . ?
C53 N54 1.451(8) . ?
C54 H54 1.0000 . ?
C54 N52 1.468(8) . ?
C54 N53 1.453(8) . ?
N52 C55 1.461(8) . ?
N53 C56 1.443(8) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 N61 1.448(8) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 N64 1.440(8) . ?
O61 C61 1.224(8) . ?
O62 C62 1.225(7) . ?
C61 N61 1.373(8) . ?
C61 N62 1.373(8) . ?
C62 N63 1.367(8) . ?
C62 N64 1.361(8) . ?
C63 H63 1.0000 . ?
C63 C64 1.538(9) . ?
C63 N61 1.454(8) . ?
C63 N64 1.444(8) . ?
C64 H64 1.0000 . ?
C64 N62 1.442(8) . ?
C64 N63 1.455(8) . ?
N62 C65 1.452(9) . ?
N63 C66 1.442(8) . ?
C65 N44 1.432(9) 2_665 ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 N41 1.455(8) 2_665 ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
N3 O31N 1.259(8) . ?
N3 O32N 1.251(8) . ?
N3 O33N 1.248(8) . ?
N4 O41N 1.235(9) . ?
N4 O42N 1.239(9) . ?
N4 O43N 1.249(9) . ?
N5 O51N 1.236(8) . ?
N5 O52N 1.258(7) . ?
N5 O53N 1.265(8) . ?
N6 O61N 1.252(8) . ?
N6 O62N 1.255(9) . ?
N6 O63N 1.246(8) . ?
N7 O71N 1.252(12) . ?
N7 O72N 1.249(12) . ?
N7 O73N 1.252(12) . ?
N7A O71A 1.247(12) . ?
N7A O72A 1.251(12) . ?
N7A O73A 1.250(12) . ?
N8 O81N 1.251(12) . ?
N8 O82N 1.251(12) . ?
N8 O83N 1.248(12) . ?
N8A O81A 1.250(12) . ?
N8A O82A 1.248(12) . ?
N8A O83A 1.251(12) . ?
O1W H1WA 0.8690 . ?
O1W H1WB 0.8712 . ?
O2W H2WA 0.8707 . ?
O2W H2WB 0.8701 . ?
O3W H3WA 0.8715 . ?
O3W H3WB 0.8700 . ?
O4W H4WA 0.8698 . ?
O4W H4WB 0.8689 . ?
O5W H5WA 0.8684 . ?
O5W H5WB 0.8702 . ?
O6W H6WA 0.8672 . ?
O6W H6WB 0.8707 . ?

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
O11M Eu1 H12A 59.5 . . ?
O11M Eu1 H12B 83.0 . . ?
O11M Eu1 H15A 82.1 . . ?
O11M Eu1 H15B 64.4 . . ?
O11M Eu1 O12N 69.45(18) . . ?
O12M Eu1 O11M 76.55(18) . . ?
O12M Eu1 H12A 17.1 . . ?
O12M Eu1 H12B 17.1 . . ?
O12M Eu1 O13M 70.67(19) . . ?
O12M Eu1 O14M 144.58(18) . . ?
O12M Eu1 H15A 154.3 . . ?
O12M Eu1 H15B 126.1 . . ?
O12M Eu1 O11N 120.08(17) . . ?
O12M Eu1 O12N 72.46(17) . . ?
O12M Eu1 O21 73.55(16) . . ?
H12A Eu1 H12B 28.5 . . ?
H12A Eu1 H15A 138.8 . . ?
H12A Eu1 H15B 112.4 . . ?
H12B Eu1 H15A 165.0 . . ?
H12B Eu1 H15B 141.0 . . ?
O13M Eu1 O11M 132.61(18) . . ?
O13M Eu1 H12A 85.5 . . ?
O13M Eu1 H12B 57.0 . . ?
O13M Eu1 O14M 74.3(2) . . ?
O13M Eu1 H15A 135.1 . . ?
O13M Eu1 H15B 161.5 . . ?
O13M Eu1 O11N 101.14(19) . . ?
O13M Eu1 O12N 68.62(18) . . ?
O13M Eu1 O21 130.62(19) . . ?
O14M Eu1 O11M 134.01(18) . . ?
O14M Eu1 H12A 159.4 . . ?
O14M Eu1 H12B 130.9 . . ?
O14M Eu1 H15A 61.0 . . ?
O14M Eu1 H15B 88.1 . . ?
O14M Eu1 O11N 71.43(17) . . ?
O14M Eu1 O12N 99.33(17) . . ?
O14M Eu1 O21 129.56(16) . . ?
O15M Eu1 O11M 80.5(2) . . ?
O15M Eu1 O12M 140.92(17) . . ?
O15M Eu1 H12A 128.9 . . ?
O15M Eu1 H12B 157.2 . . ?
O15M Eu1 O13M 144.36(19) . . ?
O15M Eu1 O14M 71.69(18) . . ?
O15M Eu1 H15A 17.2 . . ?
O15M Eu1 H15B 17.1 . . ?
O15M Eu1 O11N 77.8(2) . . ?
O15M Eu1 O12N 127.2(2) . . ?
O15M Eu1 O21 68.44(18) . . ?
H15A Eu1 H15B 28.7 . . ?
O11N Eu1 O11M 67.29(17) . . ?
O11N Eu1 H12A 109.8 . . ?
O11N Eu1 H12B 109.9 . . ?
O11N Eu1 H15A 62.5 . . ?
O11N Eu1 H15B 77.9 . . ?
O11N Eu1 O12N 51.03(17) . . ?
O11N Eu1 O21 126.18(16) . . ?
O12N Eu1 H12A 69.1 . . ?
O12N Eu1 H12B 59.4 . . ?
O12N Eu1 H15A 113.3 . . ?
O12N Eu1 H15B 121.1 . . ?
O11 Eu1 O11M 141.48(16) . . ?
O11 Eu1 O12M 90.49(17) . . ?
O11 Eu1 H12A 103.5 . . ?
O11 Eu1 H12B 95.2 . . ?
O11 Eu1 O13M 72.64(17) . . ?
O11 Eu1 O14M 74.31(17) . . ?
O11 Eu1 O15M 88.2(2) . . ?
O11 Eu1 H15A 97.4 . . ?
O11 Eu1 H15B 97.5 . . ?
O11 Eu1 O11N 145.54(16) . . ?
O11 Eu1 O12N 140.95(17) . . ?
O11 Eu1 O21 74.81(16) . . ?
O21 Eu1 O11M 66.77(16) . . ?
O21 Eu1 H12A 67.3 . . ?
O21 Eu1 H12B 90.7 . . ?
O21 Eu1 H15A 84.9 . . ?
O21 Eu1 H15B 57.9 . . ?
O21 Eu1 O12N 129.26(17) . . ?
Eu1 O11M H11A 129.4 . . ?
Eu1 O11M H11B 120.8 . . ?
H11A O11M H11B 104.6 . . ?
Ho1 O11M H11A 129.4 . . ?
Ho1 O11M H11B 120.8 . . ?
Eu1 O12M H12A 109.9 . . ?
Eu1 O12M H12B 109.8 . . ?
H12A O12M H12B 104.0 . . ?
Ho1 O12M H12A 109.9 . . ?
Ho1 O12M H12B 109.8 . . ?
Eu1 O13M H13A 121.8 . . ?
Eu1 O13M H13B 128.5 . . ?
H13A O13M H13B 104.7 . . ?
Ho1 O13M H13A 121.8 . . ?
Ho1 O13M H13B 128.5 . . ?
Eu1 O14M H14A 130.7 . . ?
Eu1 O14M H14B 124.7 . . ?
H14A O14M H14B 104.5 . . ?
Ho1 O14M H14A 130.7 . . ?
Ho1 O14M H14B 124.7 . . ?
Eu1 O15M H15A 109.5 . . ?
Eu1 O15M H15B 109.6 . . ?
H15A O15M H15B 104.5 . . ?
Ho1 O15M H15A 109.5 . . ?
Ho1 O15M H15B 109.6 . . ?
O11N N1 Eu1 57.3(3) . . ?
O11N N1 O12N 116.5(5) . . ?
O11N N1 Ho1 57.3(3) . . ?
O12N N1 Eu1 60.0(3) . . ?
O12N N1 Ho1 60.0(3) . . ?
O13N N1 Eu1 170.6(5) . . ?
O13N N1 O11N 121.1(6) . . ?
O13N N1 O12N 122.3(6) . . ?
O13N N1 Ho1 170.6(5) . . ?
N1 O11N Eu1 97.2(4) . . ?
N1 O11N Ho1 97.2(4) . . ?
N1 O12N Eu1 94.3(4) . . ?
N1 O12N Ho1 94.3(4) . . ?
C11 O11 Eu1 157.9(4) . . ?
C11 O11 Ho1 157.9(4) . . ?
O11 C11 N11 124.6(6) . . ?
O11 C11 N12 126.3(6) . . ?
N12 C11 N11 109.1(5) . . ?
O12 C12 N13 126.4(6) . . ?
O12 C12 N14 125.4(6) . . ?
N14 C12 N13 108.2(5) . . ?
C14 C13 H13 111.7 . . ?
N11 C13 H13 111.7 . . ?
N11 C13 C14 103.9(5) . . ?
N14 C13 H13 111.7 . . ?
N14 C13 C14 103.2(5) . . ?
N14 C13 N11 114.1(5) . . ?
C13 C14 H14 111.9 . . ?
N12 C14 C13 102.0(5) . . ?
N12 C14 H14 111.9 . . ?
N13 C14 C13 103.1(5) . . ?
N13 C14 H14 111.9 . . ?
N13 C14 N12 115.2(5) . . ?
C11 N11 C13 111.1(5) . . ?
C11 N11 C36 123.5(5) . 2_776 ?
C36 N11 C13 121.9(5) 2_776 . ?
C11 N12 C14 113.2(5) . . ?
C11 N12 C15 123.8(5) . . ?
C15 N12 C14 123.0(5) . . ?
C12 N13 C14 111.5(5) . . ?
C12 N13 C16 121.9(5) . . ?
C16 N13 C14 124.1(5) . . ?
C12 N14 C13 113.0(5) . . ?
C12 N14 C35 123.8(5) . 2_776 ?
C35 N14 C13 122.5(5) 2_776 . ?
N12 C15 H15C 109.0 . . ?
N12 C15 H15D 109.0 . . ?
H15C C15 H15D 107.8 . . ?
N21 C15 N12 112.9(5) . . ?
N21 C15 H15C 109.0 . . ?
N21 C15 H15D 109.0 . . ?
N13 C16 H16A 109.1 . . ?
N13 C16 H16B 109.1 . . ?
N13 C16 N24 112.4(5) . . ?
H16A C16 H16B 107.9 . . ?
N24 C16 H16A 109.1 . . ?
N24 C16 H16B 109.1 . . ?
C21 O21 Eu1 157.3(5) . . ?
C21 O21 Ho1 157.3(5) . . ?
O21 C21 N21 125.4(6) . . ?
O21 C21 N22 125.4(6) . . ?
N21 C21 N22 109.1(5) . . ?
O22 C22 N23 125.8(6) . . ?
O22 C22 N24 125.4(6) . . ?
N23 C22 N24 108.7(5) . . ?
C24 C23 H23 112.2 . . ?
N21 C23 H23 112.2 . . ?
N21 C23 C24 102.2(5) . . ?
N21 C23 N24 114.4(5) . . ?
N24 C23 H23 112.2 . . ?
N24 C23 C24 102.8(5) . . ?
C23 C24 H24 111.5 . . ?
N22 C24 C23 103.0(5) . . ?
N22 C24 H24 111.5 . . ?
N23 C24 C23 102.8(5) . . ?
N23 C24 H24 111.5 . . ?
N23 C24 N22 115.7(5) . . ?
C15 N21 C23 124.8(5) . . ?
C21 N21 C15 122.1(5) . . ?
C21 N21 C23 113.0(5) . . ?
C21 N22 C24 111.6(5) . . ?
C21 N22 C25 121.5(5) . . ?
C25 N22 C24 122.5(5) . . ?
C22 N23 C24 112.9(5) . . ?
C22 N23 C26 122.6(6) . . ?
C24 N23 C26 124.4(6) . . ?
C22 N24 C16 123.6(6) . . ?
C22 N24 C23 111.2(5) . . ?
C23 N24 C16 123.0(5) . . ?
N22 C25 H25A 108.8 . . ?
N22 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
N31 C25 N22 113.7(5) . . ?
N31 C25 H25A 108.8 . . ?
N31 C25 H25B 108.8 . . ?
N23 C26 H26A 109.1 . . ?
N23 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?
N34 C26 N23 112.6(5) . . ?
N34 C26 H26A 109.1 . . ?
N34 C26 H26B 109.1 . . ?
O31 C31 N31 126.7(6) . . ?
O31 C31 N32 124.8(6) . . ?
N31 C31 N32 108.6(5) . . ?
O32 C32 N33 126.1(6) . . ?
O32 C32 N34 126.2(6) . . ?
N34 C32 N33 107.7(6) . . ?
C34 C33 H33 111.7 . . ?
N31 C33 H33 111.7 . . ?
N31 C33 C34 103.2(5) . . ?
N34 C33 H33 111.7 . . ?
N34 C33 C34 104.8(5) . . ?
N34 C33 N31 113.4(5) . . ?
C33 C34 H34 111.9 . . ?
N32 C34 C33 103.6(5) . . ?
N32 C34 H34 111.9 . . ?
N32 C34 N33 114.9(5) . . ?
N33 C34 C33 102.0(5) . . ?
N33 C34 H34 111.9 . . ?
C25 N31 C33 124.3(5) . . ?
C31 N31 C25 122.8(5) . . ?
C31 N31 C33 112.2(5) . . ?
C31 N32 C34 112.2(5) . . ?
C31 N32 C35 124.9(5) . . ?
C34 N32 C35 122.9(5) . . ?
C32 N33 C34 112.6(5) . . ?
C32 N33 C36 121.6(5) . . ?
C36 N33 C34 123.3(5) . . ?
C32 N34 C26 122.9(5) . . ?
C32 N34 C33 112.4(5) . . ?
C33 N34 C26 122.1(5) . . ?
N14 C35 N32 115.0(5) 2_776 . ?
N14 C35 H35A 108.5 2_776 . ?
N14 C35 H35B 108.5 2_776 . ?
N32 C35 H35A 108.5 . . ?
N32 C35 H35B 108.5 . . ?
H35A C35 H35B 107.5 . . ?
N11 C36 N33 113.5(5) 2_776 . ?
N11 C36 H36A 108.9 2_776 . ?
N11 C36 H36B 108.9 2_776 . ?
N33 C36 H36A 108.9 . . ?
N33 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
O21M Eu2 H22A 59.7 . . ?
O21M Eu2 H22B 86.8 . . ?
O21M Eu2 O23M 131.00(18) . . ?
O21M Eu2 H24A 138.9 . . ?
O21M Eu2 H24B 164.7 . . ?
O21M Eu2 O21N 105.70(19) . . ?
O21M Eu2 O22N 68.99(17) . . ?
O21M Eu2 O41 126.1(2) . . ?
O22M Eu2 O21M 70.5(2) . . ?
O22M Eu2 H22A 17.0 . . ?
O22M Eu2 H22B 17.0 . . ?
O22M Eu2 O23M 73.88(18) . . ?
O22M Eu2 H24A 150.5 . . ?
O22M Eu2 H24B 122.1 . . ?
O22M Eu2 O25M 146.77(19) . . ?
O22M Eu2 O21N 120.95(16) . . ?
O22M Eu2 O22N 75.09(16) . . ?
O22M Eu2 O41 70.00(17) . . ?
H22A Eu2 H22B 28.5 . . ?
H22A Eu2 H24A 159.4 . . ?
H22A Eu2 H24B 134.6 . . ?
H22B Eu2 H24A 134.3 . . ?
H22B Eu2 H24B 106.7 . . ?
O23M Eu2 H22A 76.9 . . ?
O23M Eu2 H22B 57.6 . . ?
O23M Eu2 H24A 82.5 . . ?
O23M Eu2 H24B 64.0 . . ?
O23M Eu2 O21N 66.40(16) . . ?
O24M Eu2 O21M 147.7(2) . . ?
O24M Eu2 O22M 136.69(17) . . ?
O24M Eu2 H22A 151.1 . . ?
O24M Eu2 H22B 122.7 . . ?
O24M Eu2 O23M 80.22(18) . . ?
O24M Eu2 H24A 17.1 . . ?
O24M Eu2 H24B 17.2 . . ?
O24M Eu2 O25M 74.36(19) . . ?
O24M Eu2 O21N 76.83(17) . . ?
O24M Eu2 O22N 127.08(17) . . ?
O24M Eu2 O41 68.24(17) . . ?
H24A Eu2 H24B 28.7 . . ?
O25M Eu2 O21M 76.4(2) . . ?
O25M Eu2 H22A 134.5 . . ?
O25M Eu2 H22B 162.9 . . ?
O25M Eu2 O23M 133.45(19) . . ?
O25M Eu2 H24A 62.6 . . ?
O25M Eu2 H24B 90.4 . . ?
O25M Eu2 O21N 70.16(17) . . ?
O25M Eu2 O22N 95.37(16) . . ?
O25M Eu2 O41 132.18(17) . . ?
O21N Eu2 H22A 109.1 . . ?
O21N Eu2 H22B 112.7 . . ?
O21N Eu2 H24A 62.0 . . ?
O21N Eu2 H24B 76.2 . . ?
O22N Eu2 H22A 59.8 . . ?
O22N Eu2 H22B 75.6 . . ?
O22N Eu2 O23M 70.13(16) . . ?
O22N Eu2 H24A 113.4 . . ?
O22N Eu2 H24B 120.7 . . ?
O22N Eu2 O21N 51.53(15) . . ?
O41 Eu2 H22A 86.8 . . ?
O41 Eu2 H22B 61.1 . . ?
O41 Eu2 O23M 67.72(16) . . ?
O41 Eu2 H24A 84.9 . . ?
O41 Eu2 H24B 58.5 . . ?
O41 Eu2 O21N 125.72(16) . . ?
O41 Eu2 O22N 130.87(17) . . ?
O51 Eu2 O21M 74.16(18) . . ?
O51 Eu2 O22M 95.01(17) . . ?
O51 Eu2 H22A 103.1 . . ?
O51 Eu2 H22B 104.9 . . ?
O51 Eu2 O23M 142.05(16) . . ?
O51 Eu2 O24M 84.53(18) . . ?
O51 Eu2 H24A 92.8 . . ?
O51 Eu2 H24B 95.0 . . ?
O51 Eu2 O25M 73.41(17) . . ?
O51 Eu2 O21N 142.32(16) . . ?
O51 Eu2 O22N 143.08(17) . . ?
O51 Eu2 O41 74.36(17) . . ?
Eu2 O21M H21A 122.0 . . ?
Eu2 O21M H21B 133.4 . . ?
H21A O21M H21B 104.3 . . ?
Ho2 O21M H21A 122.0 . . ?
Ho2 O21M H21B 133.4 . . ?
Eu2 O22M H22A 109.8 . . ?
Eu2 O22M H22B 109.7 . . ?
H22A O22M H22B 104.4 . . ?
Ho2 O22M H22A 109.8 . . ?
Ho2 O22M H22B 109.7 . . ?
Eu2 O23M H23A 109.5 . . ?
Eu2 O23M H23B 109.7 . . ?
H23A O23M H23B 104.4 . . ?
Ho2 O23M H23A 109.5 . . ?
Ho2 O23M H23B 109.7 . . ?
Eu2 O24M H24A 109.7 . . ?
Eu2 O24M H24B 109.5 . . ?
H24A O24M H24B 104.5 . . ?
Ho2 O24M H24A 109.7 . . ?
Ho2 O24M H24B 109.5 . . ?
Eu2 O25M H25C 125.5 . . ?
Eu2 O25M H25D 128.9 . . ?
H25C O25M H25D 104.6 . . ?
Ho2 O25M H25C 125.5 . . ?
Ho2 O25M H25D 128.9 . . ?
O21N N2 Eu2 59.1(3) . . ?
O21N N2 Ho2 59.1(3) . . ?
O22N N2 Eu2 58.1(3) . . ?
O22N N2 O21N 116.2(5) . . ?
O22N N2 Ho2 58.1(3) . . ?
O23N N2 Eu2 169.4(5) . . ?
O23N N2 O21N 121.7(6) . . ?
O23N N2 O22N 122.0(6) . . ?
O23N N2 Ho2 169.4(5) . . ?
N2 O21N Eu2 94.7(3) . . ?
N2 O21N Ho2 94.7(3) . . ?
N2 O22N Eu2 96.3(4) . . ?
N2 O22N Ho2 96.3(4) . . ?
C41 O41 Eu2 157.0(5) . . ?
C41 O41 Ho2 157.0(5) . . ?
O41 C41 N41 124.8(6) . . ?
O41 C41 N42 125.4(6) . . ?
N41 C41 N42 109.7(5) . . ?
O42 C42 N43 126.3(6) . . ?
O42 C42 N44 124.7(7) . . ?
N43 C42 N44 109.0(6) . . ?
C44 C43 H43 111.5 . . ?
N41 C43 H43 111.5 . . ?
N41 C43 C44 103.1(5) . . ?
N44 C43 H43 111.5 . . ?
N44 C43 C44 103.2(5) . . ?
N44 C43 N41 115.4(5) . . ?
C43 C44 H44 111.6 . . ?
N42 C44 C43 103.0(5) . . ?
N42 C44 H44 111.6 . . ?
N43 C44 C43 103.6(5) . . ?
N43 C44 H44 111.6 . . ?
N43 C44 N42 114.9(5) . . ?
C41 N41 C43 112.2(5) . . ?
C41 N41 C66 123.5(5) . 2_665 ?
C43 N41 C66 123.8(5) . 2_665 ?
C41 N42 C44 111.9(5) . . ?
C41 N42 C45 123.5(5) . . ?
C45 N42 C44 124.5(5) . . ?
C42 N43 C44 111.4(5) . . ?
C42 N43 C46 123.7(6) . . ?
C46 N43 C44 124.3(6) . . ?
C42 N44 C43 111.9(6) . . ?
C42 N44 C65 122.0(6) . 2_665 ?
C65 N44 C43 124.6(6) 2_665 . ?
N42 C45 H45A 109.0 . . ?
N42 C45 H45B 109.0 . . ?
N42 C45 N51 113.0(5) . . ?
H45A C45 H45B 107.8 . . ?
N51 C45 H45A 109.0 . . ?
N51 C45 H45B 109.0 . . ?
N43 C46 H46A 109.1 . . ?
N43 C46 H46B 109.1 . . ?
N43 C46 N54 112.5(5) . . ?
H46A C46 H46B 107.8 . . ?
N54 C46 H46A 109.1 . . ?
N54 C46 H46B 109.1 . . ?
C51 O51 Eu2 159.4(5) . . ?
C51 O51 Ho2 159.4(5) . . ?
O51 C51 N51 126.0(6) . . ?
O51 C51 N52 124.3(6) . . ?
N52 C51 N51 109.7(5) . . ?
O52 C52 N53 126.1(6) . . ?
O52 C52 N54 124.9(6) . . ?
N53 C52 N54 109.0(5) . . ?
C54 C53 H53 111.9 . . ?
N51 C53 H53 111.9 . . ?
N51 C53 C54 103.0(5) . . ?
N54 C53 H53 111.9 . . ?
N54 C53 C54 103.5(5) . . ?
N54 C53 N51 114.0(5) . . ?
C53 C54 H54 111.8 . . ?
N52 C54 C53 103.2(5) . . ?
N52 C54 H54 111.8 . . ?
N53 C54 C53 102.7(5) . . ?
N53 C54 H54 111.8 . . ?
N53 C54 N52 114.9(5) . . ?
C45 N51 C53 124.8(5) . . ?
C51 N51 C45 122.8(5) . . ?
C51 N51 C53 112.2(5) . . ?
C51 N52 C54 111.1(5) . . ?
C51 N52 C55 120.8(5) . . ?
C55 N52 C54 124.4(5) . . ?
C52 N53 C54 112.5(5) . . ?
C52 N53 C56 123.3(5) . . ?
C56 N53 C54 124.2(5) . . ?
C52 N54 C46 122.5(5) . . ?
C52 N54 C53 111.2(5) . . ?
C53 N54 C46 123.7(5) . . ?
N52 C55 H55A 108.9 . . ?
N52 C55 H55B 108.9 . . ?
H55A C55 H55B 107.8 . . ?
N61 C55 N52 113.2(5) . . ?
N61 C55 H55A 108.9 . . ?
N61 C55 H55B 108.9 . . ?
N53 C56 H56A 108.5 . . ?
N53 C56 H56B 108.5 . . ?
H56A C56 H56B 107.5 . . ?
N64 C56 N53 114.9(5) . . ?
N64 C56 H56A 108.5 . . ?
N64 C56 H56B 108.5 . . ?
O61 C61 N61 127.1(6) . . ?
O61 C61 N62 125.5(6) . . ?
N62 C61 N61 107.4(5) . . ?
O62 C62 N63 125.5(6) . . ?
O62 C62 N64 126.5(6) . . ?
N64 C62 N63 108.1(5) . . ?
C64 C63 H63 111.9 . . ?
N61 C63 H63 111.9 . . ?
N61 C63 C64 102.9(5) . . ?
N64 C63 H63 111.9 . . ?
N64 C63 C64 103.4(5) . . ?
N64 C63 N61 114.1(5) . . ?
C63 C64 H64 111.5 . . ?
N62 C64 C63 103.9(5) . . ?
N62 C64 H64 111.5 . . ?
N62 C64 N63 114.7(5) . . ?
N63 C64 C63 103.2(5) . . ?
N63 C64 H64 111.5 . . ?
C55 N61 C63 120.7(6) . . ?
C61 N61 C55 122.8(5) . . ?
C61 N61 C63 112.4(5) . . ?
C61 N62 C64 112.6(5) . . ?
C61 N62 C65 123.4(6) . . ?
C64 N62 C65 123.4(6) . . ?
C62 N63 C64 112.1(5) . . ?
C62 N63 C66 122.1(5) . . ?
C66 N63 C64 122.7(5) . . ?
C56 N64 C63 122.4(5) . . ?
C62 N64 C56 122.9(5) . . ?
C62 N64 C63 112.8(5) . . ?
N44 C65 N62 113.6(5) 2_665 . ?
N44 C65 H65A 108.8 2_665 . ?
N44 C65 H65B 108.8 2_665 . ?
N62 C65 H65A 108.8 . . ?
N62 C65 H65B 108.8 . . ?
H65A C65 H65B 107.7 . . ?
N41 C66 H66A 108.8 2_665 . ?
N41 C66 H66B 108.8 2_665 . ?
N63 C66 N41 114.0(5) . 2_665 ?
N63 C66 H66A 108.8 . . ?
N63 C66 H66B 108.8 . . ?
H66A C66 H66B 107.6 . . ?
O32N N3 O31N 120.3(6) . . ?
O33N N3 O31N 120.2(6) . . ?
O33N N3 O32N 119.5(6) . . ?
O41N N4 O42N 120.9(8) . . ?
O41N N4 O43N 117.9(7) . . ?
O42N N4 O43N 121.2(7) . . ?
O51N N5 O52N 121.3(6) . . ?
O51N N5 O53N 120.1(6) . . ?
O52N N5 O53N 118.6(6) . . ?
O61N N6 O62N 120.6(7) . . ?
O63N N6 O61N 120.8(7) . . ?
O63N N6 O62N 118.5(7) . . ?
O72N N7 O71N 119.5(9) . . ?
O72N N7 O73N 119.7(9) . . ?
O73N N7 O71N 119.2(9) . . ?
O71A N7A O72A 125(4) . . ?
O71A N7A O73A 112(3) . . ?
O73A N7A O72A 123(4) . . ?
O82N N8 O81N 119.5(9) . . ?
O83N N8 O81N 119.7(9) . . ?
O83N N8 O82N 119.8(9) . . ?
O81A N8A O83A 118(4) . . ?
O82A N8A O81A 112(4) . . ?
O82A N8A O83A 130(5) . . ?
H1WA O1W H1WB 104.4 . . ?
H2WA O2W H2WB 104.5 . . ?
H3WA O3W H3WB 104.5 . . ?
H4WA O4W H4WB 104.3 . . ?
H5WA O5W H5WB 104.3 . . ?
H6WA O6W H6WB 104.4 . . ?
O21M Ho2 O23M 131.00(18) . . ?
O21M Ho2 O21N 105.70(19) . . ?
O21M Ho2 O22N 68.99(17) . . ?
O21M Ho2 O41 126.1(2) . . ?
O22M Ho2 O21M 70.5(2) . . ?
O22M Ho2 O23M 73.88(18) . . ?
O22M Ho2 O25M 146.77(19) . . ?
O22M Ho2 O21N 120.95(16) . . ?
O22M Ho2 O22N 75.09(16) . . ?
O22M Ho2 O41 70.00(17) . . ?
O23M Ho2 O21N 66.40(16) . . ?
O24M Ho2 O21M 147.7(2) . . ?
O24M Ho2 O22M 136.69(17) . . ?
O24M Ho2 O23M 80.22(18) . . ?
O24M Ho2 O25M 74.36(19) . . ?
O24M Ho2 O21N 76.83(17) . . ?
O24M Ho2 O22N 127.08(17) . . ?
O24M Ho2 O41 68.24(17) . . ?
O25M Ho2 O21M 76.4(2) . . ?
O25M Ho2 O23M 133.45(19) . . ?
O25M Ho2 O21N 70.16(17) . . ?
O25M Ho2 O22N 95.37(16) . . ?
O25M Ho2 O41 132.18(17) . . ?
O22N Ho2 O23M 70.13(16) . . ?
O22N Ho2 O21N 51.53(15) . . ?
O41 Ho2 O23M 67.72(16) . . ?
O41 Ho2 O21N 125.72(16) . . ?
O41 Ho2 O22N 130.87(17) . . ?
O51 Ho2 O21M 74.16(18) . . ?
O51 Ho2 O22M 95.01(17) . . ?
O51 Ho2 O23M 142.05(16) . . ?
O51 Ho2 O24M 84.53(18) . . ?
O51 Ho2 O25M 73.41(17) . . ?
O51 Ho2 O21N 142.32(16) . . ?
O51 Ho2 O22N 143.08(17) . . ?
O51 Ho2 O41 74.36(17) . . ?
O11M Ho1 O12N 69.45(18) . . ?
O12M Ho1 O11M 76.55(18) . . ?
O12M Ho1 O13M 70.67(19) . . ?
O12M Ho1 O14M 144.58(18) . . ?
O12M Ho1 O11N 120.08(17) . . ?
O12M Ho1 O12N 72.46(17) . . ?
O12M Ho1 O21 73.55(16) . . ?
O13M Ho1 O11M 132.61(18) . . ?
O13M Ho1 O14M 74.3(2) . . ?
O13M Ho1 O11N 101.14(19) . . ?
O13M Ho1 O12N 68.62(18) . . ?
O13M Ho1 O21 130.62(19) . . ?
O14M Ho1 O11M 134.01(18) . . ?
O14M Ho1 O11N 71.43(17) . . ?
O14M Ho1 O12N 99.33(17) . . ?
O14M Ho1 O21 129.56(16) . . ?
O15M Ho1 O11M 80.5(2) . . ?
O15M Ho1 O12M 140.92(17) . . ?
O15M Ho1 O13M 144.36(19) . . ?
O15M Ho1 O14M 71.69(18) . . ?
O15M Ho1 O11N 77.8(2) . . ?
O15M Ho1 O12N 127.2(2) . . ?
O15M Ho1 O21 68.44(18) . . ?
O11N Ho1 O11M 67.29(17) . . ?
O11N Ho1 O12N 51.03(17) . . ?
O11N Ho1 O21 126.18(16) . . ?
O11 Ho1 O11M 141.48(16) . . ?
O11 Ho1 O12M 90.49(17) . . ?
O11 Ho1 O13M 72.64(17) . . ?
O11 Ho1 O14M 74.31(17) . . ?
O11 Ho1 O15M 88.2(2) . . ?
O11 Ho1 O11N 145.54(16) . . ?
O11 Ho1 O12N 140.95(17) . . ?
O11 Ho1 O21 74.81(16) . . ?
O21 Ho1 O11M 66.77(16) . . ?
O21 Ho1 O12N 129.26(17) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.6134(7)
2 0.3866(7)

_vrf_PLAT430_km790-3             
;
PROBLEM: Short Inter D...A Contact O23N ..O41N . 2.84 Ang.
 x,y,z = 1_555 Check
RESPONSE: O41N atom of one of the nitrates shows unresolved
disorder which reduces the observed distance.
;
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_km784-1
_database_code_depnum_ccdc_archive 'CCDC 2336766'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2024-03-01 deposited with the CCDC.	2024-06-14 downloaded from the CCDC.
;
_audit_creation_date             2024-02-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H56 Eu N26 Nd O28, 5(N O3), 6(H2 O)'
_chemical_formula_sum            'C36 H68 Eu N31 Nd O49'
_chemical_formula_weight         2015.41
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Nd Nd -0.1943 3.0179 '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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.4113(6)
_cell_length_b                   13.6182(7)
_cell_length_c                   18.0470(9)
_cell_angle_alpha                90
_cell_angle_beta                 105.5893(16)
_cell_angle_gamma                90
_cell_volume                     3411.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9740
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      2.78
_shelx_estimated_absorpt_T_max   0.884
_shelx_estimated_absorpt_T_min   0.855
_exptl_absorpt_coefficient_mu    1.803
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6252
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0684 before and 0.0546 after correction.
The Ratio of minimum to maximum transmission is 0.8380.
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    1.962
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0241
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            46565
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.696
_diffrn_reflns_theta_min         1.613
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_special_details          ?
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7813
_reflns_number_total             8741
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.779
_refine_diff_density_min         -1.749
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         8741
_refine_ls_number_restraints     147
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.111
_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)+(0.0625P)²+9.5769P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1128
_refine_ls_wR_factor_ref         0.1173
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups, All O(H,H,H,H) groups
2. Shared sites
{Eu1, Nd1}
3. Restrained distances
 H3WB-H26B_$1
 2.1 with sigma of 0.04
 N4-O41N \\sim N4-O42N \\sim N4-O43N \\sim N5-O51N \\sim N5-O52N \\sim N5-O53N
 with sigma of 0.01
 O41N-O42N \\sim O42N-O43N \\sim O43N-O41N \\sim O51N-O52N \\sim O52N-O53N
\\sim O53N-O51N
 with sigma of 0.01
4. Restrained planarity
 N4, O41N, O42N, O43N
 with sigma of 0.02
 N5, O51N, O52N, O53N
 with sigma of 0.02
5. Uiso/Uaniso restraints and constraints
N4 \\sim O41N \\sim O42N \\sim O43N \\sim N5 \\sim O51N \\sim O52N \\sim O53N:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
Uanis(Eu1) = Uanis(Nd1)
6. Others
 Fixed Sof: Eu1(0.5) H1MA(0.5) H1MB(0.5) H1MC(0.5) H1MD(0.5) H2MA(0.5)
 H2MB(0.5) H2MC(0.5) H2MD(0.5) H3MA(0.5) H3MB(0.5) H3MC(0.5) H3MD(0.5)
 H4MA(0.5) H4MB(0.5) H4MC(0.5) H4MD(0.5) H5MA(0.5) H5MB(0.5) H5MC(0.5)
 H5MD(0.5) N4(0.25) O41N(0.25) O42N(0.25) O43N(0.25) N5(0.25) O51N(0.25)
 O52N(0.25) O53N(0.25) Nd1(0.5)
7.a Riding coordinates:
 O1M(H1MA,H1MB), O1M(H1MC,H1MD), O2M(H2MA,H2MB), O2M(H2MC,H2MD), O3M(H3MA,
 H3MB), O3M(H3MC,H3MD), O4M(H4MA,H4MB), O4M(H4MC,H4MD), O5M(H5MA,H5MB),
 O5M(H5MC,H5MD)
7.b Free rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB)
7.c Ternary CH refined with riding coordinates:
 C13(H13), C14(H14), C23(H23), C24(H24), C33(H33), C34(H34)
7.d Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C25(H25A,H25B), C26(H26A,H26B), C35(H35A,
 H35B), C36(H36A,H36B)
;
_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 0.58289(2) 0.46607(2) 0.21985(2) 0.01769(7) Uani 0.5 1 d . . P A 1
O1M O 0.6643(2) 0.3005(2) 0.23221(16) 0.0286(6) Uani 1 1 d . . . . .
H1MA H 0.6345 0.2477 0.2407 0.043 Uiso 0.5 1 d R U P A 1
H1MB H 0.7204 0.2797 0.2298 0.043 Uiso 0.5 1 d R U P A 1
H1MC H 0.6345 0.2477 0.2407 0.043 Uiso 0.5 1 d R U P A 2
H1MD H 0.7204 0.2797 0.2298 0.043 Uiso 0.5 1 d R U P A 2
O2M O 0.5081(2) 0.3892(2) 0.30917(17) 0.0306(6) Uani 1 1 d . . . . .
H2MA H 0.4492 0.3732 0.2851 0.046 Uiso 0.5 1 d R U P A 1
H2MB H 0.5023 0.4324 0.3434 0.046 Uiso 0.5 1 d R U P A 1
H2MC H 0.4492 0.3732 0.2851 0.046 Uiso 0.5 1 d R U P A 2
H2MD H 0.5023 0.4324 0.3434 0.046 Uiso 0.5 1 d R U P A 2
O3M O 0.4148(2) 0.5207(2) 0.18290(17) 0.0299(6) Uani 1 1 d . . . . .
H3MA H 0.3820 0.5469 0.2120 0.045 Uiso 0.5 1 d R U P A 1
H3MB H 0.3745 0.5183 0.1371 0.045 Uiso 0.5 1 d R U P A 1
H3MC H 0.3820 0.5469 0.2120 0.045 Uiso 0.5 1 d R U P A 2
H3MD H 0.3745 0.5183 0.1371 0.045 Uiso 0.5 1 d R U P A 2
O4M O 0.5818(2) 0.6022(2) 0.13105(18) 0.0364(7) Uani 1 1 d . . . . .
H4MA H 0.6019 0.5927 0.0901 0.055 Uiso 0.5 1 d R U P A 1
H4MB H 0.5649 0.6638 0.1285 0.055 Uiso 0.5 1 d R U P A 1
H4MC H 0.6019 0.5927 0.0901 0.055 Uiso 0.5 1 d R U P A 2
H4MD H 0.5649 0.6638 0.1285 0.055 Uiso 0.5 1 d R U P A 2
O5M O 0.74434(19) 0.4950(2) 0.20672(16) 0.0277(5) Uani 1 1 d . . . . .
H5MA H 0.7416 0.5042 0.1582 0.042 Uiso 0.5 1 d R U P A 1
H5MB H 0.7787 0.4420 0.2195 0.042 Uiso 0.5 1 d R U P A 1
H5MC H 0.7416 0.5042 0.1582 0.042 Uiso 0.5 1 d R U P A 2
H5MD H 0.7787 0.4420 0.2195 0.042 Uiso 0.5 1 d R U P A 2
O11 O 0.57701(18) 0.61458(18) 0.28963(14) 0.0223(5) Uani 1 1 d . . . . .
O12 O 0.6575(2) 0.7966(2) 0.60897(16) 0.0320(6) Uani 1 1 d . . . . .
C11 C 0.6036(2) 0.6811(2) 0.33716(19) 0.0195(6) Uani 1 1 d . . . . .
C12 C 0.6541(3) 0.7932(3) 0.5409(2) 0.0254(7) Uani 1 1 d . . . . .
C13 C 0.6011(3) 0.8226(3) 0.4087(2) 0.0233(7) Uani 1 1 d . . . . .
H13 H 0.5966 0.8882 0.3831 0.028 Uiso 1 1 calc R U . . .
C14 C 0.7051(3) 0.7812(3) 0.4287(2) 0.0235(7) Uani 1 1 d . . . . .
H14 H 0.7520 0.8310 0.4199 0.028 Uiso 1 1 calc R U . . .
N11 N 0.5455(2) 0.7480(2) 0.35714(17) 0.0217(6) Uani 1 1 d . . . . .
N12 N 0.6968(2) 0.6989(2) 0.37722(17) 0.0210(6) Uani 1 1 d . . . . .
N13 N 0.7238(2) 0.7561(3) 0.50987(18) 0.0263(6) Uani 1 1 d . . . . .
N14 N 0.5805(2) 0.8286(2) 0.48234(18) 0.0246(6) Uani 1 1 d . . . . .
C15 C 0.7766(2) 0.6378(3) 0.3712(2) 0.0225(7) Uani 1 1 d . . . . .
H15A H 0.7623 0.6102 0.3186 0.027 Uiso 1 1 calc R U . . .
H15B H 0.8351 0.6790 0.3793 0.027 Uiso 1 1 calc R U . . .
C16 C 0.8164(3) 0.7225(3) 0.5575(2) 0.0274(8) Uani 1 1 d . . . . .
H16A H 0.8682 0.7523 0.5383 0.033 Uiso 1 1 calc R U . . .
H16B H 0.8245 0.7459 0.6108 0.033 Uiso 1 1 calc R U . . .
O21 O 0.70137(19) 0.4425(2) 0.34778(15) 0.0236(5) Uani 1 1 d . . . . .
O22 O 0.8131(2) 0.5865(2) 0.68090(16) 0.0317(6) Uani 1 1 d . . . . .
C21 C 0.7577(2) 0.4674(3) 0.4091(2) 0.0203(7) Uani 1 1 d . . . . .
C22 C 0.8259(3) 0.5586(3) 0.6198(2) 0.0267(7) Uani 1 1 d . . . . .
C23 C 0.8618(2) 0.5636(3) 0.5016(2) 0.0245(7) Uani 1 1 d . . . . .
H23 H 0.9265 0.5880 0.4994 0.029 Uiso 1 1 calc R U . . .
C24 C 0.8672(3) 0.4564(3) 0.5304(2) 0.0249(7) Uani 1 1 d . . . . .
H24 H 0.9327 0.4276 0.5364 0.030 Uiso 1 1 calc R U . . .
N21 N 0.7958(2) 0.5586(2) 0.42605(18) 0.0233(6) Uani 1 1 d . . . . .
N22 N 0.7940(2) 0.4063(2) 0.46975(18) 0.0237(6) Uani 1 1 d . . . . .
N23 N 0.8449(2) 0.4643(2) 0.60310(19) 0.0264(7) Uani 1 1 d . . . . .
N24 N 0.8270(2) 0.6169(3) 0.55845(18) 0.0263(6) Uani 1 1 d . . . . .
C25 C 0.7820(3) 0.3007(3) 0.4642(2) 0.0238(7) Uani 1 1 d . . . . .
H25A H 0.7576 0.2823 0.4093 0.029 Uiso 1 1 calc R U . . .
H25B H 0.8456 0.2691 0.4845 0.029 Uiso 1 1 calc R U . . .
C26 C 0.8466(3) 0.3825(3) 0.6546(2) 0.0297(8) Uani 1 1 d . . . . .
H26A H 0.9001 0.3379 0.6523 0.036 Uiso 1 1 calc R U . . .
H26B H 0.8594 0.4074 0.7079 0.036 Uiso 1 1 calc R U . . .
O31 O 0.5873(2) 0.2336(2) 0.40107(15) 0.0257(5) Uani 1 1 d . . . . .
O32 O 0.6882(2) 0.3964(2) 0.72511(16) 0.0303(6) Uani 1 1 d . . . . .
C31 C 0.6269(3) 0.2297(3) 0.4703(2) 0.0222(7) Uani 1 1 d . . . . .
C32 C 0.6905(3) 0.3345(3) 0.6764(2) 0.0239(7) Uani 1 1 d . . . . .
C33 C 0.7453(3) 0.2419(3) 0.5875(2) 0.0246(7) Uani 1 1 d . . . . .
H33 H 0.8028 0.1977 0.6019 0.030 Uiso 1 1 calc R U . . .
C34 C 0.6545(3) 0.1922(3) 0.6008(2) 0.0252(7) Uani 1 1 d . . . . .
H34 H 0.6689 0.1251 0.6234 0.030 Uiso 1 1 calc R U . . .
N31 N 0.7167(2) 0.2633(3) 0.50561(18) 0.0261(6) Uani 1 1 d . . . . .
N32 N 0.5889(2) 0.1890(2) 0.52455(18) 0.0236(6) Uani 1 1 d . . . . .
N33 N 0.6255(2) 0.2593(2) 0.65316(18) 0.0242(6) Uani 1 1 d . . . . .
N34 N 0.7576(2) 0.3275(2) 0.63595(19) 0.0267(6) Uani 1 1 d . . . . .
C35 C 0.5046(3) 0.1266(3) 0.5056(2) 0.0271(7) Uani 1 1 d . . . . .
H35A H 0.4913 0.1069 0.4510 0.032 Uiso 1 1 calc R U . . .
H35B H 0.5190 0.0662 0.5372 0.032 Uiso 1 1 calc R U . . .
C36 C 0.5520(3) 0.2355(3) 0.6908(2) 0.0242(7) Uani 1 1 d . . . . .
H36A H 0.5622 0.2756 0.7380 0.029 Uiso 1 1 calc R U . . .
H36B H 0.5587 0.1656 0.7065 0.029 Uiso 1 1 calc R U . . .
N1 N 0.5235(2) 0.3300(2) 0.08916(18) 0.0245(6) Uani 1 1 d . . . . .
O11N O 0.48075(18) 0.3316(2) 0.14168(16) 0.0261(5) Uani 1 1 d . . . . .
O12N O 0.5818(2) 0.3997(2) 0.08820(16) 0.0283(6) Uani 1 1 d . . . . .
O13N O 0.5118(2) 0.2629(2) 0.04179(18) 0.0363(7) Uani 1 1 d . . . . .
N2 N 0.7254(2) 0.5320(2) 0.00676(19) 0.0230(6) Uani 1 1 d . . . . .
O21N O 0.7873(2) 0.5279(2) 0.07039(17) 0.0319(6) Uani 1 1 d . . . . .
O22N O 0.6459(2) 0.5719(2) 0.00093(17) 0.0333(6) Uani 1 1 d . . . . .
O23N O 0.7444(3) 0.4979(3) -0.05150(18) 0.0432(8) Uani 1 1 d . . . . .
N3 N 0.9242(2) 0.3709(2) 0.33050(18) 0.0247(6) Uani 1 1 d . . . . .
O31N O 0.8680(2) 0.3442(2) 0.26728(17) 0.0346(7) Uani 1 1 d . . . . .
O32N O 0.9427(3) 0.4597(2) 0.3433(2) 0.0395(8) Uani 1 1 d . . . . .
O33N O 0.9597(2) 0.3086(2) 0.37996(19) 0.0433(8) Uani 1 1 d . . . . .
N4 N 0.4702(13) 0.5173(10) 0.4660(9) 0.087(4) Uani 0.25 1 d D U P B -1
O41N O 0.5312(18) 0.5208(14) 0.4291(13) 0.076(4) Uani 0.25 1 d D U P B -1
O42N O 0.4716(19) 0.5783(15) 0.5166(12) 0.087(4) Uani 0.25 1 d D U P B -1
O43N O 0.4082(16) 0.4523(17) 0.4517(13) 0.092(4) Uani 0.25 1 d D U P B -1
N5 N 0.4509(12) 0.4907(10) 0.4695(9) 0.085(4) Uani 0.25 1 d D U P C -2
O51N O 0.450(2) 0.4000(11) 0.4721(13) 0.088(4) Uani 0.25 1 d D U P C -2
O52N O 0.484(2) 0.5321(13) 0.4210(14) 0.084(4) Uani 0.25 1 d D U P C -2
O53N O 0.419(2) 0.5387(14) 0.5148(14) 0.090(4) Uani 0.25 1 d D U P C -2
O1W O 0.3293(2) 0.3266(2) 0.26675(17) 0.0336(6) Uani 1 1 d G . . . .
H1WA H 0.2912 0.3719 0.2759 0.050 Uiso 1 1 d G U . . .
H1WB H 0.3335 0.2836 0.3035 0.050 Uiso 1 1 d G U . . .
O2W O 0.5718(2) 0.1381(2) 0.2585(2) 0.0394(7) Uani 1 1 d G . . . .
H2WA H 0.5731 0.1357 0.3072 0.059 Uiso 1 1 d G U . . .
H2WB H 0.5785 0.0772 0.2460 0.059 Uiso 1 1 d G U . . .
O3W O 0.3954(4) 0.0173(3) 0.3316(2) 0.0580(11) Uani 1 1 d G . . . .
H3WA H 0.3653 0.0688 0.3420 0.087 Uiso 1 1 d G U . . .
H3WB H 0.3548 -0.0096 0.2918 0.087 Uiso 1 1 d DG U . . .
Nd1 Nd 0.58289(2) 0.46607(2) 0.21985(2) 0.01769(7) Uani 0.5 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1M 2.523(3) . ?
Eu1 O2M 2.407(3) . ?
Eu1 H2MA 2.8145 . ?
Eu1 H2MB 2.8141 . ?
Eu1 O3M 2.449(3) . ?
Eu1 O4M 2.447(3) . ?
Eu1 O5M 2.433(3) . ?
Eu1 O11 2.396(2) . ?
Eu1 O21 2.496(3) . ?
Eu1 O11N 2.529(3) . ?
Eu1 O12N 2.538(3) . ?
O1M H1MA 0.8713 . ?
O1M H1MB 0.8696 . ?
O1M H1MC 0.8713 . ?
O1M H1MD 0.8696 . ?
O1M Nd1 2.523(3) . ?
O2M H2MA 0.8708 . ?
O2M H2MB 0.8726 . ?
O2M H2MC 0.8708 . ?
O2M H2MD 0.8726 . ?
O2M Nd1 2.407(3) . ?
O3M H3MA 0.8716 . ?
O3M H3MB 0.8740 . ?
O3M H3MC 0.8716 . ?
O3M H3MD 0.8740 . ?
O3M Nd1 2.449(3) . ?
O4M H4MA 0.8733 . ?
O4M H4MB 0.8719 . ?
O4M H4MC 0.8733 . ?
O4M H4MD 0.8719 . ?
O4M Nd1 2.447(3) . ?
O5M H5MA 0.8748 . ?
O5M H5MB 0.8715 . ?
O5M H5MC 0.8748 . ?
O5M H5MD 0.8715 . ?
O5M Nd1 2.433(3) . ?
O11 C11 1.236(4) . ?
O11 Nd1 2.396(2) . ?
O12 C12 1.217(5) . ?
C11 N11 1.350(5) . ?
C11 N12 1.365(4) . ?
C12 N13 1.372(5) . ?
C12 N14 1.367(5) . ?
C13 H13 1.0000 . ?
C13 C14 1.550(5) . ?
C13 N11 1.462(4) . ?
C13 N14 1.440(5) . ?
C14 H14 1.0000 . ?
C14 N12 1.440(4) . ?
C14 N13 1.458(5) . ?
N11 C36 1.456(5) 3_666 ?
N12 C15 1.447(5) . ?
N13 C16 1.454(5) . ?
N14 C35 1.438(5) 3_666 ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 N21 1.440(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 N24 1.445(5) . ?
O21 C21 1.231(4) . ?
O21 Nd1 2.496(3) . ?
O22 C22 1.226(5) . ?
C21 N21 1.359(5) . ?
C21 N22 1.363(5) . ?
C22 N23 1.363(5) . ?
C22 N24 1.367(5) . ?
C23 H23 1.0000 . ?
C23 C24 1.545(6) . ?
C23 N21 1.439(4) . ?
C23 N24 1.452(5) . ?
C24 H24 1.0000 . ?
C24 N22 1.468(5) . ?
C24 N23 1.437(5) . ?
N22 C25 1.450(5) . ?
N23 C26 1.447(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 N31 1.441(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 N34 1.445(5) . ?
O31 C31 1.228(4) . ?
O32 C32 1.225(5) . ?
C31 N31 1.359(5) . ?
C31 N32 1.361(5) . ?
C32 N33 1.375(5) . ?
C32 N34 1.361(5) . ?
C33 H33 1.0000 . ?
C33 C34 1.547(5) . ?
C33 N31 1.454(5) . ?
C33 N34 1.439(5) . ?
C34 H34 1.0000 . ?
C34 N32 1.446(5) . ?
C34 N33 1.454(5) . ?
N32 C35 1.446(5) . ?
N33 C36 1.441(5) . ?
C35 N14 1.438(5) 3_666 ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 N11 1.456(5) 3_666 ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
N1 O11N 1.262(4) . ?
N1 O12N 1.271(4) . ?
N1 O13N 1.231(4) . ?
N1 Nd1 2.940(3) . ?
O11N Nd1 2.529(3) . ?
O12N Nd1 2.538(3) . ?
N2 O21N 1.252(4) . ?
N2 O22N 1.246(4) . ?
N2 O23N 1.245(4) . ?
N3 O31N 1.262(4) . ?
N3 O32N 1.246(4) . ?
N3 O33N 1.238(4) . ?
N4 O41N 1.239(10) . ?
N4 O42N 1.230(10) . ?
N4 O43N 1.235(10) . ?
N5 O51N 1.237(10) . ?
N5 O52N 1.237(10) . ?
N5 O53N 1.225(10) . ?
O1W H1WA 0.8710 . ?
O1W H1WB 0.8733 . ?
O2W H2WA 0.8752 . ?
O2W H2WB 0.8721 . ?
O3W H3WA 0.8712 . ?
O3W H3WB 0.8754 . ?

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
O1M Eu1 H2MA 85.2 . . ?
O1M Eu1 H2MB 93.7 . . ?
O1M Eu1 O11N 65.75(9) . . ?
O1M Eu1 O12N 69.54(9) . . ?
O2M Eu1 O1M 80.39(10) . . ?
O2M Eu1 H2MA 17.0 . . ?
O2M Eu1 H2MB 17.1 . . ?
O2M Eu1 O3M 74.11(10) . . ?
O2M Eu1 O4M 147.44(10) . . ?
O2M Eu1 O5M 138.41(9) . . ?
O2M Eu1 O21 69.06(9) . . ?
O2M Eu1 O11N 76.12(10) . . ?
O2M Eu1 O12N 125.51(10) . . ?
H2MA Eu1 H2MB 28.4 . . ?
O3M Eu1 O1M 134.22(9) . . ?
O3M Eu1 H2MA 60.8 . . ?
O3M Eu1 H2MB 71.1 . . ?
O3M Eu1 O21 132.19(9) . . ?
O3M Eu1 O11N 71.52(9) . . ?
O3M Eu1 O12N 95.53(9) . . ?
O4M Eu1 O1M 130.98(10) . . ?
O4M Eu1 H2MA 136.8 . . ?
O4M Eu1 H2MB 135.3 . . ?
O4M Eu1 O3M 76.10(11) . . ?
O4M Eu1 O21 125.86(10) . . ?
O4M Eu1 O11N 106.42(10) . . ?
O4M Eu1 O12N 70.09(10) . . ?
O5M Eu1 O1M 73.73(10) . . ?
O5M Eu1 H2MA 153.4 . . ?
O5M Eu1 H2MB 135.4 . . ?
O5M Eu1 O3M 145.68(10) . . ?
O5M Eu1 O4M 69.62(10) . . ?
O5M Eu1 O21 71.14(9) . . ?
O5M Eu1 O11N 119.45(9) . . ?
O5M Eu1 O12N 74.46(9) . . ?
O11 Eu1 O1M 142.09(9) . . ?
O11 Eu1 O2M 85.97(10) . . ?
O11 Eu1 H2MA 92.0 . . ?
O11 Eu1 H2MB 69.0 . . ?
O11 Eu1 O3M 73.42(9) . . ?
O11 Eu1 O4M 73.14(10) . . ?
O11 Eu1 O5M 94.83(10) . . ?
O11 Eu1 O21 74.61(9) . . ?
O11 Eu1 O11N 143.80(9) . . ?
O11 Eu1 O12N 143.17(9) . . ?
O21 Eu1 O1M 67.48(9) . . ?
O21 Eu1 H2MA 86.0 . . ?
O21 Eu1 H2MB 64.6 . . ?
O21 Eu1 O11N 125.01(9) . . ?
O21 Eu1 O12N 130.59(9) . . ?
O11N Eu1 H2MA 63.1 . . ?
O11N Eu1 H2MB 91.2 . . ?
O11N Eu1 O12N 50.48(9) . . ?
O12N Eu1 H2MA 113.5 . . ?
O12N Eu1 H2MB 141.6 . . ?
Eu1 O1M H1MA 120.9 . . ?
Eu1 O1M H1MB 134.6 . . ?
H1MA O1M H1MB 104.4 . . ?
H1MC O1M H1MD 104.4 . . ?
Nd1 O1M H1MC 120.9 . . ?
Nd1 O1M H1MD 134.6 . . ?
Eu1 O2M H2MA 109.1 . . ?
Eu1 O2M H2MB 109.0 . . ?
H2MA O2M H2MB 104.8 . . ?
H2MC O2M H2MD 104.8 . . ?
Nd1 O2M H2MC 109.1 . . ?
Nd1 O2M H2MD 109.0 . . ?
Eu1 O3M H3MA 128.1 . . ?
Eu1 O3M H3MB 127.1 . . ?
H3MA O3M H3MB 104.8 . . ?
H3MC O3M H3MD 104.8 . . ?
Nd1 O3M H3MC 128.1 . . ?
Nd1 O3M H3MD 127.1 . . ?
Eu1 O4M H4MA 119.8 . . ?
Eu1 O4M H4MB 135.8 . . ?
H4MA O4M H4MB 104.4 . . ?
H4MC O4M H4MD 104.4 . . ?
Nd1 O4M H4MC 119.8 . . ?
Nd1 O4M H4MD 135.8 . . ?
Eu1 O5M H5MA 109.4 . . ?
Eu1 O5M H5MB 109.3 . . ?
H5MA O5M H5MB 104.6 . . ?
H5MC O5M H5MD 104.6 . . ?
Nd1 O5M H5MC 109.4 . . ?
Nd1 O5M H5MD 109.3 . . ?
C11 O11 Eu1 159.3(2) . . ?
C11 O11 Nd1 159.3(2) . . ?
O11 C11 N11 125.6(3) . . ?
O11 C11 N12 125.1(3) . . ?
N11 C11 N12 109.3(3) . . ?
O12 C12 N13 126.2(4) . . ?
O12 C12 N14 125.4(4) . . ?
N14 C12 N13 108.4(3) . . ?
C14 C13 H13 111.8 . . ?
N11 C13 H13 111.8 . . ?
N11 C13 C14 103.0(3) . . ?
N14 C13 H13 111.8 . . ?
N14 C13 C14 103.4(3) . . ?
N14 C13 N11 114.4(3) . . ?
C13 C14 H14 111.6 . . ?
N12 C14 C13 103.0(3) . . ?
N12 C14 H14 111.6 . . ?
N12 C14 N13 115.3(3) . . ?
N13 C14 C13 103.0(3) . . ?
N13 C14 H14 111.6 . . ?
C11 N11 C13 111.5(3) . . ?
C11 N11 C36 120.9(3) . 3_666 ?
C36 N11 C13 123.2(3) 3_666 . ?
C11 N12 C14 112.3(3) . . ?
C11 N12 C15 123.2(3) . . ?
C14 N12 C15 124.4(3) . . ?
C12 N13 C14 111.5(3) . . ?
C12 N13 C16 122.1(3) . . ?
C16 N13 C14 124.1(3) . . ?
C12 N14 C13 112.6(3) . . ?
C12 N14 C35 123.3(3) . 3_666 ?
C35 N14 C13 124.0(3) 3_666 . ?
N12 C15 H15A 109.0 . . ?
N12 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
N21 C15 N12 112.9(3) . . ?
N21 C15 H15A 109.0 . . ?
N21 C15 H15B 109.0 . . ?
N13 C16 H16A 108.9 . . ?
N13 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
N24 C16 N13 113.4(3) . . ?
N24 C16 H16A 108.9 . . ?
N24 C16 H16B 108.9 . . ?
C21 O21 Eu1 156.6(2) . . ?
C21 O21 Nd1 156.6(2) . . ?
O21 C21 N21 125.7(3) . . ?
O21 C21 N22 124.9(3) . . ?
N21 C21 N22 109.4(3) . . ?
O22 C22 N23 125.4(4) . . ?
O22 C22 N24 125.9(4) . . ?
N23 C22 N24 108.7(3) . . ?
C24 C23 H23 111.4 . . ?
N21 C23 H23 111.4 . . ?
N21 C23 C24 103.6(3) . . ?
N21 C23 N24 115.3(3) . . ?
N24 C23 H23 111.4 . . ?
N24 C23 C24 103.4(3) . . ?
C23 C24 H24 111.5 . . ?
N22 C24 C23 103.1(3) . . ?
N22 C24 H24 111.5 . . ?
N23 C24 C23 103.4(3) . . ?
N23 C24 H24 111.5 . . ?
N23 C24 N22 115.0(3) . . ?
C21 N21 C15 122.6(3) . . ?
C21 N21 C23 112.4(3) . . ?
C23 N21 C15 124.8(3) . . ?
C21 N22 C24 111.1(3) . . ?
C21 N22 C25 122.5(3) . . ?
C25 N22 C24 124.1(3) . . ?
C22 N23 C24 112.4(3) . . ?
C22 N23 C26 123.6(3) . . ?
C24 N23 C26 123.9(3) . . ?
C16 N24 C23 123.0(3) . . ?
C22 N24 C16 124.3(3) . . ?
C22 N24 C23 111.3(3) . . ?
N22 C25 H25A 108.9 . . ?
N22 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
N31 C25 N22 113.4(3) . . ?
N31 C25 H25A 108.9 . . ?
N31 C25 H25B 108.9 . . ?
N23 C26 H26A 109.0 . . ?
N23 C26 H26B 109.0 . . ?
H26A C26 H26B 107.8 . . ?
N34 C26 N23 112.9(3) . . ?
N34 C26 H26A 109.0 . . ?
N34 C26 H26B 109.0 . . ?
O31 C31 N31 125.9(4) . . ?
O31 C31 N32 125.6(3) . . ?
N31 C31 N32 108.5(3) . . ?
O32 C32 N33 125.7(4) . . ?
O32 C32 N34 126.4(4) . . ?
N34 C32 N33 107.9(3) . . ?
C34 C33 H33 111.9 . . ?
N31 C33 H33 111.9 . . ?
N31 C33 C34 103.0(3) . . ?
N34 C33 H33 111.9 . . ?
N34 C33 C34 103.3(3) . . ?
N34 C33 N31 114.2(3) . . ?
C33 C34 H34 111.8 . . ?
N32 C34 C33 103.3(3) . . ?
N32 C34 H34 111.8 . . ?
N32 C34 N33 114.1(3) . . ?
N33 C34 C33 103.2(3) . . ?
N33 C34 H34 111.8 . . ?
C25 N31 C33 123.5(3) . . ?
C31 N31 C25 123.2(3) . . ?
C31 N31 C33 112.5(3) . . ?
C31 N32 C34 112.6(3) . . ?
C31 N32 C35 123.0(3) . . ?
C35 N32 C34 122.4(3) . . ?
C32 N33 C34 112.0(3) . . ?
C32 N33 C36 123.4(3) . . ?
C36 N33 C34 122.8(3) . . ?
C32 N34 C26 123.6(3) . . ?
C32 N34 C33 113.2(3) . . ?
C33 N34 C26 121.1(3) . . ?
N14 C35 N32 114.3(3) 3_666 . ?
N14 C35 H35A 108.7 3_666 . ?
N14 C35 H35B 108.7 3_666 . ?
N32 C35 H35A 108.7 . . ?
N32 C35 H35B 108.7 . . ?
H35A C35 H35B 107.6 . . ?
N11 C36 H36A 108.9 3_666 . ?
N11 C36 H36B 108.9 3_666 . ?
N33 C36 N11 113.6(3) . 3_666 ?
N33 C36 H36A 108.9 . . ?
N33 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
O11N N1 Eu1 58.81(17) . . ?
O11N N1 O12N 117.1(3) . . ?
O11N N1 Nd1 58.81(17) . . ?
O12N N1 Eu1 59.28(17) . . ?
O12N N1 Nd1 59.28(17) . . ?
O13N N1 Eu1 168.7(2) . . ?
O13N N1 O11N 122.1(3) . . ?
O13N N1 O12N 120.8(3) . . ?
O13N N1 Nd1 168.7(2) . . ?
N1 O11N Eu1 95.9(2) . . ?
N1 O11N Nd1 95.9(2) . . ?
N1 O12N Eu1 95.2(2) . . ?
N1 O12N Nd1 95.2(2) . . ?
O22N N2 O21N 120.6(3) . . ?
O23N N2 O21N 119.6(3) . . ?
O23N N2 O22N 119.8(3) . . ?
O32N N3 O31N 120.0(3) . . ?
O33N N3 O31N 119.6(3) . . ?
O33N N3 O32N 120.4(3) . . ?
O42N N4 O41N 120.0(7) . . ?
O42N N4 O43N 120.4(7) . . ?
O43N N4 O41N 119.6(7) . . ?
O51N N5 O52N 119.3(7) . . ?
O53N N5 O51N 120.0(7) . . ?
O53N N5 O52N 120.7(7) . . ?
H1WA O1W H1WB 104.5 . . ?
H2WA O2W H2WB 104.5 . . ?
H3WA O3W H3WB 104.5 . . ?
O1M Nd1 O11N 65.75(9) . . ?
O1M Nd1 O12N 69.54(9) . . ?
O2M Nd1 O1M 80.39(10) . . ?
O2M Nd1 O3M 74.11(10) . . ?
O2M Nd1 O4M 147.44(10) . . ?
O2M Nd1 O5M 138.41(9) . . ?
O2M Nd1 O21 69.06(9) . . ?
O2M Nd1 O11N 76.12(10) . . ?
O2M Nd1 O12N 125.51(10) . . ?
O3M Nd1 O1M 134.22(9) . . ?
O3M Nd1 O21 132.19(9) . . ?
O3M Nd1 O11N 71.52(9) . . ?
O3M Nd1 O12N 95.53(9) . . ?
O4M Nd1 O1M 130.98(10) . . ?
O4M Nd1 O3M 76.10(11) . . ?
O4M Nd1 O21 125.86(10) . . ?
O4M Nd1 O11N 106.42(10) . . ?
O4M Nd1 O12N 70.09(10) . . ?
O5M Nd1 O1M 73.73(10) . . ?
O5M Nd1 O3M 145.68(10) . . ?
O5M Nd1 O4M 69.62(10) . . ?
O5M Nd1 O21 71.14(9) . . ?
O5M Nd1 O11N 119.45(9) . . ?
O5M Nd1 O12N 74.46(9) . . ?
O11 Nd1 O1M 142.09(9) . . ?
O11 Nd1 O2M 85.97(10) . . ?
O11 Nd1 O3M 73.42(9) . . ?
O11 Nd1 O4M 73.14(10) . . ?
O11 Nd1 O5M 94.83(10) . . ?
O11 Nd1 O21 74.61(9) . . ?
O11 Nd1 O11N 143.80(9) . . ?
O11 Nd1 O12N 143.17(9) . . ?
O21 Nd1 O1M 67.48(9) . . ?
O21 Nd1 O11N 125.01(9) . . ?
O21 Nd1 O12N 130.59(9) . . ?
O11N Nd1 O12N 50.48(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT971_km784-1             
;
PROBLEM: Check Calcd Resid. Dens. 0.85Ang From Eu1 2.74 eA-3
RESPONSE: This is an artefact of the structure
;
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_km789-3
_database_code_depnum_ccdc_archive 'CCDC 2336765'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2024-03-01 deposited with the CCDC.	2024-06-14 downloaded from the CCDC.
;
_audit_creation_date             2024-02-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C36 H56 Eu N26 O28 Sm, 5(N O3), 6(H2 O)'
_chemical_formula_sum            'C36 H68 Eu N31 O49 Sm'
_chemical_formula_weight         2021.52
_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'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.4200(5)
_cell_length_b                   13.5890(4)
_cell_length_c                   17.9538(6)
_cell_angle_alpha                90
_cell_angle_beta                 105.6825(13)
_cell_angle_gamma                90
_cell_volume                     3387.14(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9909
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.94
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.862
_shelx_estimated_absorpt_T_min   0.579
_exptl_absorpt_coefficient_mu    1.916
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.5666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1044 before and 0.0588 after correction.
The Ratio of minimum to maximum transmission is 0.7593.
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    1.982
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2036
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0517
_diffrn_reflns_av_unetI/netI     0.0382
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            65540
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.507
_diffrn_reflns_theta_min         1.614
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_special_details          ?
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8411
_reflns_number_total             10354
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.712
_refine_diff_density_min         -0.928
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         10354
_refine_ls_number_restraints     117
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0295
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0306P)²+2.7616P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0714
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups, All O(H,H,H,H) groups
2. Shared sites
{Eu1, Sm1}
3. Restrained distances
 H3WB-H26A_$1
 2.1 with sigma of 0.02
 N4-O41N \\sim N4-O42N \\sim N4-O43N \\sim N5-O51N \\sim N5-O52N \\sim N5-O53N
 with sigma of 0.01
 O41N-O42N \\sim O42N-O43N \\sim O43N-O41N \\sim O51N-O52N \\sim O52N-O53N
\\sim O53N-O51N
 with sigma of 0.01
4. Restrained planarity
 N4, O41N, O42N, O43N
 with sigma of 0.02
 N5, O51N, O52N, O53N
 with sigma of 0.02
5. Uiso/Uaniso restraints and constraints
N4 \\sim O41N \\sim O42N \\sim O43N \\sim N5 \\sim O51N \\sim O52N \\sim O53N:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
Uanis(Eu1) = Uanis(Sm1)
6. Others
 Fixed Sof: Eu1(0.5) H1MA(0.5) H1MB(0.5) H1MC(0.5) H1MD(0.5) H2MA(0.5)
 H2MB(0.5) H2MC(0.5) H2MD(0.5) H3MA(0.5) H3MB(0.5) H3MC(0.5) H3MD(0.5)
 H4MA(0.5) H4MB(0.5) H4MC(0.5) H4MD(0.5) H5MA(0.5) H5MB(0.5) H5MC(0.5)
 H5MD(0.5) N4(0.25) O41N(0.25) O42N(0.25) O43N(0.25) N5(0.25) O51N(0.25)
 O52N(0.25) O53N(0.25) Sm1(0.5)
7.a Riding coordinates:
 O1M(H1MA,H1MB), O1M(H1MC,H1MD), O2M(H2MA,H2MB), O2M(H2MC,H2MD), O3M(H3MA,
 H3MB), O3M(H3MC,H3MD), O4M(H4MA,H4MB), O4M(H4MC,H4MD), O5M(H5MA,H5MB),
 O5M(H5MC,H5MD)
7.b Free rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB)
7.c Ternary CH refined with riding coordinates:
 C13(H13), C14(H14), C23(H23), C24(H24), C33(H33), C34(H34)
7.d Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C25(H25A,H25B), C26(H26A,H26B), C35(H35A,
 H35B), C36(H36A,H36B)
;
_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 0.58355(2) 0.46564(2) 0.21986(2) 0.01536(4) Uani 0.5 1 d . . P A 1
O1M O 0.66359(13) 0.30051(13) 0.23202(11) 0.0254(4) Uani 1 1 d . . . . .
H1MA H 0.6339 0.2477 0.2405 0.038 Uiso 0.5 1 d R U P A 1
H1MB H 0.7198 0.2797 0.2296 0.038 Uiso 0.5 1 d R U P A 1
H1MC H 0.6339 0.2477 0.2405 0.038 Uiso 0.5 1 d R U P A 2
H1MD H 0.7198 0.2797 0.2296 0.038 Uiso 0.5 1 d R U P A 2
O2M O 0.50819(13) 0.39077(14) 0.30958(11) 0.0269(4) Uani 1 1 d . . . . .
H2MA H 0.5374 0.3357 0.3259 0.040 Uiso 0.5 1 d R U P A 1
H2MB H 0.4499 0.3734 0.2851 0.040 Uiso 0.5 1 d R U P A 1
H2MC H 0.5374 0.3357 0.3259 0.040 Uiso 0.5 1 d R U P A 2
H2MD H 0.4499 0.3734 0.2851 0.040 Uiso 0.5 1 d R U P A 2
O3M O 0.41721(13) 0.52038(14) 0.18277(10) 0.0269(4) Uani 1 1 d . . . . .
H3MA H 0.3844 0.5466 0.2118 0.040 Uiso 0.5 1 d R U P A 1
H3MB H 0.3769 0.5180 0.1369 0.040 Uiso 0.5 1 d R U P A 1
H3MC H 0.3844 0.5466 0.2118 0.040 Uiso 0.5 1 d R U P A 2
H3MD H 0.3769 0.5180 0.1369 0.040 Uiso 0.5 1 d R U P A 2
O4M O 0.58218(16) 0.60123(14) 0.13095(11) 0.0345(5) Uani 1 1 d . . . . .
H4MA H 0.6023 0.5917 0.0900 0.052 Uiso 0.5 1 d R U P A 1
H4MB H 0.5654 0.6629 0.1284 0.052 Uiso 0.5 1 d R U P A 1
H4MC H 0.6023 0.5917 0.0900 0.052 Uiso 0.5 1 d R U P A 2
H4MD H 0.5654 0.6629 0.1284 0.052 Uiso 0.5 1 d R U P A 2
O5M O 0.74391(13) 0.49445(14) 0.20700(10) 0.0240(4) Uani 1 1 d . . . . .
H5MA H 0.7411 0.5036 0.1585 0.036 Uiso 0.5 1 d R U P A 1
H5MB H 0.7783 0.4414 0.2197 0.036 Uiso 0.5 1 d R U P A 1
H5MC H 0.7411 0.5036 0.1585 0.036 Uiso 0.5 1 d R U P A 2
H5MD H 0.7783 0.4414 0.2197 0.036 Uiso 0.5 1 d R U P A 2
O11 O 0.57875(12) 0.61358(12) 0.28938(9) 0.0200(3) Uani 1 1 d . . . . .
O12 O 0.65913(14) 0.79467(15) 0.61037(10) 0.0293(4) Uani 1 1 d . . . . .
C11 C 0.60574(17) 0.68010(17) 0.33748(13) 0.0164(4) Uani 1 1 d . . . . .
C12 C 0.65602(19) 0.79189(19) 0.54181(15) 0.0227(5) Uani 1 1 d . . . . .
C13 C 0.60283(18) 0.82121(18) 0.40917(14) 0.0200(5) Uani 1 1 d . . . . .
H13 H 0.5983 0.8871 0.3837 0.024 Uiso 1 1 calc R U . . .
C14 C 0.70708(18) 0.78020(18) 0.42939(14) 0.0194(5) Uani 1 1 d . . . . .
H14 H 0.7538 0.8303 0.4207 0.023 Uiso 1 1 calc R U . . .
N11 N 0.54718(14) 0.74695(14) 0.35698(11) 0.0174(4) Uani 1 1 d . . . . .
N12 N 0.69851(14) 0.69786(15) 0.37721(11) 0.0187(4) Uani 1 1 d . . . . .
N13 N 0.72570(16) 0.75473(16) 0.51074(12) 0.0229(4) Uani 1 1 d . . . . .
N14 N 0.58258(15) 0.82700(16) 0.48316(12) 0.0219(4) Uani 1 1 d . . . . .
C15 C 0.77806(17) 0.63625(18) 0.37181(14) 0.0194(5) Uani 1 1 d . . . . .
H15A H 0.7641 0.6088 0.3189 0.023 Uiso 1 1 calc R U . . .
H15B H 0.8368 0.6773 0.3804 0.023 Uiso 1 1 calc R U . . .
C16 C 0.81805(19) 0.7214(2) 0.55859(15) 0.0246(5) Uani 1 1 d . . . . .
H16A H 0.8263 0.7450 0.6122 0.030 Uiso 1 1 calc R U . . .
H16B H 0.8698 0.7510 0.5393 0.030 Uiso 1 1 calc R U . . .
O21 O 0.70130(12) 0.44140(13) 0.34817(10) 0.0202(3) Uani 1 1 d . . . . .
O22 O 0.81475(14) 0.58591(15) 0.68303(10) 0.0294(4) Uani 1 1 d . . . . .
C21 C 0.75784(16) 0.46614(18) 0.40954(14) 0.0184(4) Uani 1 1 d . . . . .
C22 C 0.82688(17) 0.5573(2) 0.62121(15) 0.0240(5) Uani 1 1 d . . . . .
C23 C 0.86310(17) 0.5620(2) 0.50295(14) 0.0213(5) Uani 1 1 d . . . . .
H23 H 0.9280 0.5859 0.5009 0.026 Uiso 1 1 calc R U . . .
C24 C 0.86696(17) 0.4539(2) 0.53159(14) 0.0227(5) Uani 1 1 d . . . . .
H24 H 0.9320 0.4242 0.5375 0.027 Uiso 1 1 calc R U . . .
N21 N 0.79651(15) 0.55666(15) 0.42651(12) 0.0201(4) Uani 1 1 d . . . . .
N22 N 0.79353(15) 0.40495(16) 0.47085(12) 0.0207(4) Uani 1 1 d . . . . .
N23 N 0.84521(15) 0.46254(17) 0.60468(12) 0.0237(4) Uani 1 1 d . . . . .
N24 N 0.82830(15) 0.61526(17) 0.55962(12) 0.0233(4) Uani 1 1 d . . . . .
C25 C 0.78140(18) 0.29886(19) 0.46492(15) 0.0223(5) Uani 1 1 d . . . . .
H25A H 0.7572 0.2807 0.4097 0.027 Uiso 1 1 calc R U . . .
H25B H 0.8450 0.2671 0.4854 0.027 Uiso 1 1 calc R U . . .
C26 C 0.84559(19) 0.3811(2) 0.65647(15) 0.0284(6) Uani 1 1 d . . . . .
H26A H 0.8575 0.4065 0.7099 0.034 Uiso 1 1 calc R U . . .
H26B H 0.8991 0.3361 0.6552 0.034 Uiso 1 1 calc R U . . .
O31 O 0.58683(13) 0.23307(13) 0.40050(10) 0.0237(4) Uani 1 1 d . . . . .
O32 O 0.68663(14) 0.39685(15) 0.72537(10) 0.0283(4) Uani 1 1 d . . . . .
C31 C 0.62580(18) 0.22888(17) 0.46986(15) 0.0205(5) Uani 1 1 d . . . . .
C32 C 0.68819(18) 0.33449(18) 0.67681(14) 0.0212(5) Uani 1 1 d . . . . .
C33 C 0.74361(18) 0.24037(19) 0.58850(14) 0.0219(5) Uani 1 1 d . . . . .
H33 H 0.8008 0.1958 0.6035 0.026 Uiso 1 1 calc R U . . .
C34 C 0.65249(18) 0.19145(18) 0.60161(14) 0.0216(5) Uani 1 1 d . . . . .
H34 H 0.6663 0.1241 0.6244 0.026 Uiso 1 1 calc R U . . .
N31 N 0.71594(15) 0.26122(17) 0.50614(12) 0.0232(4) Uani 1 1 d . . . . .
N32 N 0.58715(15) 0.18869(16) 0.52464(12) 0.0222(4) Uani 1 1 d . . . . .
N33 N 0.62380(15) 0.25889(16) 0.65404(12) 0.0218(4) Uani 1 1 d . . . . .
N34 N 0.75615(15) 0.32656(16) 0.63671(12) 0.0225(4) Uani 1 1 d . . . . .
C35 C 0.5027(2) 0.12714(17) 0.50497(16) 0.0251(5) Uani 1 1 d . . . . .
H35A H 0.5163 0.0664 0.5364 0.030 Uiso 1 1 calc R U . . .
H35B H 0.4895 0.1078 0.4499 0.030 Uiso 1 1 calc R U . . .
C36 C 0.55001(18) 0.23578(19) 0.69121(14) 0.0209(5) Uani 1 1 d . . . . .
H36A H 0.5604 0.2759 0.7388 0.025 Uiso 1 1 calc R U . . .
H36B H 0.5561 0.1657 0.7069 0.025 Uiso 1 1 calc R U . . .
N1 N 0.52377(15) 0.33023(16) 0.08929(12) 0.0225(4) Uani 1 1 d . . . . .
O11N O 0.48083(12) 0.33174(13) 0.14231(10) 0.0231(4) Uani 1 1 d . . . . .
O12N O 0.58173(13) 0.39981(14) 0.08828(10) 0.0261(4) Uani 1 1 d . . . . .
O13N O 0.51113(14) 0.26304(15) 0.04153(12) 0.0336(5) Uani 1 1 d . . . . .
N2 N 0.77446(16) 0.03134(15) 0.49351(12) 0.0211(4) Uani 1 1 d . . . . .
O21N O 0.71258(14) 0.02811(14) 0.42953(11) 0.0293(4) Uani 1 1 d . . . . .
O22N O 0.85408(14) 0.07069(16) 0.49963(11) 0.0307(4) Uani 1 1 d . . . . .
O23N O 0.75480(17) -0.00195(18) 0.55202(12) 0.0399(5) Uani 1 1 d . . . . .
N3 N 0.92382(15) 0.37063(16) 0.33053(12) 0.0223(4) Uani 1 1 d . . . . .
O31N O 0.86713(14) 0.34414(15) 0.26706(11) 0.0317(4) Uani 1 1 d . . . . .
O32N O 0.94326(15) 0.45886(14) 0.34362(13) 0.0358(5) Uani 1 1 d . . . . .
O33N O 0.95865(16) 0.30774(15) 0.38043(12) 0.0395(5) Uani 1 1 d . . . . .
N4 N 0.4716(10) 0.5197(8) 0.4650(6) 0.087(3) Uani 0.25 1 d D U P B -1
O41N O 0.5351(12) 0.5193(10) 0.4298(10) 0.075(3) Uani 0.25 1 d D U P B -1
O42N O 0.4731(14) 0.5815(9) 0.5150(8) 0.083(3) Uani 0.25 1 d D U P B -1
O43N O 0.4076(10) 0.4562(12) 0.4489(9) 0.096(4) Uani 0.25 1 d D U P B -1
N5 N 0.5465(8) 0.5060(7) 0.5320(6) 0.080(3) Uani 0.25 1 d D U P C -2
O51N O 0.5547(15) 0.5969(8) 0.5317(8) 0.082(3) Uani 0.25 1 d D U P C -2
O52N O 0.5078(13) 0.4683(9) 0.5792(8) 0.072(4) Uani 0.25 1 d D U P C -2
O53N O 0.5754(13) 0.4556(9) 0.4865(9) 0.083(3) Uani 0.25 1 d D U P C -2
O1W O 0.32994(15) 0.32899(16) 0.26601(11) 0.0309(4) Uani 1 1 d G . . . .
H1WA H 0.2918 0.3757 0.2729 0.046 Uiso 1 1 d G U . . .
H1WB H 0.3278 0.2852 0.3008 0.046 Uiso 1 1 d G U . . .
O2W O 0.57178(17) 0.13735(16) 0.25789(13) 0.0373(5) Uani 1 1 d G . . . .
H2WA H 0.5750 0.1321 0.3068 0.056 Uiso 1 1 d G U . . .
H2WB H 0.5762 0.0772 0.2427 0.056 Uiso 1 1 d G U . . .
O3W O 0.3978(3) 0.0177(2) 0.33221(17) 0.0693(9) Uani 1 1 d G . . . .
H3WA H 0.3687 0.0739 0.3315 0.104 Uiso 1 1 d G U . . .
H3WB H 0.3630 -0.0136 0.2920 0.104 Uiso 1 1 d DG U . . .
Sm1 Sm 0.58355(2) 0.46564(2) 0.21986(2) 0.01536(4) Uani 0.5 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1M 2.5058(17) . ?
Eu1 O2M 2.3994(18) . ?
Eu1 H2MA 2.8059 . ?
Eu1 H2MB 2.8070 . ?
Eu1 O3M 2.4263(18) . ?
Eu1 O4M 2.4343(19) . ?
Eu1 O5M 2.4170(18) . ?
Eu1 O11 2.3772(16) . ?
Eu1 O21 2.4868(17) . ?
Eu1 O11N 2.5156(17) . ?
Eu1 O12N 2.5195(18) . ?
O1M H1MA 0.8700 . ?
O1M H1MB 0.8699 . ?
O1M H1MC 0.8700 . ?
O1M H1MD 0.8699 . ?
O1M Sm1 2.5058(17) . ?
O2M H2MA 0.8701 . ?
O2M H2MB 0.8696 . ?
O2M H2MC 0.8701 . ?
O2M H2MD 0.8696 . ?
O2M Sm1 2.3994(18) . ?
O3M H3MA 0.8696 . ?
O3M H3MB 0.8699 . ?
O3M H3MC 0.8696 . ?
O3M H3MD 0.8699 . ?
O3M Sm1 2.4263(18) . ?
O4M H4MA 0.8703 . ?
O4M H4MB 0.8702 . ?
O4M H4MC 0.8703 . ?
O4M H4MD 0.8702 . ?
O4M Sm1 2.4343(19) . ?
O5M H5MA 0.8702 . ?
O5M H5MB 0.8699 . ?
O5M H5MC 0.8702 . ?
O5M H5MD 0.8699 . ?
O5M Sm1 2.4170(18) . ?
O11 C11 1.238(3) . ?
O11 Sm1 2.3772(16) . ?
O12 C12 1.220(3) . ?
C11 N11 1.349(3) . ?
C11 N12 1.357(3) . ?
C12 N13 1.371(3) . ?
C12 N14 1.362(3) . ?
C13 H13 1.0000 . ?
C13 C14 1.551(4) . ?
C13 N11 1.461(3) . ?
C13 N14 1.437(3) . ?
C14 H14 1.0000 . ?
C14 N12 1.443(3) . ?
C14 N13 1.454(3) . ?
N11 C36 1.453(3) 3_666 ?
N12 C15 1.444(3) . ?
N13 C16 1.448(3) . ?
N14 C35 1.445(3) 3_666 ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 N21 1.437(3) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 N24 1.450(3) . ?
O21 C21 1.227(3) . ?
O21 Sm1 2.4868(17) . ?
O22 C22 1.232(3) . ?
C21 N21 1.351(3) . ?
C21 N22 1.364(3) . ?
C22 N23 1.363(4) . ?
C22 N24 1.362(3) . ?
C23 H23 1.0000 . ?
C23 C24 1.552(4) . ?
C23 N21 1.449(3) . ?
C23 N24 1.445(3) . ?
C24 H24 1.0000 . ?
C24 N22 1.459(3) . ?
C24 N23 1.434(3) . ?
N22 C25 1.453(3) . ?
N23 C26 1.444(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 N31 1.441(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 N34 1.446(3) . ?
O31 C31 1.221(3) . ?
O32 C32 1.220(3) . ?
C31 N31 1.360(3) . ?
C31 N32 1.368(3) . ?
C32 N33 1.371(3) . ?
C32 N34 1.368(3) . ?
C33 H33 1.0000 . ?
C33 C34 1.546(4) . ?
C33 N31 1.452(3) . ?
C33 N34 1.438(3) . ?
C34 H34 1.0000 . ?
C34 N32 1.447(3) . ?
C34 N33 1.452(3) . ?
N32 C35 1.440(3) . ?
N33 C36 1.435(3) . ?
C35 N14 1.445(3) 3_666 ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 N11 1.453(3) 3_666 ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
N1 O11N 1.268(3) . ?
N1 O12N 1.265(3) . ?
N1 O13N 1.232(3) . ?
N1 Sm1 2.921(2) . ?
O11N Sm1 2.5156(17) . ?
O12N Sm1 2.5195(18) . ?
N2 O21N 1.250(3) . ?
N2 O22N 1.244(3) . ?
N2 O23N 1.245(3) . ?
N3 O31N 1.262(3) . ?
N3 O32N 1.239(3) . ?
N3 O33N 1.242(3) . ?
N4 O41N 1.246(8) . ?
N4 O42N 1.226(8) . ?
N4 O43N 1.239(8) . ?
N5 O51N 1.241(8) . ?
N5 O52N 1.244(8) . ?
N5 O53N 1.221(8) . ?
O1W H1WA 0.8703 . ?
O1W H1WB 0.8699 . ?
O2W H2WA 0.8705 . ?
O2W H2WB 0.8697 . ?
O3W H3WA 0.8698 . ?
O3W H3WB 0.8699 . ?

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
O1M Eu1 H2MA 64.2 . . ?
O1M Eu1 H2MB 85.2 . . ?
O1M Eu1 O11N 65.73(6) . . ?
O1M Eu1 O12N 69.61(6) . . ?
O2M Eu1 O1M 80.98(6) . . ?
O2M Eu1 H2MA 17.1 . . ?
O2M Eu1 H2MB 17.0 . . ?
O2M Eu1 O3M 73.78(6) . . ?
O2M Eu1 O4M 146.75(7) . . ?
O2M Eu1 O5M 138.71(6) . . ?
O2M Eu1 O21 69.00(6) . . ?
O2M Eu1 O11N 76.06(6) . . ?
O2M Eu1 O12N 125.95(6) . . ?
H2MA Eu1 H2MB 28.4 . . ?
O3M Eu1 O1M 134.14(6) . . ?
O3M Eu1 H2MA 88.9 . . ?
O3M Eu1 H2MB 60.8 . . ?
O3M Eu1 O4M 75.87(7) . . ?
O3M Eu1 O21 132.19(6) . . ?
O3M Eu1 O11N 71.30(6) . . ?
O3M Eu1 O12N 95.31(6) . . ?
O4M Eu1 O1M 131.06(6) . . ?
O4M Eu1 H2MA 163.7 . . ?
O4M Eu1 H2MB 136.6 . . ?
O4M Eu1 O21 126.17(7) . . ?
O4M Eu1 O11N 106.58(7) . . ?
O4M Eu1 O12N 69.99(6) . . ?
O5M Eu1 O1M 73.94(6) . . ?
O5M Eu1 H2MA 125.1 . . ?
O5M Eu1 H2MB 153.5 . . ?
O5M Eu1 O3M 145.54(7) . . ?
O5M Eu1 O4M 69.71(7) . . ?
O5M Eu1 O21 71.25(6) . . ?
O5M Eu1 O11N 119.98(6) . . ?
O5M Eu1 O12N 74.68(6) . . ?
O11 Eu1 O1M 142.15(6) . . ?
O11 Eu1 O2M 85.60(6) . . ?
O11 Eu1 H2MA 97.5 . . ?
O11 Eu1 H2MB 92.2 . . ?
O11 Eu1 O3M 73.61(6) . . ?
O11 Eu1 O4M 73.02(6) . . ?
O11 Eu1 O5M 94.45(6) . . ?
O11 Eu1 O21 74.64(6) . . ?
O11 Eu1 O11N 143.70(6) . . ?
O11 Eu1 O12N 142.96(6) . . ?
O21 Eu1 O1M 67.51(6) . . ?
O21 Eu1 H2MA 61.0 . . ?
O21 Eu1 H2MB 85.9 . . ?
O21 Eu1 O11N 124.70(6) . . ?
O21 Eu1 O12N 130.77(6) . . ?
O11N Eu1 H2MA 73.0 . . ?
O11N Eu1 H2MB 62.6 . . ?
O11N Eu1 O12N 50.87(6) . . ?
O12N Eu1 H2MA 117.9 . . ?
O12N Eu1 H2MB 113.5 . . ?
Eu1 O1M H1MA 121.1 . . ?
Eu1 O1M H1MB 134.4 . . ?
H1MA O1M H1MB 104.5 . . ?
H1MC O1M H1MD 104.5 . . ?
Sm1 O1M H1MC 121.1 . . ?
Sm1 O1M H1MD 134.4 . . ?
Eu1 O2M H2MA 109.0 . . ?
Eu1 O2M H2MB 109.1 . . ?
H2MA O2M H2MB 104.5 . . ?
H2MC O2M H2MD 104.5 . . ?
Sm1 O2M H2MC 109.0 . . ?
Sm1 O2M H2MD 109.1 . . ?
Eu1 O3M H3MA 128.2 . . ?
Eu1 O3M H3MB 127.3 . . ?
H3MA O3M H3MB 104.5 . . ?
H3MC O3M H3MD 104.5 . . ?
Sm1 O3M H3MC 128.2 . . ?
Sm1 O3M H3MD 127.3 . . ?
Eu1 O4M H4MA 119.8 . . ?
Eu1 O4M H4MB 135.8 . . ?
H4MA O4M H4MB 104.5 . . ?
H4MC O4M H4MD 104.5 . . ?
Sm1 O4M H4MC 119.8 . . ?
Sm1 O4M H4MD 135.8 . . ?
Eu1 O5M H5MA 109.4 . . ?
Eu1 O5M H5MB 109.4 . . ?
H5MA O5M H5MB 104.5 . . ?
H5MC O5M H5MD 104.5 . . ?
Sm1 O5M H5MC 109.4 . . ?
Sm1 O5M H5MD 109.4 . . ?
C11 O11 Eu1 159.31(16) . . ?
C11 O11 Sm1 159.31(16) . . ?
O11 C11 N11 124.9(2) . . ?
O11 C11 N12 125.2(2) . . ?
N11 C11 N12 109.9(2) . . ?
O12 C12 N13 126.2(3) . . ?
O12 C12 N14 125.3(3) . . ?
N14 C12 N13 108.5(2) . . ?
C14 C13 H13 111.6 . . ?
N11 C13 H13 111.6 . . ?
N11 C13 C14 103.38(19) . . ?
N14 C13 H13 111.6 . . ?
N14 C13 C14 103.3(2) . . ?
N14 C13 N11 114.6(2) . . ?
C13 C14 H14 111.7 . . ?
N12 C14 C13 102.66(19) . . ?
N12 C14 H14 111.7 . . ?
N12 C14 N13 115.3(2) . . ?
N13 C14 C13 103.0(2) . . ?
N13 C14 H14 111.7 . . ?
C11 N11 C13 110.96(19) . . ?
C11 N11 C36 121.64(19) . 3_666 ?
C36 N11 C13 123.0(2) 3_666 . ?
C11 N12 C14 112.2(2) . . ?
C11 N12 C15 123.3(2) . . ?
C14 N12 C15 124.3(2) . . ?
C12 N13 C14 111.4(2) . . ?
C12 N13 C16 122.1(2) . . ?
C16 N13 C14 124.1(2) . . ?
C12 N14 C13 112.7(2) . . ?
C12 N14 C35 123.5(2) . 3_666 ?
C13 N14 C35 123.6(2) . 3_666 ?
N12 C15 H15A 108.9 . . ?
N12 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
N21 C15 N12 113.2(2) . . ?
N21 C15 H15A 108.9 . . ?
N21 C15 H15B 108.9 . . ?
N13 C16 H16A 109.0 . . ?
N13 C16 H16B 109.0 . . ?
N13 C16 N24 113.1(2) . . ?
H16A C16 H16B 107.8 . . ?
N24 C16 H16A 109.0 . . ?
N24 C16 H16B 109.0 . . ?
C21 O21 Eu1 156.49(17) . . ?
C21 O21 Sm1 156.49(17) . . ?
O21 C21 N21 125.8(2) . . ?
O21 C21 N22 124.9(2) . . ?
N21 C21 N22 109.3(2) . . ?
O22 C22 N23 125.2(3) . . ?
O22 C22 N24 125.9(3) . . ?
N24 C22 N23 108.8(2) . . ?
C24 C23 H23 111.7 . . ?
N21 C23 H23 111.7 . . ?
N21 C23 C24 102.8(2) . . ?
N24 C23 H23 111.7 . . ?
N24 C23 C24 103.2(2) . . ?
N24 C23 N21 115.1(2) . . ?
C23 C24 H24 111.5 . . ?
N22 C24 C23 103.29(19) . . ?
N22 C24 H24 111.5 . . ?
N23 C24 C23 103.2(2) . . ?
N23 C24 H24 111.5 . . ?
N23 C24 N22 115.3(2) . . ?
C15 N21 C23 124.3(2) . . ?
C21 N21 C15 122.8(2) . . ?
C21 N21 C23 112.7(2) . . ?
C21 N22 C24 111.4(2) . . ?
C21 N22 C25 122.3(2) . . ?
C25 N22 C24 123.8(2) . . ?
C22 N23 C24 112.3(2) . . ?
C22 N23 C26 123.4(2) . . ?
C24 N23 C26 124.2(2) . . ?
C22 N24 C16 124.2(2) . . ?
C22 N24 C23 111.5(2) . . ?
C23 N24 C16 122.9(2) . . ?
N22 C25 H25A 108.9 . . ?
N22 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
N31 C25 N22 113.4(2) . . ?
N31 C25 H25A 108.9 . . ?
N31 C25 H25B 108.9 . . ?
N23 C26 H26A 109.0 . . ?
N23 C26 H26B 109.0 . . ?
N23 C26 N34 112.8(2) . . ?
H26A C26 H26B 107.8 . . ?
N34 C26 H26A 109.0 . . ?
N34 C26 H26B 109.0 . . ?
O31 C31 N31 126.2(2) . . ?
O31 C31 N32 125.9(2) . . ?
N31 C31 N32 107.9(2) . . ?
O32 C32 N33 126.3(2) . . ?
O32 C32 N34 125.8(2) . . ?
N34 C32 N33 107.9(2) . . ?
C34 C33 H33 111.8 . . ?
N31 C33 H33 111.8 . . ?
N31 C33 C34 103.2(2) . . ?
N34 C33 H33 111.8 . . ?
N34 C33 C34 103.4(2) . . ?
N34 C33 N31 114.2(2) . . ?
C33 C34 H34 111.9 . . ?
N32 C34 C33 103.1(2) . . ?
N32 C34 H34 111.9 . . ?
N32 C34 N33 114.2(2) . . ?
N33 C34 C33 103.3(2) . . ?
N33 C34 H34 111.9 . . ?
C25 N31 C33 123.7(2) . . ?
C31 N31 C25 122.9(2) . . ?
C31 N31 C33 112.9(2) . . ?
C31 N32 C34 112.9(2) . . ?
C31 N32 C35 122.5(2) . . ?
C35 N32 C34 122.6(2) . . ?
C32 N33 C34 112.2(2) . . ?
C32 N33 C36 123.6(2) . . ?
C36 N33 C34 122.7(2) . . ?
C32 N34 C26 123.3(2) . . ?
C32 N34 C33 112.9(2) . . ?
C33 N34 C26 121.6(2) . . ?
N14 C35 H35A 108.7 3_666 . ?
N14 C35 H35B 108.7 3_666 . ?
N32 C35 N14 114.2(2) . 3_666 ?
N32 C35 H35A 108.7 . . ?
N32 C35 H35B 108.7 . . ?
H35A C35 H35B 107.6 . . ?
N11 C36 H36A 108.8 3_666 . ?
N11 C36 H36B 108.8 3_666 . ?
N33 C36 N11 113.9(2) . 3_666 ?
N33 C36 H36A 108.8 . . ?
N33 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
O11N N1 Eu1 59.04(11) . . ?
O11N N1 Sm1 59.04(11) . . ?
O12N N1 Eu1 59.20(12) . . ?
O12N N1 O11N 117.2(2) . . ?
O12N N1 Sm1 59.20(12) . . ?
O13N N1 Eu1 168.98(17) . . ?
O13N N1 O11N 121.6(2) . . ?
O13N N1 O12N 121.2(2) . . ?
O13N N1 Sm1 168.98(17) . . ?
N1 O11N Eu1 95.35(13) . . ?
N1 O11N Sm1 95.35(13) . . ?
N1 O12N Eu1 95.24(14) . . ?
N1 O12N Sm1 95.24(14) . . ?
O22N N2 O21N 120.6(2) . . ?
O22N N2 O23N 119.8(2) . . ?
O23N N2 O21N 119.6(2) . . ?
O32N N3 O31N 120.4(2) . . ?
O32N N3 O33N 120.2(2) . . ?
O33N N3 O31N 119.5(2) . . ?
O42N N4 O41N 120.3(7) . . ?
O42N N4 O43N 120.9(7) . . ?
O43N N4 O41N 118.8(7) . . ?
O51N N5 O52N 118.3(7) . . ?
O53N N5 O51N 120.4(7) . . ?
O53N N5 O52N 121.4(7) . . ?
H1WA O1W H1WB 104.5 . . ?
H2WA O2W H2WB 104.5 . . ?
H3WA O3W H3WB 104.5 . . ?
O1M Sm1 O11N 65.73(6) . . ?
O1M Sm1 O12N 69.61(6) . . ?
O2M Sm1 O1M 80.98(6) . . ?
O2M Sm1 O3M 73.78(6) . . ?
O2M Sm1 O4M 146.75(7) . . ?
O2M Sm1 O5M 138.71(6) . . ?
O2M Sm1 O21 69.00(6) . . ?
O2M Sm1 O11N 76.06(6) . . ?
O2M Sm1 O12N 125.95(6) . . ?
O3M Sm1 O1M 134.14(6) . . ?
O3M Sm1 O4M 75.87(7) . . ?
O3M Sm1 O21 132.19(6) . . ?
O3M Sm1 O11N 71.30(6) . . ?
O3M Sm1 O12N 95.31(6) . . ?
O4M Sm1 O1M 131.06(6) . . ?
O4M Sm1 O21 126.17(7) . . ?
O4M Sm1 O11N 106.58(7) . . ?
O4M Sm1 O12N 69.99(6) . . ?
O5M Sm1 O1M 73.94(6) . . ?
O5M Sm1 O3M 145.54(7) . . ?
O5M Sm1 O4M 69.71(7) . . ?
O5M Sm1 O21 71.25(6) . . ?
O5M Sm1 O11N 119.98(6) . . ?
O5M Sm1 O12N 74.68(6) . . ?
O11 Sm1 O1M 142.15(6) . . ?
O11 Sm1 O2M 85.60(6) . . ?
O11 Sm1 O3M 73.61(6) . . ?
O11 Sm1 O4M 73.02(6) . . ?
O11 Sm1 O5M 94.45(6) . . ?
O11 Sm1 O21 74.64(6) . . ?
O11 Sm1 O11N 143.70(6) . . ?
O11 Sm1 O12N 142.96(6) . . ?
O21 Sm1 O1M 67.51(6) . . ?
O21 Sm1 O11N 124.70(6) . . ?
O21 Sm1 O12N 130.77(6) . . ?
O11N Sm1 O12N 50.87(6) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_km784-3
_database_code_depnum_ccdc_archive 'CCDC 2336764'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2024-03-01 deposited with the CCDC.	2024-06-14 downloaded from the CCDC.
;
_audit_creation_date             2024-02-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C18 H28 Eu0.5 Gd0.5 N13 O14), 5(N O3), 6(H2 O)'
_chemical_formula_sum            'C36 H68 Eu Gd N31 O49'
_chemical_formula_weight         2028.42
_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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   13.4267(3)
_cell_length_b                   14.4721(4)
_cell_length_c                   18.2429(4)
_cell_angle_alpha                73.8016(10)
_cell_angle_beta                 87.3486(10)
_cell_angle_gamma                87.8007(11)
_cell_volume                     3399.26(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9690
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.13
_cell_measurement_theta_min      2.83
_shelx_estimated_absorpt_T_max   0.888
_shelx_estimated_absorpt_T_min   0.779
_exptl_absorpt_coefficient_mu    2.021
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.6848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0834 before and 0.0485 after correction.
The Ratio of minimum to maximum transmission is 0.9173.
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    1.982
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            59465
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_min         1.879
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_special_details          ?
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16715
_reflns_number_total             18997
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.052
_refine_diff_density_min         -1.551
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.203
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1209
_refine_ls_number_reflns         18997
_refine_ls_number_restraints     276
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0453
_refine_ls_restrained_S_all      1.198
_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)+21.8207P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1010
_refine_ls_wR_factor_ref         0.1035
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Shared sites
{Eu2, Gd2}
{Eu1, Gd1}
3. Restrained distances
 H2WA-H3WA
 2.12 with sigma of 0.02
 O12_$1-H3WB
 2.1 with sigma of 0.04
 N7-O71N \\sim N7-O72N \\sim N7-O73N \\sim N7A-O71A \\sim N7A-O72A \\sim
N7A-O73A \\sim N8-O81N \\sim N8-
 O82N \\sim N8-O83N \\sim N8A-O81A \\sim N8A-O82A \\sim N8A-O83A
 with sigma of 0.01
 O71N-O72N \\sim O72N-O73N \\sim O73N-O71N \\sim O81N-O82N \\sim O82N-O83N
\\sim O83N-O81N
 with sigma of 0.01
4. Restrained planarity
 N7A, O71A, O72A, O73A
 with sigma of 0.03
5. Uiso/Uaniso restraints and constraints
N7 \\sim O71N \\sim O72N \\sim O73N \\sim N7A \\sim O71A \\sim O72A \\sim O73A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N8 \\sim O81N \\sim O82N \\sim O83N \\sim N8A \\sim O81A \\sim O82A \\sim O83A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N4 \\sim O41N \\sim O42N \\sim O43N: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 2A
Uanis(Eu2) = Uanis(Gd2)
Uanis(Eu1) = Uanis(Gd1)
6. Others
 Fixed Sof: Eu1(0.5) Eu2(0.5) N7(0.25) O71N(0.25) O72N(0.25) O73N(0.25)
 N7A(0.25) O71A(0.25) O72A(0.25) O73A(0.25) N8(0.25) O81N(0.25) O82N(0.25)
 O83N(0.25) N8A(0.25) O81A(0.25) O82A(0.25) O83A(0.25) Gd2(0.5) Gd1(0.5)
7.a Free rotating group:
 O11M(H11A,H11B), O13M(H13A,H13B), O14M(H14A,H14B), O21M(H21A,H21B), O25M(H25C,
 H25D), O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB),
 O5W(H5WA,H5WB), O6W(H6WA,H6WB)
7.b Rotating group:
 O12M(H12A,H12B), O15M(H15A,H15B), O22M(H22A,H22B), O23M(H23A,H23B), O24M(H24A,
 H24B)
7.c Ternary CH refined with riding coordinates:
 C13(H13), C14(H14), C23(H23), C24(H24), C33(H33), C34(H34), C43(H43),
 C44(H44), C53(H53), C54(H54), C63(H63), C64(H64)
7.d Secondary CH2 refined with riding coordinates:
 C15(H15C,H15D), C16(H16A,H16B), C25(H25A,H25B), C26(H26A,H26B), C35(H35A,
 H35B), C36(H36A,H36B), C45(H45A,H45B), C46(H46A,H46B), C55(H55A,H55B),
 C56(H56A,H56B), C65(H65A,H65B), C66(H66A,H66B)
;
_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 0.95225(2) 0.91768(2) 0.22460(2) 0.01287(5) Uani 0.5 1 d . . P A 3
O11M O 0.7871(3) 0.8399(3) 0.2439(2) 0.0245(7) Uani 1 1 d G . . . .
H11A H 0.7292 0.8662 0.2506 0.037 Uiso 1 1 d G U . A .
H11B H 0.7806 0.7792 0.2672 0.037 Uiso 1 1 d G U . A .
O12M O 0.9905(2) 0.7588(2) 0.21131(18) 0.0195(6) Uani 1 1 d . . . . .
H12A H 0.9361 0.7256 0.2196 0.029 Uiso 1 1 d R U . A .
H12B H 1.0084 0.7627 0.1639 0.029 Uiso 1 1 d R U . . .
O13M O 1.0868(3) 0.9261(3) 0.1296(2) 0.0267(8) Uani 1 1 d G . . . .
H13A H 1.0831 0.9076 0.0883 0.040 Uiso 1 1 d G U . A .
H13B H 1.1495 0.9384 0.1313 0.040 Uiso 1 1 d G U . A .
O14M O 1.0053(3) 1.0835(2) 0.18815(18) 0.0216(7) Uani 1 1 d G . . . .
H14A H 1.0432 1.1096 0.2140 0.032 Uiso 1 1 d G U . A .
H14B H 1.0084 1.1216 0.1419 0.032 Uiso 1 1 d G U . A .
O15M O 0.8741(3) 0.9970(2) 0.3117(2) 0.0302(8) Uani 1 1 d . . . . .
H15A H 0.8537 1.0546 0.2868 0.045 Uiso 1 1 d R U . A .
H15B H 0.8198 0.9676 0.3318 0.045 Uiso 1 1 d R U . . .
N1 N 0.8193(3) 0.9743(3) 0.0963(2) 0.0191(8) Uani 1 1 d . . . . .
O11N O 0.8217(2) 1.0202(2) 0.14652(19) 0.0204(7) Uani 1 1 d . . . . .
O12N O 0.8862(3) 0.9108(3) 0.09800(19) 0.0236(7) Uani 1 1 d . . . . .
O13N O 0.7521(3) 0.9901(3) 0.0505(2) 0.0310(9) Uani 1 1 d . . . . .
O11 O 1.1049(2) 0.9162(2) 0.28599(17) 0.0172(6) Uani 1 1 d . . . . .
O12 O 1.2902(2) 0.8317(2) 0.59540(18) 0.0207(7) Uani 1 1 d . . . . .
C11 C 1.1720(3) 0.8849(3) 0.3313(2) 0.0134(8) Uani 1 1 d . . . . .
C12 C 1.2873(3) 0.8316(3) 0.5284(2) 0.0153(8) Uani 1 1 d . . . . .
C13 C 1.3177(3) 0.8783(3) 0.3964(2) 0.0134(8) Uani 1 1 d . . . . .
H13 H 1.3839 0.8774 0.3691 0.016 Uiso 1 1 calc R U . . .
C14 C 1.2710(3) 0.7777(3) 0.4202(2) 0.0134(7) Uani 1 1 d . . . . .
H14 H 1.3186 0.7269 0.4110 0.016 Uiso 1 1 calc R U . . .
N11 N 1.2443(3) 0.9384(3) 0.3468(2) 0.0140(7) Uani 1 1 d . . . . .
N12 N 1.1858(3) 0.7915(3) 0.3719(2) 0.0149(7) Uani 1 1 d . . . . .
N13 N 1.2469(3) 0.7630(3) 0.5013(2) 0.0165(7) Uani 1 1 d . . . . .
N14 N 1.3268(3) 0.9003(3) 0.4678(2) 0.0144(7) Uani 1 1 d . . . . .
C15 C 1.1204(3) 0.7148(3) 0.3704(2) 0.0139(8) Uani 1 1 d . . . . .
H15C H 1.0917 0.7293 0.3193 0.017 Uiso 1 1 calc R U . . .
H15D H 1.1603 0.6540 0.3784 0.017 Uiso 1 1 calc R U . . .
C16 C 1.2101(3) 0.6738(3) 0.5518(2) 0.0161(8) Uani 1 1 d . . . . .
H16A H 1.2376 0.6193 0.5336 0.019 Uiso 1 1 calc R U . . .
H16B H 1.2344 0.6658 0.6036 0.019 Uiso 1 1 calc R U . . .
O21 O 0.9271(2) 0.8050(2) 0.35336(17) 0.0179(6) Uani 1 1 d . . . . .
O22 O 1.0769(2) 0.6860(2) 0.67860(17) 0.0201(7) Uani 1 1 d . . . . .
C21 C 0.9512(3) 0.7477(3) 0.4141(2) 0.0139(8) Uani 1 1 d . . . . .
C22 C 1.0457(3) 0.6735(3) 0.6200(2) 0.0151(8) Uani 1 1 d . . . . .
C23 C 1.0454(3) 0.6363(3) 0.5039(2) 0.0127(7) Uani 1 1 d . . . . .
H23 H 1.0670 0.5696 0.5031 0.015 Uiso 1 1 calc R U . . .
C24 C 0.9366(3) 0.6400(3) 0.5360(2) 0.0138(8) Uani 1 1 d . . . . .
H24 H 0.9027 0.5777 0.5424 0.017 Uiso 1 1 calc R U . . .
N21 N 1.0405(3) 0.7012(3) 0.4274(2) 0.0147(7) Uani 1 1 d . . . . .
N22 N 0.8898(3) 0.7187(3) 0.4775(2) 0.0143(7) Uani 1 1 d . . . . .
N23 N 0.9490(3) 0.6589(3) 0.6082(2) 0.0154(7) Uani 1 1 d . . . . .
N24 N 1.1021(3) 0.6704(3) 0.5560(2) 0.0159(7) Uani 1 1 d . . . . .
C25 C 0.7825(3) 0.7369(3) 0.4748(2) 0.0152(8) Uani 1 1 d . . . . .
H25A H 0.7646 0.7637 0.4208 0.018 Uiso 1 1 calc R U . . .
H25B H 0.7486 0.6749 0.4951 0.018 Uiso 1 1 calc R U . . .
C26 C 0.8672(3) 0.6635(3) 0.6615(2) 0.0148(8) Uani 1 1 d . . . . .
H26A H 0.8931 0.6498 0.7135 0.018 Uiso 1 1 calc R U . . .
H26B H 0.8193 0.6130 0.6619 0.018 Uiso 1 1 calc R U . . .
O31 O 0.7148(2) 0.9351(2) 0.41517(18) 0.0198(6) Uani 1 1 d . . . . .
O32 O 0.8916(2) 0.8207(2) 0.72720(18) 0.0199(6) Uani 1 1 d . . . . .
C31 C 0.7113(3) 0.8932(3) 0.4842(2) 0.0160(8) Uani 1 1 d . . . . .
C32 C 0.8265(3) 0.8232(3) 0.6819(2) 0.0149(8) Uani 1 1 d . . . . .
C33 C 0.7261(3) 0.7728(3) 0.5998(2) 0.0143(8) Uani 1 1 d . . . . .
H33 H 0.6805 0.7172 0.6159 0.017 Uiso 1 1 calc R U . . .
C34 C 0.6789(3) 0.8650(3) 0.6158(2) 0.0145(8) Uani 1 1 d . . . . .
H34 H 0.6128 0.8521 0.6438 0.017 Uiso 1 1 calc R U . . .
N31 N 0.7458(3) 0.8025(3) 0.5175(2) 0.0170(7) Uani 1 1 d . . . . .
N32 N 0.6688(3) 0.9301(3) 0.5398(2) 0.0158(7) Uani 1 1 d . . . . .
N33 N 0.7516(3) 0.8916(3) 0.6616(2) 0.0157(7) Uani 1 1 d . . . . .
N34 N 0.8157(3) 0.7561(3) 0.6429(2) 0.0152(7) Uani 1 1 d . . . . .
C35 C 0.6156(3) 1.0221(3) 0.5249(2) 0.0163(8) Uani 1 1 d . . . . .
H35A H 0.5907 1.0387 0.4725 0.020 Uiso 1 1 calc R U . . .
H35B H 0.5568 1.0153 0.5607 0.020 Uiso 1 1 calc R U . . .
C36 C 0.7337(3) 0.9649(3) 0.7008(2) 0.0160(8) Uani 1 1 d . . . . .
H36A H 0.7754 0.9498 0.7462 0.019 Uiso 1 1 calc R U . . .
H36B H 0.6630 0.9636 0.7188 0.019 Uiso 1 1 calc R U . . .
Eu2 Eu 0.46481(2) 0.57285(2) 0.28442(2) 0.01309(5) Uani 0.5 1 d . . P B 1
O21M O 0.5958(3) 0.5658(3) 0.3735(2) 0.0284(8) Uani 1 1 d G . . . .
H21A H 0.5841 0.5842 0.4147 0.043 Uiso 1 1 d G U . B .
H21B H 0.6605 0.5650 0.3678 0.043 Uiso 1 1 d G U . B .
O22M O 0.4911(3) 0.7322(2) 0.29558(19) 0.0206(7) Uani 1 1 d . . . . .
H22A H 0.4935 0.7302 0.3438 0.031 Uiso 1 1 d R U . B .
H22B H 0.4392 0.7692 0.2795 0.031 Uiso 1 1 d R U . . .
O23M O 0.2976(2) 0.6567(2) 0.27220(18) 0.0193(6) Uani 1 1 d . . . . .
H23A H 0.2558 0.6236 0.2548 0.029 Uiso 1 1 d R U . B .
H23B H 0.3011 0.7114 0.2369 0.029 Uiso 1 1 d R U . . .
O24M O 0.3951(3) 0.5052(2) 0.19330(19) 0.0239(7) Uani 1 1 d . . . . .
H24A H 0.3709 0.4492 0.2167 0.036 Uiso 1 1 d R U . B .
H24B H 0.3437 0.5401 0.1734 0.036 Uiso 1 1 d R U . . .
O25M O 0.5180(3) 0.4055(2) 0.31907(19) 0.0256(8) Uani 1 1 d G . . . .
H25C H 0.5496 0.3719 0.2922 0.038 Uiso 1 1 d G U . B .
H25D H 0.5067 0.3648 0.3636 0.038 Uiso 1 1 d G U . B .
N2 N 0.3231(3) 0.5145(3) 0.4134(2) 0.0175(7) Uani 1 1 d . . . . .
O21N O 0.3270(2) 0.4723(2) 0.36114(18) 0.0192(6) Uani 1 1 d . . . . .
O22N O 0.3928(2) 0.5713(2) 0.41325(18) 0.0191(6) Uani 1 1 d . . . . .
O23N O 0.2544(3) 0.5023(3) 0.4612(2) 0.0269(8) Uani 1 1 d . . . . .
O41 O 0.4478(2) 0.6924(2) 0.15945(17) 0.0171(6) Uani 1 1 d . . . . .
O42 O 0.6118(3) 0.8143(2) -0.17092(18) 0.0218(7) Uani 1 1 d . . . . .
C41 C 0.4755(3) 0.7510(3) 0.0999(2) 0.0142(8) Uani 1 1 d . . . . .
C42 C 0.5797(3) 0.8238(3) -0.1091(3) 0.0160(8) Uani 1 1 d . . . . .
C43 C 0.4694(3) 0.8637(3) -0.0200(2) 0.0159(8) Uani 1 1 d . . . . .
H43 H 0.4401 0.9301 -0.0276 0.019 Uiso 1 1 calc R U . . .
C44 C 0.5776(3) 0.8554(3) 0.0090(2) 0.0162(8) Uani 1 1 d . . . . .
H44 H 0.6010 0.9186 0.0128 0.019 Uiso 1 1 calc R U . . .
N41 N 0.4156(3) 0.7931(3) 0.0407(2) 0.0149(7) Uani 1 1 d . . . . .
N42 N 0.5690(3) 0.7859(3) 0.0830(2) 0.0162(7) Uani 1 1 d . . . . .
N43 N 0.6349(3) 0.8225(3) -0.0487(2) 0.0172(7) Uani 1 1 d . . . . .
N44 N 0.4820(3) 0.8390(3) -0.0911(2) 0.0154(7) Uani 1 1 d . . . . .
C45 C 0.6475(3) 0.7620(3) 0.1366(2) 0.0156(8) Uani 1 1 d . . . . .
H45A H 0.6178 0.7484 0.1891 0.019 Uiso 1 1 calc R U . . .
H45B H 0.6907 0.8182 0.1284 0.019 Uiso 1 1 calc R U . . .
C46 C 0.7419(3) 0.8064(3) -0.0474(3) 0.0177(8) Uani 1 1 d . . . . .
H46A H 0.7719 0.8543 -0.0261 0.021 Uiso 1 1 calc R U . . .
H46B H 0.7688 0.8164 -0.1004 0.021 Uiso 1 1 calc R U . . .
O51 O 0.6158(2) 0.5639(2) 0.21591(18) 0.0190(6) Uani 1 1 d . . . . .
O52 O 0.8061(2) 0.6470(2) -0.10416(17) 0.0206(7) Uani 1 1 d . . . . .
C51 C 0.6850(3) 0.5880(3) 0.1678(2) 0.0146(8) Uani 1 1 d . . . . .
C52 C 0.8038(3) 0.6406(3) -0.0353(2) 0.0166(8) Uani 1 1 d . . . . .
C53 C 0.7937(3) 0.6846(3) 0.0781(2) 0.0150(8) Uani 1 1 d . . . . .
H53 H 0.8461 0.7266 0.0879 0.018 Uiso 1 1 calc R U . . .
C54 C 0.8304(3) 0.5783(3) 0.0952(2) 0.0152(8) Uani 1 1 d . . . . .
H54 H 0.8962 0.5675 0.1203 0.018 Uiso 1 1 calc R U . . .
N51 N 0.7080(3) 0.6798(3) 0.1300(2) 0.0152(7) Uani 1 1 d . . . . .
N52 N 0.7508(3) 0.5262(3) 0.1458(2) 0.0143(7) Uani 1 1 d . . . . .
N53 N 0.8374(3) 0.5623(3) 0.0203(2) 0.0157(7) Uani 1 1 d . . . . .
N54 N 0.7704(3) 0.7098(3) -0.0021(2) 0.0175(7) Uani 1 1 d . . . . .
C55 C 0.7575(3) 0.4255(3) 0.1901(2) 0.0169(8) Uani 1 1 d . . . . .
H55A H 0.8271 0.4095 0.2060 0.020 Uiso 1 1 calc R U . . .
H55B H 0.7144 0.4162 0.2370 0.020 Uiso 1 1 calc R U . . .
C56 C 0.8765(3) 0.4752(3) 0.0047(2) 0.0156(8) Uani 1 1 d . . . . .
H56A H 0.9366 0.4533 0.0349 0.019 Uiso 1 1 calc R U . . .
H56B H 0.8975 0.4902 -0.0500 0.019 Uiso 1 1 calc R U . . .
O61 O 0.5905(3) 0.2971(3) 0.22484(19) 0.0235(7) Uani 1 1 d . . . . .
O62 O 0.7634(2) 0.4101(2) -0.10176(17) 0.0180(6) Uani 1 1 d . . . . .
C61 C 0.6532(3) 0.2961(3) 0.1739(2) 0.0176(8) Uani 1 1 d . . . . .
C62 C 0.7639(3) 0.3669(3) -0.0335(2) 0.0147(8) Uani 1 1 d . . . . .
C63 C 0.7976(3) 0.3291(3) 0.0963(2) 0.0145(8) Uani 1 1 d . . . . .
H63 H 0.8639 0.3092 0.1193 0.017 Uiso 1 1 calc R U . . .
C64 C 0.7449(3) 0.2437(3) 0.0806(2) 0.0157(8) Uani 1 1 d . . . . .
H64 H 0.7890 0.1846 0.0906 0.019 Uiso 1 1 calc R U . . .
N61 N 0.7282(3) 0.3604(3) 0.1484(2) 0.0165(7) Uani 1 1 d . . . . .
N62 N 0.6594(3) 0.2310(3) 0.1326(2) 0.0174(7) Uani 1 1 d . . . . .
N63 N 0.7222(3) 0.2799(3) 0.0002(2) 0.0150(7) Uani 1 1 d . . . . .
N64 N 0.8073(3) 0.3974(3) 0.0217(2) 0.0158(7) Uani 1 1 d . . . . .
C65 C 0.5955(3) 0.1488(3) 0.1461(2) 0.0181(8) Uani 1 1 d . . . . .
H65A H 0.5638 0.1368 0.1979 0.022 Uiso 1 1 calc R U . . .
H65B H 0.6372 0.0913 0.1449 0.022 Uiso 1 1 calc R U . . .
C66 C 0.6911(3) 0.2186(3) -0.0441(2) 0.0151(8) Uani 1 1 d . . . . .
H66A H 0.7242 0.1545 -0.0253 0.018 Uiso 1 1 calc R U . . .
H66B H 0.7135 0.2461 -0.0980 0.018 Uiso 1 1 calc R U . . .
N3 N 1.0324(3) 0.7858(3) 0.0080(2) 0.0192(8) Uani 1 1 d . . . . .
O31N O 1.0717(3) 0.8645(3) 0.0002(2) 0.0294(8) Uani 1 1 d . . . . .
O32N O 1.0301(3) 0.7233(3) 0.07173(19) 0.0257(7) Uani 1 1 d . . . . .
O33N O 0.9977(3) 0.7667(3) -0.0483(2) 0.0298(8) Uani 1 1 d . . . . .
N4 N 0.8701(3) 0.5781(3) 0.3301(3) 0.0284(9) Uani 1 1 d . U . . .
O41N O 0.8092(4) 0.5476(4) 0.3823(3) 0.0681(17) Uani 1 1 d . U . . .
O42N O 0.8431(3) 0.6334(3) 0.2688(2) 0.0383(10) Uani 1 1 d . U . . .
O43N O 0.9602(3) 0.5556(3) 0.3408(3) 0.0404(10) Uani 1 1 d . U . . .
N5 N 0.5301(3) 0.7236(3) 0.4918(2) 0.0188(8) Uani 1 1 d . . . . .
O51N O 0.5589(3) 0.6386(3) 0.4997(2) 0.0284(8) Uani 1 1 d . . . . .
O52N O 0.5294(3) 0.7830(3) 0.42647(19) 0.0291(8) Uani 1 1 d . . . . .
O53N O 0.5045(3) 0.7518(3) 0.5489(2) 0.0293(8) Uani 1 1 d . . . . .
N6 N 1.3636(3) 0.9248(3) 0.1610(2) 0.0205(8) Uani 1 1 d . . . . .
O61N O 1.3447(3) 0.8609(3) 0.2223(2) 0.0306(8) Uani 1 1 d . . . . .
O62N O 1.4524(3) 0.9481(3) 0.1409(3) 0.0377(10) Uani 1 1 d . . . . .
O63N O 1.2956(3) 0.9652(3) 0.1195(2) 0.0364(9) Uani 1 1 d . . . . .
N7 N 1.022(2) 1.017(2) 0.4685(19) 0.095(5) Uani 0.25 1 d D U P C -1
O71N O 1.013(3) 0.956(2) 0.432(2) 0.091(5) Uani 0.25 1 d D U P C -1
O72N O 1.0965(19) 1.012(3) 0.5077(19) 0.092(5) Uani 0.25 1 d D U P C -1
O73N O 0.971(2) 1.093(2) 0.4502(18) 0.102(7) Uani 0.25 1 d D U P C -1
N7A N 0.9950(18) 0.9674(18) 0.5318(14) 0.092(5) Uani 0.25 1 d D U P D -2
O71A O 0.939(2) 0.951(3) 0.4851(19) 0.092(5) Uani 0.25 1 d D U P D -2
O72A O 0.976(3) 1.012(3) 0.580(2) 0.085(6) Uani 0.25 1 d D U P D -2
O73A O 1.082(2) 0.934(3) 0.5300(19) 0.094(5) Uani 0.25 1 d D U P D -2
N8 N 0.530(2) 0.499(2) 0.0247(17) 0.089(5) Uani 0.25 1 d D U P E -1
O81N O 0.520(2) 0.552(2) 0.0678(16) 0.085(5) Uani 0.25 1 d D U P E -1
O82N O 0.476(2) 0.429(2) 0.0353(17) 0.091(5) Uani 0.25 1 d D U P E -1
O83N O 0.5981(16) 0.512(3) -0.0251(15) 0.086(5) Uani 0.25 1 d D U P E -1
N8A N 0.495(2) 0.546(3) -0.037(2) 0.088(5) Uani 0.25 1 d D U P F -2
O81A O 0.581(2) 0.576(3) -0.0478(17) 0.091(5) Uani 0.25 1 d D U P F -2
O82A O 0.445(2) 0.551(3) 0.0211(14) 0.088(5) Uani 0.25 1 d D U P F -2
O83A O 0.4677(19) 0.496(2) -0.0770(15) 0.077(6) Uani 0.25 1 d D U P F -2
O1W O 0.8225(3) 1.1810(3) 0.2719(2) 0.0266(8) Uani 1 1 d G . . . .
H1WA H 0.7827 1.1831 0.3105 0.040 Uiso 1 1 d G U . . .
H1WB H 0.8761 1.2092 0.2789 0.040 Uiso 1 1 d G U . . .
O2W O 0.6037(4) 0.9205(3) 0.2539(3) 0.0482(12) Uani 1 1 d G . . . .
H2WA H 0.6031 0.9640 0.2787 0.072 Uiso 1 1 d DG U . . .
H2WB H 0.5576 0.9400 0.2205 0.072 Uiso 1 1 d G U . . .
O3W O 0.5715(4) 1.0706(4) 0.3311(2) 0.0507(13) Uani 1 1 d G . . . .
H3WA H 0.6024 1.0295 0.3678 0.076 Uiso 1 1 d DG U . . .
H3WB H 0.5841 1.1264 0.3371 0.076 Uiso 1 1 d DG U . . .
O4W O 1.1387(3) 0.5665(3) 0.2444(2) 0.0283(8) Uani 1 1 d G . . . .
H4WA H 1.1338 0.5531 0.2010 0.042 Uiso 1 1 d G U . . .
H4WB H 1.0772 0.5711 0.2606 0.042 Uiso 1 1 d G U . . .
O5W O 0.6772(3) 0.6656(3) 0.7764(2) 0.0261(7) Uani 1 1 d G . . . .
H5WA H 0.6344 0.7096 0.7827 0.039 Uiso 1 1 d G U . . .
H5WB H 0.7226 0.6641 0.8093 0.039 Uiso 1 1 d G U . . .
O6W O 0.9952(3) 0.6080(4) 0.8333(2) 0.0450(12) Uani 1 1 d G . . . .
H6WA H 0.9405 0.6371 0.8432 0.068 Uiso 1 1 d G U . . .
H6WB H 1.0058 0.6310 0.7842 0.068 Uiso 1 1 d G U . . .
Gd2 Gd 0.46481(2) 0.57285(2) 0.28442(2) 0.01309(5) Uani 0.5 1 d . . P B 2
Gd1 Gd 0.95225(2) 0.91768(2) 0.22460(2) 0.01287(5) Uani 0.5 1 d . . P A 4


_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 O11M 2.491(3) . ?
Eu1 O12M 2.412(3) . ?
Eu1 O13M 2.427(3) . ?
Eu1 O14M 2.430(3) . ?
Eu1 O15M 2.390(3) . ?
Eu1 H15A 2.8063 . ?
Eu1 H15B 2.8063 . ?
Eu1 O11N 2.481(3) . ?
Eu1 O12N 2.541(3) . ?
Eu1 O11 2.377(3) . ?
Eu1 O21 2.474(3) . ?
O11M H11A 0.8699 . ?
O11M H11B 0.8692 . ?
O11M Gd1 2.491(3) . ?
O12M H12A 0.8736 . ?
O12M H12B 0.8738 . ?
O12M Gd1 2.412(3) . ?
O13M H13A 0.8714 . ?
O13M H13B 0.8702 . ?
O13M Gd1 2.427(3) . ?
O14M H14A 0.8723 . ?
O14M H14B 0.8700 . ?
O14M Gd1 2.430(3) . ?
O15M H15A 0.8712 . ?
O15M H15B 0.8715 . ?
O15M Gd1 2.390(3) . ?
N1 O11N 1.274(5) . ?
N1 O12N 1.256(5) . ?
N1 O13N 1.230(5) . ?
N1 Gd1 2.922(4) . ?
O11N Gd1 2.481(3) . ?
O12N Gd1 2.541(3) . ?
O11 C11 1.237(5) . ?
O11 Gd1 2.377(3) . ?
O12 C12 1.226(5) . ?
C11 N11 1.351(5) . ?
C11 N12 1.358(5) . ?
C12 N13 1.365(6) . ?
C12 N14 1.366(5) . ?
C13 H13 1.0000 . ?
C13 C14 1.547(6) . ?
C13 N11 1.457(5) . ?
C13 N14 1.437(5) . ?
C14 H14 1.0000 . ?
C14 N12 1.450(5) . ?
C14 N13 1.457(5) . ?
N11 C36 1.459(5) 2_776 ?
N12 C15 1.449(5) . ?
N13 C16 1.450(5) . ?
N14 C35 1.428(5) 2_776 ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C15 N21 1.439(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 N24 1.450(5) . ?
O21 C21 1.233(5) . ?
O21 Gd1 2.474(3) . ?
O22 C22 1.227(5) . ?
C21 N21 1.350(5) . ?
C21 N22 1.364(5) . ?
C22 N23 1.360(6) . ?
C22 N24 1.373(5) . ?
C23 H23 1.0000 . ?
C23 C24 1.553(6) . ?
C23 N21 1.451(5) . ?
C23 N24 1.444(5) . ?
C24 H24 1.0000 . ?
C24 N22 1.470(5) . ?
C24 N23 1.436(5) . ?
N22 C25 1.455(5) . ?
N23 C26 1.444(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 N31 1.447(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 N34 1.445(5) . ?
O31 C31 1.236(5) . ?
O32 C32 1.222(5) . ?
C31 N31 1.356(6) . ?
C31 N32 1.365(5) . ?
C32 N33 1.372(6) . ?
C32 N34 1.371(5) . ?
C33 H33 1.0000 . ?
C33 C34 1.550(6) . ?
C33 N31 1.456(5) . ?
C33 N34 1.442(5) . ?
C34 H34 1.0000 . ?
C34 N32 1.452(5) . ?
C34 N33 1.443(5) . ?
N32 C35 1.449(6) . ?
N33 C36 1.444(5) . ?
C35 N14 1.428(5) 2_776 ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 N11 1.459(5) 2_776 ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
Eu2 O21M 2.430(3) . ?
Eu2 O22M 2.412(3) . ?
Eu2 O23M 2.500(3) . ?
Eu2 O24M 2.391(3) . ?
Eu2 H24A 2.8053 . ?
Eu2 H24B 2.8054 . ?
Eu2 O25M 2.414(3) . ?
Eu2 O21N 2.516(3) . ?
Eu2 O22N 2.494(3) . ?
Eu2 O41 2.461(3) . ?
Eu2 O51 2.350(3) . ?
O21M H21A 0.8703 . ?
O21M H21B 0.8705 . ?
O21M Gd2 2.430(3) . ?
O22M H22A 0.8744 . ?
O22M H22B 0.8724 . ?
O22M Gd2 2.412(3) . ?
O23M H23A 0.8746 . ?
O23M H23B 0.8717 . ?
O23M Gd2 2.500(3) . ?
O24M H24A 0.8708 . ?
O24M H24B 0.8707 . ?
O24M Gd2 2.391(3) . ?
O25M H25C 0.8695 . ?
O25M H25D 0.8713 . ?
O25M Gd2 2.414(3) . ?
N2 O21N 1.266(5) . ?
N2 O22N 1.268(5) . ?
N2 O23N 1.223(5) . ?
N2 Gd2 2.911(4) . ?
O21N Gd2 2.516(3) . ?
O22N Gd2 2.494(3) . ?
O41 C41 1.229(5) . ?
O41 Gd2 2.461(3) . ?
O42 C42 1.229(5) . ?
C41 N41 1.365(5) . ?
C41 N42 1.361(5) . ?
C42 N43 1.351(6) . ?
C42 N44 1.362(6) . ?
C43 H43 1.0000 . ?
C43 C44 1.559(6) . ?
C43 N41 1.463(5) . ?
C43 N44 1.439(5) . ?
C44 H44 1.0000 . ?
C44 N42 1.443(5) . ?
C44 N43 1.451(5) . ?
N41 C66 1.445(5) 2_665 ?
N42 C45 1.438(6) . ?
N43 C46 1.447(6) . ?
N44 C65 1.452(6) 2_665 ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 N51 1.445(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 N54 1.459(6) . ?
O51 C51 1.238(5) . ?
O51 Gd2 2.350(3) . ?
O52 C52 1.232(5) . ?
C51 N51 1.354(5) . ?
C51 N52 1.360(5) . ?
C52 N53 1.371(6) . ?
C52 N54 1.361(6) . ?
C53 H53 1.0000 . ?
C53 C54 1.548(6) . ?
C53 N51 1.447(5) . ?
C53 N54 1.452(5) . ?
C54 H54 1.0000 . ?
C54 N52 1.464(5) . ?
C54 N53 1.446(5) . ?
N52 C55 1.458(5) . ?
N53 C56 1.442(5) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 N61 1.442(6) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 N64 1.445(5) . ?
O61 C61 1.228(5) . ?
O62 C62 1.228(5) . ?
C61 N61 1.372(6) . ?
C61 N62 1.360(6) . ?
C62 N63 1.367(5) . ?
C62 N64 1.367(5) . ?
C63 H63 1.0000 . ?
C63 C64 1.547(6) . ?
C63 N61 1.449(5) . ?
C63 N64 1.445(5) . ?
C64 H64 1.0000 . ?
C64 N62 1.438(5) . ?
C64 N63 1.455(5) . ?
N62 C65 1.451(6) . ?
N63 C66 1.440(5) . ?
C65 N44 1.452(6) 2_665 ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 N41 1.445(5) 2_665 ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
N3 O31N 1.242(5) . ?
N3 O32N 1.258(5) . ?
N3 O33N 1.251(5) . ?
N4 O41N 1.220(6) . ?
N4 O42N 1.240(6) . ?
N4 O43N 1.251(6) . ?
N5 O51N 1.246(5) . ?
N5 O52N 1.260(5) . ?
N5 O53N 1.251(5) . ?
N6 O61N 1.258(5) . ?
N6 O62N 1.261(5) . ?
N6 O63N 1.234(5) . ?
N7 O71N 1.249(10) . ?
N7 O72N 1.243(10) . ?
N7 O73N 1.247(10) . ?
N7A O71A 1.239(10) . ?
N7A O72A 1.246(10) . ?
N7A O73A 1.243(10) . ?
N8 O81N 1.243(10) . ?
N8 O82N 1.245(10) . ?
N8 O83N 1.240(10) . ?
N8A O81A 1.245(10) . ?
N8A O82A 1.242(10) . ?
N8A O83A 1.245(10) . ?
O1W H1WA 0.8708 . ?
O1W H1WB 0.8716 . ?
O2W H2WA 0.8709 . ?
O2W H2WB 0.8707 . ?
O3W H3WA 0.8715 . ?
O3W H3WB 0.8691 . ?
O4W H4WA 0.8712 . ?
O4W H4WB 0.8704 . ?
O5W H5WA 0.8694 . ?
O5W H5WB 0.8711 . ?
O6W H6WA 0.8689 . ?
O6W H6WB 0.8717 . ?

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
O11M Eu1 H15A 84.3 . . ?
O11M Eu1 H15B 64.0 . . ?
O11M Eu1 O12N 69.19(12) . . ?
O12M Eu1 O11M 76.33(12) . . ?
O12M Eu1 O13M 70.53(12) . . ?
O12M Eu1 O14M 144.40(12) . . ?
O12M Eu1 H15A 155.8 . . ?
O12M Eu1 H15B 127.4 . . ?
O12M Eu1 O11N 119.91(11) . . ?
O12M Eu1 O12N 72.41(11) . . ?
O12M Eu1 O21 73.78(11) . . ?
O13M Eu1 O11M 132.42(12) . . ?
O13M Eu1 O14M 74.20(13) . . ?
O13M Eu1 H15A 133.6 . . ?
O13M Eu1 H15B 161.2 . . ?
O13M Eu1 O11N 101.16(12) . . ?
O13M Eu1 O12N 68.84(12) . . ?
O13M Eu1 O21 130.55(12) . . ?
O14M Eu1 O11M 134.24(12) . . ?
O14M Eu1 H15A 59.5 . . ?
O14M Eu1 H15B 87.3 . . ?
O14M Eu1 O11N 71.45(11) . . ?
O14M Eu1 O12N 99.26(11) . . ?
O14M Eu1 O21 129.56(11) . . ?
O15M Eu1 O11M 80.57(13) . . ?
O15M Eu1 O12M 141.23(11) . . ?
O15M Eu1 O13M 144.40(13) . . ?
O15M Eu1 O14M 71.73(12) . . ?
O15M Eu1 H15A 17.0 . . ?
O15M Eu1 H15B 17.0 . . ?
O15M Eu1 O11N 77.50(12) . . ?
O15M Eu1 O12N 126.66(13) . . ?
O15M Eu1 O21 68.62(11) . . ?
H15A Eu1 H15B 28.4 . . ?
O11N Eu1 O11M 67.40(11) . . ?
O11N Eu1 H15A 63.5 . . ?
O11N Eu1 H15B 75.6 . . ?
O11N Eu1 O12N 50.82(11) . . ?
O12N Eu1 H15A 114.2 . . ?
O12N Eu1 H15B 118.8 . . ?
O11 Eu1 O11M 141.71(11) . . ?
O11 Eu1 O12M 90.63(11) . . ?
O11 Eu1 O13M 72.40(11) . . ?
O11 Eu1 O14M 74.15(11) . . ?
O11 Eu1 O15M 88.58(13) . . ?
O11 Eu1 H15A 95.8 . . ?
O11 Eu1 H15B 99.5 . . ?
O11 Eu1 O11N 145.41(11) . . ?
O11 Eu1 O12N 140.96(11) . . ?
O11 Eu1 O21 74.96(10) . . ?
O21 Eu1 O11M 66.87(11) . . ?
O21 Eu1 H15A 85.4 . . ?
O21 Eu1 H15B 59.9 . . ?
O21 Eu1 O11N 126.26(11) . . ?
O21 Eu1 O12N 129.30(11) . . ?
Eu1 O11M H11A 127.3 . . ?
Eu1 O11M H11B 122.0 . . ?
H11A O11M H11B 104.5 . . ?
Gd1 O11M H11A 127.3 . . ?
Gd1 O11M H11B 122.0 . . ?
Eu1 O12M H12A 109.3 . . ?
Eu1 O12M H12B 109.7 . . ?
H12A O12M H12B 104.4 . . ?
Gd1 O12M H12A 109.3 . . ?
Gd1 O12M H12B 109.7 . . ?
Eu1 O13M H13A 124.9 . . ?
Eu1 O13M H13B 129.8 . . ?
H13A O13M H13B 104.6 . . ?
Gd1 O13M H13A 124.9 . . ?
Gd1 O13M H13B 129.8 . . ?
Eu1 O14M H14A 126.5 . . ?
Eu1 O14M H14B 125.8 . . ?
H14A O14M H14B 104.6 . . ?
Gd1 O14M H14A 126.5 . . ?
Gd1 O14M H14B 125.8 . . ?
Eu1 O15M H15A 109.7 . . ?
Eu1 O15M H15B 109.7 . . ?
H15A O15M H15B 104.5 . . ?
Gd1 O15M H15A 109.7 . . ?
Gd1 O15M H15B 109.7 . . ?
O11N N1 Eu1 57.4(2) . . ?
O11N N1 Gd1 57.4(2) . . ?
O12N N1 Eu1 60.1(2) . . ?
O12N N1 O11N 116.8(4) . . ?
O12N N1 Gd1 60.1(2) . . ?
O13N N1 Eu1 169.8(3) . . ?
O13N N1 O11N 120.8(4) . . ?
O13N N1 O12N 122.3(4) . . ?
O13N N1 Gd1 169.8(3) . . ?
N1 O11N Eu1 96.9(2) . . ?
N1 O11N Gd1 96.9(2) . . ?
N1 O12N Eu1 94.6(3) . . ?
N1 O12N Gd1 94.6(3) . . ?
C11 O11 Eu1 158.0(3) . . ?
C11 O11 Gd1 158.0(3) . . ?
O11 C11 N11 125.1(4) . . ?
O11 C11 N12 125.4(4) . . ?
N11 C11 N12 109.5(4) . . ?
O12 C12 N13 126.7(4) . . ?
O12 C12 N14 125.0(4) . . ?
N13 C12 N14 108.3(4) . . ?
C14 C13 H13 111.7 . . ?
N11 C13 H13 111.7 . . ?
N11 C13 C14 103.6(3) . . ?
N14 C13 H13 111.7 . . ?
N14 C13 C14 103.4(3) . . ?
N14 C13 N11 114.2(3) . . ?
C13 C14 H14 111.8 . . ?
N12 C14 C13 102.5(3) . . ?
N12 C14 H14 111.8 . . ?
N12 C14 N13 115.2(3) . . ?
N13 C14 C13 102.9(3) . . ?
N13 C14 H14 111.8 . . ?
C11 N11 C13 111.3(3) . . ?
C11 N11 C36 122.9(3) . 2_776 ?
C13 N11 C36 122.2(3) . 2_776 ?
C11 N12 C14 112.3(3) . . ?
C11 N12 C15 124.3(4) . . ?
C15 N12 C14 123.4(3) . . ?
C12 N13 C14 111.8(3) . . ?
C12 N13 C16 122.0(4) . . ?
C16 N13 C14 124.0(4) . . ?
C12 N14 C13 112.7(3) . . ?
C12 N14 C35 123.9(4) . 2_776 ?
C35 N14 C13 122.7(4) 2_776 . ?
N12 C15 H15C 108.9 . . ?
N12 C15 H15D 108.9 . . ?
H15C C15 H15D 107.8 . . ?
N21 C15 N12 113.2(3) . . ?
N21 C15 H15C 108.9 . . ?
N21 C15 H15D 108.9 . . ?
N13 C16 H16A 109.0 . . ?
N13 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
N24 C16 N13 112.9(3) . . ?
N24 C16 H16A 109.0 . . ?
N24 C16 H16B 109.0 . . ?
C21 O21 Eu1 156.9(3) . . ?
C21 O21 Gd1 156.9(3) . . ?
O21 C21 N21 125.6(4) . . ?
O21 C21 N22 124.9(4) . . ?
N21 C21 N22 109.5(4) . . ?
O22 C22 N23 125.4(4) . . ?
O22 C22 N24 126.1(4) . . ?
N23 C22 N24 108.5(4) . . ?
C24 C23 H23 111.8 . . ?
N21 C23 H23 111.8 . . ?
N21 C23 C24 102.8(3) . . ?
N24 C23 H23 111.8 . . ?
N24 C23 C24 103.0(3) . . ?
N24 C23 N21 114.8(3) . . ?
C23 C24 H24 111.5 . . ?
N22 C24 C23 103.0(3) . . ?
N22 C24 H24 111.5 . . ?
N23 C24 C23 103.2(3) . . ?
N23 C24 H24 111.5 . . ?
N23 C24 N22 115.4(3) . . ?
C15 N21 C23 124.6(3) . . ?
C21 N21 C15 122.6(3) . . ?
C21 N21 C23 112.7(3) . . ?
C21 N22 C24 111.0(3) . . ?
C21 N22 C25 121.9(3) . . ?
C25 N22 C24 123.1(3) . . ?
C22 N23 C24 112.5(4) . . ?
C22 N23 C26 124.0(4) . . ?
C24 N23 C26 123.5(4) . . ?
C22 N24 C16 123.1(4) . . ?
C22 N24 C23 111.4(3) . . ?
C23 N24 C16 123.2(4) . . ?
N22 C25 H25A 108.7 . . ?
N22 C25 H25B 108.7 . . ?
H25A C25 H25B 107.6 . . ?
N31 C25 N22 114.0(3) . . ?
N31 C25 H25A 108.7 . . ?
N31 C25 H25B 108.7 . . ?
N23 C26 H26A 109.1 . . ?
N23 C26 H26B 109.1 . . ?
N23 C26 N34 112.6(3) . . ?
H26A C26 H26B 107.8 . . ?
N34 C26 H26A 109.1 . . ?
N34 C26 H26B 109.1 . . ?
O31 C31 N31 126.3(4) . . ?
O31 C31 N32 125.2(4) . . ?
N31 C31 N32 108.4(4) . . ?
O32 C32 N33 126.9(4) . . ?
O32 C32 N34 125.2(4) . . ?
N34 C32 N33 107.9(4) . . ?
C34 C33 H33 112.2 . . ?
N31 C33 H33 112.2 . . ?
N31 C33 C34 103.0(3) . . ?
N34 C33 H33 112.2 . . ?
N34 C33 C34 103.6(3) . . ?
N34 C33 N31 113.2(3) . . ?
C33 C34 H34 111.6 . . ?
N32 C34 C33 103.0(3) . . ?
N32 C34 H34 111.6 . . ?
N33 C34 C33 103.1(3) . . ?
N33 C34 H34 111.6 . . ?
N33 C34 N32 115.2(3) . . ?
C25 N31 C33 123.1(4) . . ?
C31 N31 C25 123.4(4) . . ?
C31 N31 C33 112.7(4) . . ?
C31 N32 C34 112.5(4) . . ?
C31 N32 C35 124.1(4) . . ?
C35 N32 C34 123.3(4) . . ?
C32 N33 C34 112.4(4) . . ?
C32 N33 C36 121.5(4) . . ?
C34 N33 C36 123.7(4) . . ?
C32 N34 C26 123.4(4) . . ?
C32 N34 C33 112.4(4) . . ?
C33 N34 C26 121.3(4) . . ?
N14 C35 N32 114.7(4) 2_776 . ?
N14 C35 H35A 108.6 2_776 . ?
N14 C35 H35B 108.6 2_776 . ?
N32 C35 H35A 108.6 . . ?
N32 C35 H35B 108.6 . . ?
H35A C35 H35B 107.6 . . ?
N11 C36 H36A 108.9 2_776 . ?
N11 C36 H36B 108.9 2_776 . ?
N33 C36 N11 113.3(3) . 2_776 ?
N33 C36 H36A 108.9 . . ?
N33 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
O21M Eu2 O23M 130.87(11) . . ?
O21M Eu2 H24A 138.8 . . ?
O21M Eu2 H24B 164.7 . . ?
O21M Eu2 O21N 105.60(12) . . ?
O21M Eu2 O22N 69.06(11) . . ?
O21M Eu2 O41 126.07(12) . . ?
O22M Eu2 O21M 70.53(13) . . ?
O22M Eu2 O23M 73.84(11) . . ?
O22M Eu2 H24A 150.5 . . ?
O22M Eu2 H24B 122.2 . . ?
O22M Eu2 O25M 147.08(13) . . ?
O22M Eu2 O21N 120.55(11) . . ?
O22M Eu2 O22N 75.19(11) . . ?
O22M Eu2 O41 69.90(11) . . ?
O23M Eu2 H24A 82.9 . . ?
O23M Eu2 H24B 64.1 . . ?
O23M Eu2 O21N 66.04(10) . . ?
O24M Eu2 O21M 147.71(12) . . ?
O24M Eu2 O22M 136.50(11) . . ?
O24M Eu2 O23M 80.32(11) . . ?
O24M Eu2 H24A 17.0 . . ?
O24M Eu2 H24B 17.0 . . ?
O24M Eu2 O25M 74.12(12) . . ?
O24M Eu2 O21N 77.29(11) . . ?
O24M Eu2 O22N 127.13(11) . . ?
O24M Eu2 O41 68.12(11) . . ?
H24A Eu2 H24B 28.4 . . ?
O25M Eu2 O21M 76.66(14) . . ?
O25M Eu2 O23M 133.41(12) . . ?
O25M Eu2 H24A 62.2 . . ?
O25M Eu2 H24B 89.9 . . ?
O25M Eu2 O21N 70.68(11) . . ?
O25M Eu2 O22N 95.74(11) . . ?
O25M Eu2 O41 131.81(11) . . ?
O21N Eu2 H24A 62.8 . . ?
O21N Eu2 H24B 76.1 . . ?
O22N Eu2 O23M 69.93(11) . . ?
O22N Eu2 H24A 113.8 . . ?
O22N Eu2 H24B 120.4 . . ?
O22N Eu2 O21N 51.08(10) . . ?
O41 Eu2 O23M 67.85(10) . . ?
O41 Eu2 H24A 84.7 . . ?
O41 Eu2 H24B 58.8 . . ?
O41 Eu2 O21N 125.70(10) . . ?
O41 Eu2 O22N 130.83(11) . . ?
O51 Eu2 O21M 74.18(12) . . ?
O51 Eu2 O22M 94.78(11) . . ?
O51 Eu2 O23M 142.01(11) . . ?
O51 Eu2 O24M 84.53(12) . . ?
O51 Eu2 H24A 92.5 . . ?
O51 Eu2 H24B 95.2 . . ?
O51 Eu2 O25M 73.44(11) . . ?
O51 Eu2 O21N 142.98(11) . . ?
O51 Eu2 O22N 143.18(11) . . ?
O51 Eu2 O41 74.19(11) . . ?
Eu2 O21M H21A 120.9 . . ?
Eu2 O21M H21B 131.9 . . ?
H21A O21M H21B 104.3 . . ?
Gd2 O21M H21A 120.9 . . ?
Gd2 O21M H21B 131.9 . . ?
Eu2 O22M H22A 109.5 . . ?
Eu2 O22M H22B 109.5 . . ?
H22A O22M H22B 104.5 . . ?
Gd2 O22M H22A 109.5 . . ?
Gd2 O22M H22B 109.5 . . ?
Eu2 O23M H23A 109.4 . . ?
Eu2 O23M H23B 109.6 . . ?
H23A O23M H23B 104.3 . . ?
Gd2 O23M H23A 109.4 . . ?
Gd2 O23M H23B 109.6 . . ?
Eu2 O24M H24A 109.5 . . ?
Eu2 O24M H24B 109.6 . . ?
H24A O24M H24B 104.4 . . ?
Gd2 O24M H24A 109.5 . . ?
Gd2 O24M H24B 109.6 . . ?
Eu2 O25M H25C 130.4 . . ?
Eu2 O25M H25D 124.8 . . ?
H25C O25M H25D 104.7 . . ?
Gd2 O25M H25C 130.4 . . ?
Gd2 O25M H25D 124.8 . . ?
O21N N2 Eu2 59.4(2) . . ?
O21N N2 O22N 117.0(4) . . ?
O21N N2 Gd2 59.4(2) . . ?
O22N N2 Eu2 58.5(2) . . ?
O22N N2 Gd2 58.5(2) . . ?
O23N N2 Eu2 169.7(3) . . ?
O23N N2 O21N 121.5(4) . . ?
O23N N2 O22N 121.5(4) . . ?
O23N N2 Gd2 169.7(3) . . ?
N2 O21N Eu2 94.9(2) . . ?
N2 O21N Gd2 94.9(2) . . ?
N2 O22N Eu2 95.8(2) . . ?
N2 O22N Gd2 95.8(2) . . ?
C41 O41 Eu2 157.0(3) . . ?
C41 O41 Gd2 157.0(3) . . ?
O41 C41 N41 124.8(4) . . ?
O41 C41 N42 126.1(4) . . ?
N42 C41 N41 109.1(4) . . ?
O42 C42 N43 126.1(4) . . ?
O42 C42 N44 125.1(4) . . ?
N43 C42 N44 108.8(4) . . ?
C44 C43 H43 111.7 . . ?
N41 C43 H43 111.7 . . ?
N41 C43 C44 103.3(3) . . ?
N44 C43 H43 111.7 . . ?
N44 C43 C44 103.1(3) . . ?
N44 C43 N41 114.7(4) . . ?
C43 C44 H44 111.8 . . ?
N42 C44 C43 103.0(3) . . ?
N42 C44 H44 111.8 . . ?
N42 C44 N43 115.2(4) . . ?
N43 C44 C43 102.7(3) . . ?
N43 C44 H44 111.8 . . ?
C41 N41 C43 111.6(3) . . ?
C41 N41 C66 123.3(4) . 2_665 ?
C66 N41 C43 124.3(4) 2_665 . ?
C41 N42 C44 112.9(4) . . ?
C41 N42 C45 122.8(4) . . ?
C45 N42 C44 124.1(4) . . ?
C42 N43 C44 112.0(4) . . ?
C42 N43 C46 123.8(4) . . ?
C46 N43 C44 123.3(4) . . ?
C42 N44 C43 112.2(4) . . ?
C42 N44 C65 122.3(4) . 2_665 ?
C43 N44 C65 124.0(4) . 2_665 ?
N42 C45 H45A 109.0 . . ?
N42 C45 H45B 109.0 . . ?
N42 C45 N51 112.9(4) . . ?
H45A C45 H45B 107.8 . . ?
N51 C45 H45A 109.0 . . ?
N51 C45 H45B 109.0 . . ?
N43 C46 H46A 109.1 . . ?
N43 C46 H46B 109.1 . . ?
N43 C46 N54 112.4(3) . . ?
H46A C46 H46B 107.8 . . ?
N54 C46 H46A 109.1 . . ?
N54 C46 H46B 109.1 . . ?
C51 O51 Eu2 159.8(3) . . ?
C51 O51 Gd2 159.8(3) . . ?
O51 C51 N51 125.5(4) . . ?
O51 C51 N52 125.1(4) . . ?
N51 C51 N52 109.5(4) . . ?
O52 C52 N53 124.9(4) . . ?
O52 C52 N54 126.3(4) . . ?
N54 C52 N53 108.8(4) . . ?
C54 C53 H53 111.7 . . ?
N51 C53 H53 111.7 . . ?
N51 C53 C54 103.0(3) . . ?
N51 C53 N54 114.7(3) . . ?
N54 C53 H53 111.7 . . ?
N54 C53 C54 103.5(3) . . ?
C53 C54 H54 111.9 . . ?
N52 C54 C53 103.1(3) . . ?
N52 C54 H54 111.9 . . ?
N53 C54 C53 103.0(3) . . ?
N53 C54 H54 111.9 . . ?
N53 C54 N52 114.6(3) . . ?
C45 N51 C53 124.5(4) . . ?
C51 N51 C45 122.9(4) . . ?
C51 N51 C53 112.4(4) . . ?
C51 N52 C54 111.1(3) . . ?
C51 N52 C55 120.3(3) . . ?
C55 N52 C54 125.0(3) . . ?
C52 N53 C54 112.2(4) . . ?
C52 N53 C56 123.2(4) . . ?
C56 N53 C54 124.6(4) . . ?
C52 N54 C46 121.7(4) . . ?
C52 N54 C53 111.5(4) . . ?
C53 N54 C46 124.6(4) . . ?
N52 C55 H55A 109.0 . . ?
N52 C55 H55B 109.0 . . ?
H55A C55 H55B 107.8 . . ?
N61 C55 N52 112.9(3) . . ?
N61 C55 H55A 109.0 . . ?
N61 C55 H55B 109.0 . . ?
N53 C56 H56A 108.6 . . ?
N53 C56 H56B 108.6 . . ?
N53 C56 N64 114.6(3) . . ?
H56A C56 H56B 107.6 . . ?
N64 C56 H56A 108.6 . . ?
N64 C56 H56B 108.6 . . ?
O61 C61 N61 126.2(4) . . ?
O61 C61 N62 125.4(4) . . ?
N62 C61 N61 108.4(4) . . ?
O62 C62 N63 126.0(4) . . ?
O62 C62 N64 125.7(4) . . ?
N63 C62 N64 108.3(4) . . ?
C64 C63 H63 111.8 . . ?
N61 C63 H63 111.8 . . ?
N61 C63 C64 103.5(3) . . ?
N64 C63 H63 111.8 . . ?
N64 C63 C64 103.5(3) . . ?
N64 C63 N61 113.9(3) . . ?
C63 C64 H64 111.8 . . ?
N62 C64 C63 103.0(3) . . ?
N62 C64 H64 111.8 . . ?
N62 C64 N63 114.8(4) . . ?
N63 C64 C63 103.0(3) . . ?
N63 C64 H64 111.8 . . ?
C55 N61 C63 121.3(4) . . ?
C61 N61 C55 122.8(4) . . ?
C61 N61 C63 111.3(4) . . ?
C61 N62 C64 112.9(4) . . ?
C61 N62 C65 124.1(4) . . ?
C64 N62 C65 122.5(4) . . ?
C62 N63 C64 112.2(3) . . ?
C62 N63 C66 121.7(3) . . ?
C66 N63 C64 122.8(3) . . ?
C62 N64 C56 123.1(4) . . ?
C62 N64 C63 112.5(4) . . ?
C63 N64 C56 122.6(4) . . ?
N44 C65 H65A 108.8 2_665 . ?
N44 C65 H65B 108.8 2_665 . ?
N62 C65 N44 113.8(3) . 2_665 ?
N62 C65 H65A 108.8 . . ?
N62 C65 H65B 108.8 . . ?
H65A C65 H65B 107.7 . . ?
N41 C66 H66A 108.9 2_665 . ?
N41 C66 H66B 108.9 2_665 . ?
N63 C66 N41 113.4(3) . 2_665 ?
N63 C66 H66A 108.9 . . ?
N63 C66 H66B 108.9 . . ?
H66A C66 H66B 107.7 . . ?
O31N N3 O32N 120.7(4) . . ?
O31N N3 O33N 120.0(4) . . ?
O33N N3 O32N 119.2(4) . . ?
O41N N4 O42N 120.3(5) . . ?
O41N N4 O43N 118.8(5) . . ?
O42N N4 O43N 120.8(4) . . ?
O51N N5 O52N 120.5(4) . . ?
O51N N5 O53N 120.4(4) . . ?
O53N N5 O52N 119.1(4) . . ?
O61N N6 O62N 120.4(4) . . ?
O63N N6 O61N 120.5(4) . . ?
O63N N6 O62N 119.0(4) . . ?
O72N N7 O71N 119.1(9) . . ?
O72N N7 O73N 119.6(9) . . ?
O73N N7 O71N 118.8(9) . . ?
O71A N7A O72A 128(3) . . ?
O71A N7A O73A 116(3) . . ?
O73A N7A O72A 116(3) . . ?
O81N N8 O82N 119.6(7) . . ?
O83N N8 O81N 120.2(7) . . ?
O83N N8 O82N 120.1(7) . . ?
O81A N8A O83A 118(3) . . ?
O82A N8A O81A 120(3) . . ?
O82A N8A O83A 121(3) . . ?
H1WA O1W H1WB 104.4 . . ?
H2WA O2W H2WB 104.6 . . ?
H3WA O3W H3WB 104.4 . . ?
H4WA O4W H4WB 104.4 . . ?
H5WA O5W H5WB 104.3 . . ?
H6WA O6W H6WB 104.5 . . ?
O21M Gd2 O23M 130.87(11) . . ?
O21M Gd2 O21N 105.60(12) . . ?
O21M Gd2 O22N 69.06(11) . . ?
O21M Gd2 O41 126.07(12) . . ?
O22M Gd2 O21M 70.53(13) . . ?
O22M Gd2 O23M 73.84(11) . . ?
O22M Gd2 O25M 147.08(13) . . ?
O22M Gd2 O21N 120.55(11) . . ?
O22M Gd2 O22N 75.19(11) . . ?
O22M Gd2 O41 69.90(11) . . ?
O23M Gd2 O21N 66.04(10) . . ?
O24M Gd2 O21M 147.71(12) . . ?
O24M Gd2 O22M 136.50(11) . . ?
O24M Gd2 O23M 80.32(11) . . ?
O24M Gd2 O25M 74.12(12) . . ?
O24M Gd2 O21N 77.29(11) . . ?
O24M Gd2 O22N 127.13(11) . . ?
O24M Gd2 O41 68.12(11) . . ?
O25M Gd2 O21M 76.66(14) . . ?
O25M Gd2 O23M 133.41(12) . . ?
O25M Gd2 O21N 70.68(11) . . ?
O25M Gd2 O22N 95.74(11) . . ?
O25M Gd2 O41 131.81(11) . . ?
O22N Gd2 O23M 69.93(11) . . ?
O22N Gd2 O21N 51.08(10) . . ?
O41 Gd2 O23M 67.85(10) . . ?
O41 Gd2 O21N 125.70(10) . . ?
O41 Gd2 O22N 130.83(11) . . ?
O51 Gd2 O21M 74.18(12) . . ?
O51 Gd2 O22M 94.78(11) . . ?
O51 Gd2 O23M 142.01(11) . . ?
O51 Gd2 O24M 84.53(12) . . ?
O51 Gd2 O25M 73.44(11) . . ?
O51 Gd2 O21N 142.98(11) . . ?
O51 Gd2 O22N 143.18(11) . . ?
O51 Gd2 O41 74.19(11) . . ?
O11M Gd1 O12N 69.19(12) . . ?
O12M Gd1 O11M 76.33(12) . . ?
O12M Gd1 O13M 70.53(12) . . ?
O12M Gd1 O14M 144.40(12) . . ?
O12M Gd1 O11N 119.91(11) . . ?
O12M Gd1 O12N 72.41(11) . . ?
O12M Gd1 O21 73.78(11) . . ?
O13M Gd1 O11M 132.42(12) . . ?
O13M Gd1 O14M 74.20(13) . . ?
O13M Gd1 O11N 101.16(12) . . ?
O13M Gd1 O12N 68.84(12) . . ?
O13M Gd1 O21 130.55(12) . . ?
O14M Gd1 O11M 134.24(12) . . ?
O14M Gd1 O11N 71.45(11) . . ?
O14M Gd1 O12N 99.26(11) . . ?
O14M Gd1 O21 129.56(11) . . ?
O15M Gd1 O11M 80.57(13) . . ?
O15M Gd1 O12M 141.23(11) . . ?
O15M Gd1 O13M 144.40(13) . . ?
O15M Gd1 O14M 71.73(12) . . ?
O15M Gd1 O11N 77.50(12) . . ?
O15M Gd1 O12N 126.66(13) . . ?
O15M Gd1 O21 68.62(11) . . ?
O11N Gd1 O11M 67.40(11) . . ?
O11N Gd1 O12N 50.82(11) . . ?
O11 Gd1 O11M 141.71(11) . . ?
O11 Gd1 O12M 90.63(11) . . ?
O11 Gd1 O13M 72.40(11) . . ?
O11 Gd1 O14M 74.15(11) . . ?
O11 Gd1 O15M 88.58(13) . . ?
O11 Gd1 O11N 145.41(11) . . ?
O11 Gd1 O12N 140.96(11) . . ?
O11 Gd1 O21 74.96(10) . . ?
O21 Gd1 O11M 66.87(11) . . ?
O21 Gd1 O11N 126.26(11) . . ?
O21 Gd1 O12N 129.30(11) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT430_km784-3             
;
PROBLEM: Short Inter D...A Contact O23N ..O41N . 2.84 Ang.
1-x,1-y,1-z = 2_666 Check
RESPONSE: O41N atom of one of the nitrates shows unresolved disorder
which reduces the observed distance.
;
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_km789-6
_database_code_depnum_ccdc_archive 'CCDC 2336763'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2024-03-01 deposited with the CCDC.	2024-06-14 downloaded from the CCDC.
;
_audit_creation_date             2024-03-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C18 H28 Dy0.5 Eu0.5 N13 O14), 5(N O3), 6(H2 O)'
_chemical_formula_sum            'C36 H68 Dy Eu N31 O49'
_chemical_formula_weight         2033.67
_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'
Dy Dy -0.1892 4.4098 '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                   13.4214(5)
_cell_length_b                   14.4818(6)
_cell_length_c                   18.2079(7)
_cell_angle_alpha                73.8732(13)
_cell_angle_beta                 87.4439(13)
_cell_angle_gamma                87.9242(12)
_cell_volume                     3395.3(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3677
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.54
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.814
_shelx_estimated_absorpt_T_min   0.712
_exptl_absorpt_coefficient_mu    2.147
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.5956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0948 before and 0.0512 after correction.
 
For component 2:
 wR2(int) was 0.1521 before and 0.0671 after correction.
 The Ratio of minimum to maximum transmission is 0.77.

Final HKLF 4 output contains 114924 reflections, Rint = 0.0670
 (57769 with I > 3sig(I), Rint = 0.0551)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2044
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0642
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            32897
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.619
_diffrn_reflns_theta_min         1.464
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Incoatec HELIOS multilayer mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                28214
_reflns_number_total             32897
_reflns_special_details          
;
 _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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         6.376
_refine_diff_density_min         -2.401
_refine_diff_density_rms         0.198
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1212
_refine_ls_number_reflns         32897
_refine_ls_number_restraints     283
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0613
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0733P)²+23.2159P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1490
_refine_ls_wR_factor_ref         0.1558
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.7652(8)
 0.2348(8)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
3. Shared sites
{Eu2, Dy2}
{Eu1, Dy1}
4. Restrained distances
 O31-H3WA
 2.06 with sigma of 0.02
 H2WA-H3WA
 2.12 with sigma of 0.02
 H3WB-O12_$1
 2.1 with sigma of 0.04
 N7-O71N \\sim N7-O72N \\sim N7-O73N \\sim N7A-O71A \\sim N7A-O72A \\sim
N7A-O73A \\sim N8-O81N \\sim N8-
 O82N \\sim N8-O83N \\sim N8A-O81A \\sim N8A-O82A \\sim N8A-O83A
 with sigma of 0.01
 O71N-O72N \\sim O72N-O73N \\sim O73N-O71N \\sim O81N-O82N \\sim O82N-O83N
\\sim O83N-O81N
 with sigma of 0.01
5. Restrained planarity
 N7A, O71A, O72A, O73A
 with sigma of 0.03
6. Uiso/Uaniso restraints and constraints
N7 \\sim O71N \\sim O72N \\sim O73N \\sim N7A \\sim O71A \\sim O72A \\sim O73A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N8 \\sim O81N \\sim O82N \\sim O83N \\sim N8A \\sim O81A \\sim O82A \\sim O83A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N4 \\sim O41N \\sim O42N \\sim O43N: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 2A
Uanis(Eu2) = Uanis(Dy2)
Uanis(Eu1) = Uanis(Dy1)
7. Others
 Fixed Sof: Eu1(0.5) Eu2(0.5) N7(0.25) O71N(0.25) O72N(0.25) O73N(0.25)
 N7A(0.25) O71A(0.25) O72A(0.25) O73A(0.25) N8(0.25) O81N(0.25) O82N(0.25)
 O83N(0.25) N8A(0.25) O81A(0.25) O82A(0.25) O83A(0.25) Dy2(0.5) Dy1(0.5)
8.a Free rotating group:
 O11M(H11A,H11B), O13M(H13A,H13B), O14M(H14A,H14B), O21M(H21A,H21B), O24M(H24A,
 H24B), O25M(H25C,H25D), O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB),
 O4W(H4WA,H4WB), O5W(H5WA,H5WB), O6W(H6WA,H6WB)
8.b Rotating group:
 O12M(H12A,H12B), O15M(H15A,H15B), O22M(H22A,H22B), O23M(H23A,H23B)
8.c Ternary CH refined with riding coordinates:
 C13(H13), C14(H14), C23(H23), C24(H24), C33(H33), C34(H34), C43(H43),
 C44(H44), C53(H53), C54(H54), C63(H63), C64(H64)
8.d Secondary CH2 refined with riding coordinates:
 C15(H15C,H15D), C16(H16A,H16B), C25(H25A,H25B), C26(H26A,H26B), C35(H35A,
 H35B), C36(H36A,H36B), C45(H45A,H45B), C46(H46A,H46B), C55(H55A,H55B),
 C56(H56A,H56B), C65(H65A,H65B), C66(H66A,H66B)
;
_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 0.95324(2) 0.91749(2) 0.22440(2) 0.01536(8) Uani 0.5 1 d . . P A 3
O11M O 0.7881(4) 0.8408(4) 0.2433(3) 0.0269(11) Uani 1 1 d G . . . .
H11A H 0.7274 0.8553 0.2559 0.040 Uiso 1 1 d G U . A .
H11B H 0.7902 0.7783 0.2550 0.040 Uiso 1 1 d G U . A .
O12M O 0.9903(4) 0.7593(3) 0.2112(3) 0.0220(10) Uani 1 1 d . . . . .
H12A H 0.9362 0.7258 0.2204 0.033 Uiso 1 1 d R U . A .
H12B H 1.0068 0.7632 0.1636 0.033 Uiso 1 1 d R U . . .
O13M O 1.0878(4) 0.9250(5) 0.1301(3) 0.0311(13) Uani 1 1 d G . . . .
H13A H 1.0912 0.8929 0.0962 0.047 Uiso 1 1 d G U . A .
H13B H 1.1491 0.9404 0.1337 0.047 Uiso 1 1 d G U . A .
O14M O 1.0066(4) 1.0830(4) 0.1881(3) 0.0239(11) Uani 1 1 d G . . . .
H14A H 1.0485 1.1076 0.2121 0.036 Uiso 1 1 d G U . A .
H14B H 1.0032 1.1241 0.1431 0.036 Uiso 1 1 d G U . A .
O15M O 0.8772(4) 0.9962(4) 0.3119(3) 0.0315(13) Uani 1 1 d . . . . .
H15A H 0.8639 1.0561 0.2880 0.047 Uiso 1 1 d R U . A .
H15B H 0.8191 0.9717 0.3272 0.047 Uiso 1 1 d R U . . .
N1 N 0.8195(5) 0.9743(4) 0.0966(3) 0.0218(12) Uani 1 1 d . . . . .
O11N O 0.8230(4) 1.0197(3) 0.1470(3) 0.0229(10) Uani 1 1 d . . . . .
O12N O 0.8878(4) 0.9117(4) 0.0978(3) 0.0256(11) Uani 1 1 d . . . . .
O13N O 0.7529(4) 0.9898(4) 0.0505(3) 0.0333(13) Uani 1 1 d . . . . .
O11 O 1.1057(3) 0.9146(3) 0.2866(3) 0.0186(9) Uani 1 1 d . . . . .
O12 O 1.2895(4) 0.8313(4) 0.5967(3) 0.0235(10) Uani 1 1 d . . . . .
C11 C 1.1716(5) 0.8846(5) 0.3317(4) 0.0149(12) Uani 1 1 d . . . . .
C12 C 1.2869(5) 0.8326(5) 0.5291(4) 0.0166(12) Uani 1 1 d . . . . .
C13 C 1.3176(5) 0.8790(5) 0.3964(4) 0.0170(12) Uani 1 1 d . . . . .
H13 H 1.3840 0.8783 0.3693 0.020 Uiso 1 1 calc R U . . .
C14 C 1.2712(5) 0.7781(5) 0.4205(4) 0.0165(12) Uani 1 1 d . . . . .
H14 H 1.3191 0.7276 0.4113 0.020 Uiso 1 1 calc R U . . .
N11 N 1.2444(4) 0.9391(4) 0.3465(3) 0.0162(11) Uani 1 1 d . . . . .
N12 N 1.1869(4) 0.7917(4) 0.3719(3) 0.0169(11) Uani 1 1 d . . . . .
N13 N 1.2471(4) 0.7632(4) 0.5020(3) 0.0166(11) Uani 1 1 d . . . . .
N14 N 1.3263(4) 0.9014(4) 0.4681(3) 0.0186(11) Uani 1 1 d . . . . .
C15 C 1.1213(5) 0.7149(5) 0.3704(3) 0.0155(12) Uani 1 1 d . . . . .
H15C H 1.0925 0.7293 0.3193 0.019 Uiso 1 1 calc R U . . .
H15D H 1.1612 0.6543 0.3784 0.019 Uiso 1 1 calc R U . . .
C16 C 1.2107(5) 0.6730(5) 0.5529(4) 0.0164(12) Uani 1 1 d . . . . .
H16A H 1.2382 0.6187 0.5346 0.020 Uiso 1 1 calc R U . . .
H16B H 1.2349 0.6650 0.6049 0.020 Uiso 1 1 calc R U . . .
O21 O 0.9278(4) 0.8043(4) 0.3533(3) 0.0208(10) Uani 1 1 d . . . . .
O22 O 1.0769(4) 0.6853(4) 0.6791(3) 0.0209(10) Uani 1 1 d . . . . .
C21 C 0.9513(5) 0.7470(5) 0.4141(4) 0.0157(12) Uani 1 1 d . . . . .
C22 C 1.0453(5) 0.6721(5) 0.6208(4) 0.0180(12) Uani 1 1 d . . . . .
C23 C 1.0462(5) 0.6360(5) 0.5036(4) 0.0166(12) Uani 1 1 d . . . . .
H23 H 1.0680 0.5696 0.5026 0.020 Uiso 1 1 calc R U . . .
C24 C 0.9366(5) 0.6392(5) 0.5357(4) 0.0160(12) Uani 1 1 d . . . . .
H24 H 0.9028 0.5769 0.5419 0.019 Uiso 1 1 calc R U . . .
N21 N 1.0415(4) 0.7010(4) 0.4273(3) 0.0167(11) Uani 1 1 d . . . . .
N22 N 0.8900(4) 0.7176(4) 0.4775(3) 0.0176(11) Uani 1 1 d . . . . .
N23 N 0.9497(4) 0.6577(4) 0.6084(3) 0.0163(10) Uani 1 1 d . . . . .
N24 N 1.1026(4) 0.6700(4) 0.5565(3) 0.0176(11) Uani 1 1 d . . . . .
C25 C 0.7819(5) 0.7364(5) 0.4743(4) 0.0178(13) Uani 1 1 d . . . . .
H25A H 0.7642 0.7633 0.4202 0.021 Uiso 1 1 calc R U . . .
H25B H 0.7475 0.6747 0.4944 0.021 Uiso 1 1 calc R U . . .
C26 C 0.8676(5) 0.6628(5) 0.6615(4) 0.0167(12) Uani 1 1 d . . . . .
H26A H 0.8934 0.6489 0.7137 0.020 Uiso 1 1 calc R U . . .
H26B H 0.8193 0.6127 0.6616 0.020 Uiso 1 1 calc R U . . .
O31 O 0.7163(4) 0.9333(4) 0.4145(3) 0.0239(11) Uani 1 1 d D . . . .
O32 O 0.8914(4) 0.8205(4) 0.7273(3) 0.0229(10) Uani 1 1 d . . . . .
C31 C 0.7113(5) 0.8926(5) 0.4841(4) 0.0190(13) Uani 1 1 d . . . . .
C32 C 0.8278(5) 0.8216(5) 0.6820(4) 0.0182(13) Uani 1 1 d . . . . .
C33 C 0.7264(5) 0.7716(5) 0.5995(4) 0.0163(12) Uani 1 1 d . . . . .
H33 H 0.6810 0.7157 0.6157 0.020 Uiso 1 1 calc R U . . .
C34 C 0.6781(5) 0.8646(5) 0.6151(4) 0.0175(12) Uani 1 1 d . . . . .
H34 H 0.6118 0.8521 0.6427 0.021 Uiso 1 1 calc R U . . .
N31 N 0.7462(4) 0.8015(4) 0.5169(3) 0.0176(11) Uani 1 1 d . . . . .
N32 N 0.6697(4) 0.9290(4) 0.5395(3) 0.0193(11) Uani 1 1 d . . . . .
N33 N 0.7522(4) 0.8915(4) 0.6619(3) 0.0181(11) Uani 1 1 d . . . . .
N34 N 0.8165(4) 0.7559(4) 0.6429(3) 0.0191(11) Uani 1 1 d . . . . .
C35 C 0.6157(5) 1.0215(5) 0.5243(4) 0.0194(13) Uani 1 1 d . . . . .
H35A H 0.5910 1.0381 0.4717 0.023 Uiso 1 1 calc R U . . .
H35B H 0.5569 1.0147 0.5600 0.023 Uiso 1 1 calc R U . . .
C36 C 0.7339(5) 0.9641(5) 0.7007(4) 0.0188(13) Uani 1 1 d . . . . .
H36A H 0.7752 0.9491 0.7464 0.023 Uiso 1 1 calc R U . . .
H36B H 0.6630 0.9624 0.7185 0.023 Uiso 1 1 calc R U . . .
Eu2 Eu 0.46491(2) 0.57397(2) 0.28392(2) 0.01523(8) Uani 0.5 1 d . . P B 1
O21M O 0.5953(4) 0.5669(5) 0.3727(3) 0.0299(12) Uani 1 1 d G . . . .
H21A H 0.5824 0.5993 0.4060 0.045 Uiso 1 1 d G U . B .
H21B H 0.6602 0.5631 0.3696 0.045 Uiso 1 1 d G U . B .
O22M O 0.4913(4) 0.7325(4) 0.2956(3) 0.0225(10) Uani 1 1 d . . . . .
H22A H 0.4940 0.7304 0.3439 0.034 Uiso 1 1 d R U . B .
H22B H 0.4393 0.7693 0.2798 0.034 Uiso 1 1 d R U . . .
O23M O 0.2983(4) 0.6569(4) 0.2717(3) 0.0214(10) Uani 1 1 d . . . . .
H23A H 0.2587 0.6278 0.2493 0.032 Uiso 1 1 d R U . B .
H23B H 0.3035 0.7145 0.2405 0.032 Uiso 1 1 d R U . . .
O24M O 0.3948(4) 0.5069(3) 0.1933(3) 0.0259(11) Uani 1 1 d G . . . .
H24A H 0.3921 0.4449 0.2008 0.039 Uiso 1 1 d G U . B .
H24B H 0.3584 0.5312 0.1539 0.039 Uiso 1 1 d G U . B .
O25M O 0.5183(4) 0.4073(4) 0.3188(3) 0.0271(11) Uani 1 1 d G . . . .
H25C H 0.5558 0.3777 0.2917 0.041 Uiso 1 1 d G U . B .
H25D H 0.5193 0.3693 0.3651 0.041 Uiso 1 1 d G U . B .
N2 N 0.3243(4) 0.5148(4) 0.4125(3) 0.0195(11) Uani 1 1 d . . . . .
O21N O 0.3283(4) 0.4729(3) 0.3606(3) 0.0204(10) Uani 1 1 d . . . . .
O22N O 0.3942(3) 0.5725(3) 0.4126(3) 0.0192(10) Uani 1 1 d . . . . .
O23N O 0.2551(4) 0.5032(4) 0.4609(3) 0.0284(12) Uani 1 1 d . . . . .
O41 O 0.4477(3) 0.6935(3) 0.1589(3) 0.0199(10) Uani 1 1 d . . . . .
O42 O 0.6105(4) 0.8142(4) -0.1718(3) 0.0262(11) Uani 1 1 d . . . . .
C41 C 0.4746(5) 0.7520(5) 0.0989(4) 0.0159(12) Uani 1 1 d . . . . .
C42 C 0.5779(5) 0.8233(5) -0.1104(4) 0.0184(13) Uani 1 1 d . . . . .
C43 C 0.4688(5) 0.8643(5) -0.0211(4) 0.0195(13) Uani 1 1 d . . . . .
H43 H 0.4394 0.9306 -0.0285 0.023 Uiso 1 1 calc R U . . .
C44 C 0.5764(5) 0.8569(5) 0.0076(4) 0.0188(13) Uani 1 1 d . . . . .
H44 H 0.5996 0.9204 0.0109 0.023 Uiso 1 1 calc R U . . .
N41 N 0.4151(4) 0.7937(4) 0.0404(3) 0.0186(11) Uani 1 1 d . . . . .
N42 N 0.5686(4) 0.7876(4) 0.0824(3) 0.0191(11) Uani 1 1 d . . . . .
N43 N 0.6331(4) 0.8239(4) -0.0495(3) 0.0188(11) Uani 1 1 d . . . . .
N44 N 0.4812(4) 0.8406(4) -0.0922(3) 0.0212(12) Uani 1 1 d . . . . .
C45 C 0.6472(5) 0.7634(5) 0.1362(4) 0.0175(12) Uani 1 1 d . . . . .
H45A H 0.6174 0.7497 0.1888 0.021 Uiso 1 1 calc R U . . .
H45B H 0.6905 0.8195 0.1282 0.021 Uiso 1 1 calc R U . . .
C46 C 0.7415(5) 0.8072(5) -0.0481(4) 0.0210(14) Uani 1 1 d . . . . .
H46A H 0.7720 0.8546 -0.0265 0.025 Uiso 1 1 calc R U . . .
H46B H 0.7686 0.8173 -0.1012 0.025 Uiso 1 1 calc R U . . .
O51 O 0.6151(3) 0.5650(3) 0.2153(3) 0.0199(10) Uani 1 1 d . . . . .
O52 O 0.8058(4) 0.6477(4) -0.1046(3) 0.0233(10) Uani 1 1 d . . . . .
C51 C 0.6852(5) 0.5894(5) 0.1671(4) 0.0156(12) Uani 1 1 d . . . . .
C52 C 0.8034(5) 0.6411(5) -0.0359(4) 0.0195(13) Uani 1 1 d . . . . .
C53 C 0.7939(5) 0.6861(5) 0.0776(4) 0.0177(13) Uani 1 1 d . . . . .
H53 H 0.8465 0.7283 0.0869 0.021 Uiso 1 1 calc R U . . .
C54 C 0.8295(5) 0.5795(5) 0.0953(4) 0.0184(13) Uani 1 1 d . . . . .
H54 H 0.8950 0.5686 0.1209 0.022 Uiso 1 1 calc R U . . .
N51 N 0.7078(4) 0.6813(4) 0.1296(3) 0.0177(11) Uani 1 1 d . . . . .
N52 N 0.7496(4) 0.5278(4) 0.1457(3) 0.0173(11) Uani 1 1 d . . . . .
N53 N 0.8377(4) 0.5641(4) 0.0197(3) 0.0200(12) Uani 1 1 d . . . . .
N54 N 0.7692(4) 0.7097(4) -0.0027(3) 0.0201(12) Uani 1 1 d . . . . .
C55 C 0.7577(5) 0.4271(5) 0.1899(4) 0.0206(13) Uani 1 1 d . . . . .
H55A H 0.8277 0.4121 0.2051 0.025 Uiso 1 1 calc R U . . .
H55B H 0.7154 0.4176 0.2373 0.025 Uiso 1 1 calc R U . . .
C56 C 0.8761(5) 0.4758(5) 0.0047(4) 0.0170(12) Uani 1 1 d . . . . .
H56A H 0.8973 0.4901 -0.0500 0.020 Uiso 1 1 calc R U . . .
H56B H 0.9362 0.4540 0.0351 0.020 Uiso 1 1 calc R U . . .
O61 O 0.5905(4) 0.2984(4) 0.2256(3) 0.0258(11) Uani 1 1 d . . . . .
O62 O 0.7634(3) 0.4097(4) -0.1012(3) 0.0191(10) Uani 1 1 d . . . . .
C61 C 0.6531(5) 0.2968(5) 0.1747(4) 0.0189(13) Uani 1 1 d . . . . .
C62 C 0.7646(5) 0.3669(5) -0.0329(4) 0.0162(12) Uani 1 1 d . . . . .
C63 C 0.7981(5) 0.3302(5) 0.0968(4) 0.0168(12) Uani 1 1 d . . . . .
H63 H 0.8647 0.3108 0.1197 0.020 Uiso 1 1 calc R U . . .
C64 C 0.7457(5) 0.2446(5) 0.0812(4) 0.0159(12) Uani 1 1 d . . . . .
H64 H 0.7897 0.1855 0.0917 0.019 Uiso 1 1 calc R U . . .
N61 N 0.7285(4) 0.3611(4) 0.1492(3) 0.0180(11) Uani 1 1 d . . . . .
N62 N 0.6598(4) 0.2322(4) 0.1329(3) 0.0193(11) Uani 1 1 d . . . . .
N63 N 0.7229(4) 0.2796(4) 0.0007(3) 0.0193(11) Uani 1 1 d . . . . .
N64 N 0.8071(4) 0.3984(4) 0.0219(3) 0.0169(11) Uani 1 1 d . . . . .
C65 C 0.5962(5) 0.1488(5) 0.1472(4) 0.0219(14) Uani 1 1 d . . . . .
H65A H 0.6385 0.0916 0.1465 0.026 Uiso 1 1 calc R U . . .
H65B H 0.5645 0.1372 0.1990 0.026 Uiso 1 1 calc R U . . .
C66 C 0.6917(5) 0.2181(5) -0.0433(4) 0.0182(13) Uani 1 1 d . . . . .
H66A H 0.7246 0.1541 -0.0241 0.022 Uiso 1 1 calc R U . . .
H66B H 0.7145 0.2450 -0.0973 0.022 Uiso 1 1 calc R U . . .
N3 N 1.0329(4) 0.7846(4) 0.0075(3) 0.0199(12) Uani 1 1 d . . . . .
O31N O 1.0736(4) 0.8631(4) 0.0005(3) 0.0299(12) Uani 1 1 d . . . . .
O32N O 1.0295(4) 0.7222(4) 0.0720(3) 0.0301(12) Uani 1 1 d . . . . .
O33N O 0.9977(4) 0.7671(4) -0.0489(3) 0.0311(12) Uani 1 1 d . . . . .
N4 N 0.8693(5) 0.5783(5) 0.3298(4) 0.0300(14) Uani 1 1 d . U . . .
O41N O 0.8091(5) 0.5469(6) 0.3821(4) 0.064(2) Uani 1 1 d . U . . .
O42N O 0.8437(5) 0.6340(4) 0.2680(3) 0.0398(15) Uani 1 1 d . U . . .
O43N O 0.9598(5) 0.5563(4) 0.3407(4) 0.0412(15) Uani 1 1 d . U . . .
N5 N 0.5305(4) 0.7235(4) 0.4920(3) 0.0202(12) Uani 1 1 d . . . . .
O51N O 0.5600(4) 0.6393(4) 0.4995(3) 0.0293(12) Uani 1 1 d . . . . .
O52N O 0.5292(4) 0.7831(4) 0.4264(3) 0.0295(12) Uani 1 1 d . . . . .
O53N O 0.5038(5) 0.7515(4) 0.5491(3) 0.0328(13) Uani 1 1 d . . . . .
N6 N 1.3636(5) 0.9243(4) 0.1618(3) 0.0216(12) Uani 1 1 d . . . . .
O61N O 1.3448(5) 0.8607(4) 0.2231(3) 0.0327(13) Uani 1 1 d . . . . .
O62N O 1.4526(4) 0.9472(4) 0.1425(4) 0.0404(15) Uani 1 1 d . . . . .
O63N O 1.2963(5) 0.9644(4) 0.1197(3) 0.0372(14) Uani 1 1 d . . . . .
N7 N 1.026(3) 1.021(3) 0.462(3) 0.090(6) Uani 0.25 1 d D U P C -1
O71N O 1.010(3) 0.958(3) 0.430(3) 0.086(7) Uani 0.25 1 d D U P C -1
O72N O 1.092(3) 1.009(4) 0.509(2) 0.082(7) Uani 0.25 1 d D U P C -1
O73N O 0.970(3) 1.094(3) 0.450(3) 0.096(9) Uani 0.25 1 d D U P C -1
N7A N 0.998(2) 0.966(2) 0.5326(19) 0.086(6) Uani 0.25 1 d D U P D -2
O71A O 0.940(3) 0.948(4) 0.488(3) 0.088(7) Uani 0.25 1 d D U P D -2
O72A O 0.971(3) 1.012(4) 0.579(3) 0.079(8) Uani 0.25 1 d D U P D -2
O73A O 1.084(3) 0.933(4) 0.526(3) 0.088(7) Uani 0.25 1 d D U P D -2
N8 N 0.535(3) 0.490(3) 0.030(2) 0.089(8) Uani 0.25 1 d D U P E -1
O81N O 0.521(3) 0.550(3) 0.067(2) 0.085(8) Uani 0.25 1 d D U P E -1
O82N O 0.478(4) 0.421(3) 0.042(2) 0.093(8) Uani 0.25 1 d D U P E -1
O83N O 0.594(3) 0.506(4) -0.026(2) 0.085(8) Uani 0.25 1 d D U P E -1
N8A N 0.501(3) 0.538(5) -0.031(3) 0.089(8) Uani 0.25 1 d D U P F -2
O81A O 0.587(3) 0.569(4) -0.043(2) 0.087(8) Uani 0.25 1 d D U P F -2
O82A O 0.448(3) 0.556(4) 0.021(2) 0.089(8) Uani 0.25 1 d D U P F -2
O83A O 0.468(3) 0.498(4) -0.076(2) 0.084(9) Uani 0.25 1 d D U P F -2
O1W O 0.8239(4) 1.1802(4) 0.2712(3) 0.0282(12) Uani 1 1 d G . . . .
H1WA H 0.7824 1.1835 0.3085 0.042 Uiso 1 1 d G U . . .
H1WB H 0.8772 1.2078 0.2794 0.042 Uiso 1 1 d G U . . .
O2W O 0.6061(6) 0.9210(5) 0.2549(5) 0.0529(19) Uani 1 1 d G . . . .
H2WA H 0.6170 0.9651 0.2775 0.079 Uiso 1 1 d DG U . . .
H2WB H 0.5532 0.9417 0.2287 0.079 Uiso 1 1 d G U . . .
O3W O 0.5712(6) 1.0713(7) 0.3317(4) 0.060(2) Uani 1 1 d G . . . .
H3WA H 0.5991 1.0279 0.3686 0.090 Uiso 1 1 d DG U . . .
H3WB H 0.5902 1.1257 0.3370 0.090 Uiso 1 1 d DG U . . .
O4W O 1.1386(4) 0.5667(4) 0.2442(3) 0.0304(12) Uani 1 1 d G . . . .
H4WA H 1.1437 0.5630 0.1973 0.046 Uiso 1 1 d G U . . .
H4WB H 1.0770 0.5852 0.2498 0.046 Uiso 1 1 d G U . . .
O5W O 0.6758(4) 0.6654(4) 0.7757(3) 0.0281(12) Uani 1 1 d G . . . .
H5WA H 0.6417 0.7093 0.7910 0.042 Uiso 1 1 d G U . . .
H5WB H 0.7218 0.6461 0.8092 0.042 Uiso 1 1 d G U . . .
O6W O 0.9942(5) 0.6057(5) 0.8332(3) 0.0415(16) Uani 1 1 d G . . . .
H6WA H 0.9626 0.6483 0.8516 0.062 Uiso 1 1 d G U . . .
H6WB H 1.0148 0.6377 0.7876 0.062 Uiso 1 1 d G U . . .
Dy2 Dy 0.46491(2) 0.57397(2) 0.28392(2) 0.01523(8) Uani 0.5 1 d . . P B 2
Dy1 Dy 0.95324(2) 0.91749(2) 0.22440(2) 0.01536(8) Uani 0.5 1 d . . P A 4


_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 O11M 2.482(5) . ?
Eu1 O12M 2.401(5) . ?
Eu1 H12A 2.8153 . ?
Eu1 H12B 2.8147 . ?
Eu1 O13M 2.419(5) . ?
Eu1 O14M 2.428(5) . ?
Eu1 O15M 2.379(5) . ?
Eu1 H15A 2.7928 . ?
Eu1 H15B 2.7884 . ?
Eu1 O11N 2.471(5) . ?
Eu1 O12N 2.527(5) . ?
Eu1 O11 2.376(5) . ?
Eu1 O21 2.479(5) . ?
O11M H11A 0.8708 . ?
O11M H11B 0.8697 . ?
O11M Dy1 2.482(5) . ?
O12M H12A 0.8720 . ?
O12M H12B 0.8718 . ?
O12M Dy1 2.401(5) . ?
O13M H13A 0.8701 . ?
O13M H13B 0.8694 . ?
O13M Dy1 2.419(5) . ?
O14M H14A 0.8700 . ?
O14M H14B 0.8705 . ?
O14M Dy1 2.428(5) . ?
O15M H15A 0.8711 . ?
O15M H15B 0.8698 . ?
O15M Dy1 2.379(5) . ?
N1 O11N 1.272(8) . ?
N1 O12N 1.263(8) . ?
N1 O13N 1.226(8) . ?
N1 Dy1 2.919(6) . ?
O11N Dy1 2.471(5) . ?
O12N Dy1 2.527(5) . ?
O11 C11 1.219(8) . ?
O11 Dy1 2.376(4) . ?
O12 C12 1.228(8) . ?
C11 N11 1.359(8) . ?
C11 N12 1.354(8) . ?
C12 N13 1.369(8) . ?
C12 N14 1.370(8) . ?
C13 H13 1.0000 . ?
C13 C14 1.549(9) . ?
C13 N11 1.459(8) . ?
C13 N14 1.440(8) . ?
C14 H14 1.0000 . ?
C14 N12 1.443(8) . ?
C14 N13 1.462(8) . ?
N11 C36 1.459(8) 2_776 ?
N12 C15 1.450(8) . ?
N13 C16 1.462(8) . ?
N14 C35 1.425(8) 2_776 ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C15 N21 1.435(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 N24 1.450(8) . ?
O21 C21 1.231(8) . ?
O21 Dy1 2.479(5) . ?
O22 C22 1.225(8) . ?
C21 N21 1.358(8) . ?
C21 N22 1.363(8) . ?
C22 N23 1.346(9) . ?
C22 N24 1.379(8) . ?
C23 H23 1.0000 . ?
C23 C24 1.562(9) . ?
C23 N21 1.447(8) . ?
C23 N24 1.449(8) . ?
C24 H24 1.0000 . ?
C24 N22 1.464(8) . ?
C24 N23 1.442(8) . ?
N22 C25 1.467(8) . ?
N23 C26 1.447(8) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 N31 1.434(9) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 N34 1.451(8) . ?
O31 C31 1.239(8) . ?
O32 C32 1.211(8) . ?
C31 N31 1.364(9) . ?
C31 N32 1.353(9) . ?
C32 N33 1.393(9) . ?
C32 N34 1.352(9) . ?
C33 H33 1.0000 . ?
C33 C34 1.563(9) . ?
C33 N31 1.461(8) . ?
C33 N34 1.450(8) . ?
C34 H34 1.0000 . ?
C34 N32 1.440(8) . ?
C34 N33 1.467(8) . ?
N32 C35 1.461(9) . ?
N33 C36 1.429(9) . ?
C35 N14 1.425(8) 2_776 ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 N11 1.459(8) 2_776 ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
Eu2 O21M 2.416(5) . ?
Eu2 O22M 2.404(5) . ?
Eu2 H22A 2.8200 . ?
Eu2 H22B 2.8182 . ?
Eu2 O23M 2.488(5) . ?
Eu2 O24M 2.376(5) . ?
Eu2 H24A 2.9282 . ?
Eu2 H24B 3.0356 . ?
Eu2 O25M 2.410(5) . ?
Eu2 O21N 2.507(5) . ?
Eu2 O22N 2.483(5) . ?
Eu2 O41 2.462(5) . ?
Eu2 O51 2.342(5) . ?
O21M H21A 0.8708 . ?
O21M H21B 0.8705 . ?
O21M Dy2 2.416(5) . ?
O22M H22A 0.8727 . ?
O22M H22B 0.8720 . ?
O22M Dy2 2.404(5) . ?
O23M H23A 0.8712 . ?
O23M H23B 0.8715 . ?
O23M Dy2 2.488(5) . ?
O24M H24A 0.8712 . ?
O24M H24B 0.8704 . ?
O24M Dy2 2.376(5) . ?
O25M H25C 0.8710 . ?
O25M H25D 0.8700 . ?
O25M Dy2 2.410(5) . ?
N2 O21N 1.254(7) . ?
N2 O22N 1.279(7) . ?
N2 O23N 1.234(7) . ?
N2 Dy2 2.895(6) . ?
O21N Dy2 2.507(5) . ?
O22N Dy2 2.483(5) . ?
O41 C41 1.230(8) . ?
O41 Dy2 2.462(5) . ?
O42 C42 1.222(8) . ?
C41 N41 1.350(8) . ?
C41 N42 1.369(8) . ?
C42 N43 1.361(9) . ?
C42 N44 1.357(9) . ?
C43 H43 1.0000 . ?
C43 C44 1.548(10) . ?
C43 N41 1.471(8) . ?
C43 N44 1.430(9) . ?
C44 H44 1.0000 . ?
C44 N42 1.452(8) . ?
C44 N43 1.437(9) . ?
N41 C66 1.446(8) 2_665 ?
N42 C45 1.439(8) . ?
N43 C46 1.467(9) . ?
N44 C65 1.450(9) 2_665 ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 N51 1.447(9) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 N54 1.469(9) . ?
O51 C51 1.249(8) . ?
O51 Dy2 2.342(5) . ?
O52 C52 1.228(8) . ?
C51 N51 1.354(8) . ?
C51 N52 1.343(8) . ?
C52 N53 1.362(9) . ?
C52 N54 1.357(9) . ?
C53 H53 1.0000 . ?
C53 C54 1.549(10) . ?
C53 N51 1.451(8) . ?
C53 N54 1.457(8) . ?
C54 H54 1.0000 . ?
C54 N52 1.464(8) . ?
C54 N53 1.455(8) . ?
N52 C55 1.459(9) . ?
N53 C56 1.452(9) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 N61 1.437(9) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 N64 1.439(8) . ?
O61 C61 1.228(8) . ?
O62 C62 1.225(8) . ?
C61 N61 1.376(8) . ?
C61 N62 1.359(9) . ?
C62 N63 1.369(8) . ?
C62 N64 1.360(8) . ?
C63 H63 1.0000 . ?
C63 C64 1.546(9) . ?
C63 N61 1.453(8) . ?
C63 N64 1.448(8) . ?
C64 H64 1.0000 . ?
C64 N62 1.439(8) . ?
C64 N63 1.455(8) . ?
N62 C65 1.460(9) . ?
N63 C66 1.437(8) . ?
C65 N44 1.450(9) 2_665 ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 N41 1.446(8) 2_665 ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
N3 O31N 1.252(8) . ?
N3 O32N 1.268(7) . ?
N3 O33N 1.239(8) . ?
N4 O41N 1.218(9) . ?
N4 O42N 1.243(8) . ?
N4 O43N 1.255(9) . ?
N5 O51N 1.241(8) . ?
N5 O52N 1.264(7) . ?
N5 O53N 1.251(8) . ?
N6 O61N 1.256(8) . ?
N6 O62N 1.259(8) . ?
N6 O63N 1.233(8) . ?
N7 O71N 1.243(13) . ?
N7 O72N 1.236(13) . ?
N7 O73N 1.239(13) . ?
N7A O71A 1.237(14) . ?
N7A O72A 1.244(13) . ?
N7A O73A 1.239(14) . ?
N8 O81N 1.242(13) . ?
N8 O82N 1.242(13) . ?
N8 O83N 1.237(13) . ?
N8A O81A 1.240(14) . ?
N8A O82A 1.238(14) . ?
N8A O83A 1.242(14) . ?
O1W H1WA 0.8703 . ?
O1W H1WB 0.8696 . ?
O2W H2WA 0.8701 . ?
O2W H2WB 0.8706 . ?
O3W H3WA 0.8702 . ?
O3W H3WB 0.8697 . ?
O4W H4WA 0.8700 . ?
O4W H4WB 0.8703 . ?
O5W H5WA 0.8697 . ?
O5W H5WB 0.8702 . ?
O6W H6WA 0.8697 . ?
O6W H6WB 0.8699 . ?

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
O11M Eu1 H12A 59.4 . . ?
O11M Eu1 H12B 82.5 . . ?
O11M Eu1 H15A 86.6 . . ?
O11M Eu1 H15B 63.8 . . ?
O11M Eu1 O12N 69.40(18) . . ?
O12M Eu1 O11M 76.31(18) . . ?
O12M Eu1 H12A 17.0 . . ?
O12M Eu1 H12B 17.0 . . ?
O12M Eu1 O13M 70.49(19) . . ?
O12M Eu1 O14M 144.63(18) . . ?
O12M Eu1 H15A 156.9 . . ?
O12M Eu1 H15B 128.4 . . ?
O12M Eu1 O11N 119.97(17) . . ?
O12M Eu1 O12N 72.63(17) . . ?
O12M Eu1 O21 73.49(16) . . ?
H12A Eu1 H12B 28.3 . . ?
H12A Eu1 H15A 142.3 . . ?
H12A Eu1 H15B 114.1 . . ?
H12B Eu1 H15A 169.1 . . ?
H12B Eu1 H15B 142.3 . . ?
O13M Eu1 O11M 132.52(18) . . ?
O13M Eu1 H12A 85.3 . . ?
O13M Eu1 H12B 57.1 . . ?
O13M Eu1 O14M 74.4(2) . . ?
O13M Eu1 H15A 132.3 . . ?
O13M Eu1 H15B 160.6 . . ?
O13M Eu1 O11N 101.73(19) . . ?
O13M Eu1 O12N 68.88(18) . . ?
O13M Eu1 O21 130.12(19) . . ?
O14M Eu1 O11M 134.01(18) . . ?
O14M Eu1 H12A 159.4 . . ?
O14M Eu1 H12B 131.1 . . ?
O14M Eu1 H15A 57.8 . . ?
O14M Eu1 H15B 86.3 . . ?
O14M Eu1 O11N 71.43(17) . . ?
O14M Eu1 O12N 98.93(17) . . ?
O14M Eu1 O21 129.72(17) . . ?
O15M Eu1 O11M 80.9(2) . . ?
O15M Eu1 O12M 141.02(17) . . ?
O15M Eu1 H12A 129.0 . . ?
O15M Eu1 H12B 157.2 . . ?
O15M Eu1 O13M 144.26(19) . . ?
O15M Eu1 O14M 71.60(18) . . ?
O15M Eu1 H15A 17.1 . . ?
O15M Eu1 H15B 17.1 . . ?
O15M Eu1 O11N 77.73(19) . . ?
O15M Eu1 O12N 127.13(19) . . ?
O15M Eu1 O21 68.59(17) . . ?
H15A Eu1 H15B 28.6 . . ?
O11N Eu1 O11M 67.11(17) . . ?
O11N Eu1 H12A 109.9 . . ?
O11N Eu1 H12B 109.9 . . ?
O11N Eu1 H15A 65.0 . . ?
O11N Eu1 H15B 73.5 . . ?
O11N Eu1 O12N 50.90(17) . . ?
O11N Eu1 O21 126.08(16) . . ?
O12N Eu1 H12A 69.5 . . ?
O12N Eu1 H12B 59.6 . . ?
O12N Eu1 H15A 115.9 . . ?
O12N Eu1 H15B 117.5 . . ?
O11 Eu1 O11M 141.43(16) . . ?
O11 Eu1 O12M 90.43(17) . . ?
O11 Eu1 H12A 103.2 . . ?
O11 Eu1 H12B 95.2 . . ?
O11 Eu1 O13M 72.36(18) . . ?
O11 Eu1 O14M 74.63(17) . . ?
O11 Eu1 O15M 88.11(19) . . ?
O11 Eu1 H15A 93.6 . . ?
O11 Eu1 H15B 100.7 . . ?
O11 Eu1 O11N 145.84(16) . . ?
O11 Eu1 O12N 140.96(17) . . ?
O11 Eu1 O21 74.61(16) . . ?
O21 Eu1 O11M 66.94(17) . . ?
O21 Eu1 H12A 67.2 . . ?
O21 Eu1 H12B 90.5 . . ?
O21 Eu1 H15A 85.7 . . ?
O21 Eu1 H15B 61.8 . . ?
O21 Eu1 O12N 129.48(17) . . ?
Eu1 O11M H11A 137.1 . . ?
Eu1 O11M H11B 115.0 . . ?
H11A O11M H11B 104.5 . . ?
Dy1 O11M H11A 137.1 . . ?
Dy1 O11M H11B 115.0 . . ?
Eu1 O12M H12A 109.5 . . ?
Eu1 O12M H12B 109.5 . . ?
H12A O12M H12B 104.5 . . ?
Dy1 O12M H12A 109.5 . . ?
Dy1 O12M H12B 109.5 . . ?
Eu1 O13M H13A 125.2 . . ?
Eu1 O13M H13B 126.6 . . ?
H13A O13M H13B 104.5 . . ?
Dy1 O13M H13A 125.2 . . ?
Dy1 O13M H13B 126.6 . . ?
Eu1 O14M H14A 126.2 . . ?
Eu1 O14M H14B 126.9 . . ?
H14A O14M H14B 104.5 . . ?
Dy1 O14M H14A 126.2 . . ?
Dy1 O14M H14B 126.9 . . ?
Eu1 O15M H15A 109.5 . . ?
Eu1 O15M H15B 109.2 . . ?
H15A O15M H15B 104.5 . . ?
Dy1 O15M H15A 109.5 . . ?
Dy1 O15M H15B 109.2 . . ?
O11N N1 Eu1 57.1(3) . . ?
O11N N1 Dy1 57.1(3) . . ?
O12N N1 Eu1 59.6(3) . . ?
O12N N1 O11N 115.9(5) . . ?
O12N N1 Dy1 59.6(3) . . ?
O13N N1 Eu1 170.3(5) . . ?
O13N N1 O11N 121.8(6) . . ?
O13N N1 O12N 122.3(7) . . ?
O13N N1 Dy1 170.3(5) . . ?
N1 O11N Eu1 97.2(4) . . ?
N1 O11N Dy1 97.2(4) . . ?
N1 O12N Eu1 94.8(4) . . ?
N1 O12N Dy1 94.8(4) . . ?
C11 O11 Eu1 158.8(4) . . ?
C11 O11 Dy1 158.8(4) . . ?
O11 C11 N11 124.9(6) . . ?
O11 C11 N12 125.6(6) . . ?
N12 C11 N11 109.5(6) . . ?
O12 C12 N13 125.6(6) . . ?
O12 C12 N14 126.1(6) . . ?
N13 C12 N14 108.2(6) . . ?
C14 C13 H13 111.7 . . ?
N11 C13 H13 111.7 . . ?
N11 C13 C14 104.0(5) . . ?
N14 C13 H13 111.7 . . ?
N14 C13 C14 103.3(5) . . ?
N14 C13 N11 114.0(5) . . ?
C13 C14 H14 111.8 . . ?
N12 C14 C13 102.1(5) . . ?
N12 C14 H14 111.8 . . ?
N12 C14 N13 115.6(5) . . ?
N13 C14 C13 103.1(5) . . ?
N13 C14 H14 111.8 . . ?
C11 N11 C13 110.7(5) . . ?
C11 N11 C36 123.7(5) . 2_776 ?
C36 N11 C13 122.3(5) 2_776 . ?
C11 N12 C14 113.0(5) . . ?
C11 N12 C15 123.6(5) . . ?
C14 N12 C15 123.3(5) . . ?
C12 N13 C14 111.6(5) . . ?
C12 N13 C16 122.3(5) . . ?
C14 N13 C16 123.9(5) . . ?
C12 N14 C13 112.9(5) . . ?
C12 N14 C35 123.5(6) . 2_776 ?
C35 N14 C13 122.8(5) 2_776 . ?
N12 C15 H15C 108.9 . . ?
N12 C15 H15D 108.9 . . ?
H15C C15 H15D 107.7 . . ?
N21 C15 N12 113.5(5) . . ?
N21 C15 H15C 108.9 . . ?
N21 C15 H15D 108.9 . . ?
N13 C16 H16A 109.2 . . ?
N13 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
N24 C16 N13 112.2(5) . . ?
N24 C16 H16A 109.2 . . ?
N24 C16 H16B 109.2 . . ?
C21 O21 Eu1 157.2(4) . . ?
C21 O21 Dy1 157.2(4) . . ?
O21 C21 N21 125.1(6) . . ?
O21 C21 N22 125.3(6) . . ?
N21 C21 N22 109.6(5) . . ?
O22 C22 N23 126.2(6) . . ?
O22 C22 N24 125.2(6) . . ?
N23 C22 N24 108.6(6) . . ?
C24 C23 H23 111.8 . . ?
N21 C23 H23 111.8 . . ?
N21 C23 C24 102.8(5) . . ?
N21 C23 N24 115.0(5) . . ?
N24 C23 H23 111.8 . . ?
N24 C23 C24 102.9(5) . . ?
C23 C24 H24 111.6 . . ?
N22 C24 C23 103.0(5) . . ?
N22 C24 H24 111.6 . . ?
N23 C24 C23 102.6(5) . . ?
N23 C24 H24 111.6 . . ?
N23 C24 N22 115.6(5) . . ?
C15 N21 C23 124.7(5) . . ?
C21 N21 C15 122.8(5) . . ?
C21 N21 C23 112.5(5) . . ?
C21 N22 C24 111.2(5) . . ?
C21 N22 C25 121.6(5) . . ?
C24 N22 C25 123.4(5) . . ?
C22 N23 C24 113.3(5) . . ?
C22 N23 C26 123.6(6) . . ?
C24 N23 C26 123.1(5) . . ?
C22 N24 C16 123.4(6) . . ?
C22 N24 C23 111.2(5) . . ?
C23 N24 C16 123.0(6) . . ?
N22 C25 H25A 108.8 . . ?
N22 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
N31 C25 N22 113.8(5) . . ?
N31 C25 H25A 108.8 . . ?
N31 C25 H25B 108.8 . . ?
N23 C26 H26A 109.0 . . ?
N23 C26 H26B 109.0 . . ?
N23 C26 N34 112.8(5) . . ?
H26A C26 H26B 107.8 . . ?
N34 C26 H26A 109.0 . . ?
N34 C26 H26B 109.0 . . ?
O31 C31 N31 124.5(7) . . ?
O31 C31 N32 126.7(6) . . ?
N32 C31 N31 108.8(6) . . ?
O32 C32 N33 125.1(7) . . ?
O32 C32 N34 126.7(7) . . ?
N34 C32 N33 108.2(5) . . ?
C34 C33 H33 112.3 . . ?
N31 C33 H33 112.3 . . ?
N31 C33 C34 102.5(5) . . ?
N34 C33 H33 112.3 . . ?
N34 C33 C34 103.5(5) . . ?
N34 C33 N31 113.1(5) . . ?
C33 C34 H34 111.9 . . ?
N32 C34 C33 103.1(5) . . ?
N32 C34 H34 111.9 . . ?
N32 C34 N33 114.7(5) . . ?
N33 C34 C33 102.6(5) . . ?
N33 C34 H34 111.9 . . ?
C25 N31 C33 123.1(5) . . ?
C31 N31 C25 123.9(6) . . ?
C31 N31 C33 112.1(6) . . ?
C31 N32 C34 113.1(6) . . ?
C31 N32 C35 123.8(6) . . ?
C34 N32 C35 122.9(6) . . ?
C32 N33 C34 111.7(5) . . ?
C32 N33 C36 122.5(6) . . ?
C36 N33 C34 123.2(6) . . ?
C32 N34 C26 123.2(6) . . ?
C32 N34 C33 113.3(6) . . ?
C33 N34 C26 120.4(5) . . ?
N14 C35 N32 114.2(5) 2_776 . ?
N14 C35 H35A 108.7 2_776 . ?
N14 C35 H35B 108.7 2_776 . ?
N32 C35 H35A 108.7 . . ?
N32 C35 H35B 108.7 . . ?
H35A C35 H35B 107.6 . . ?
N11 C36 H36A 108.8 2_776 . ?
N11 C36 H36B 108.8 2_776 . ?
N33 C36 N11 113.6(5) . 2_776 ?
N33 C36 H36A 108.8 . . ?
N33 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
O21M Eu2 H22A 59.5 . . ?
O21M Eu2 H22B 86.5 . . ?
O21M Eu2 O23M 131.00(18) . . ?
O21M Eu2 H24A 135.8 . . ?
O21M Eu2 H24B 158.0 . . ?
O21M Eu2 O21N 105.39(18) . . ?
O21M Eu2 O22N 68.77(17) . . ?
O21M Eu2 O41 126.11(18) . . ?
O22M Eu2 O21M 70.46(19) . . ?
O22M Eu2 H22A 16.9 . . ?
O22M Eu2 H22B 17.0 . . ?
O22M Eu2 O23M 73.97(17) . . ?
O22M Eu2 H24A 151.3 . . ?
O22M Eu2 H24B 124.7 . . ?
O22M Eu2 O25M 146.76(19) . . ?
O22M Eu2 O21N 120.66(16) . . ?
O22M Eu2 O22N 74.89(16) . . ?
O22M Eu2 O41 70.03(16) . . ?
H22A Eu2 H22B 28.3 . . ?
H22A Eu2 H24A 164.8 . . ?
H22A Eu2 H24B 139.0 . . ?
H22B Eu2 H24A 137.0 . . ?
H22B Eu2 H24B 110.7 . . ?
O23M Eu2 H22A 77.2 . . ?
O23M Eu2 H22B 57.7 . . ?
O23M Eu2 H24A 88.8 . . ?
O23M Eu2 H24B 70.9 . . ?
O23M Eu2 O21N 66.33(16) . . ?
O24M Eu2 O21M 147.84(19) . . ?
O24M Eu2 O22M 136.62(17) . . ?
O24M Eu2 H22A 151.1 . . ?
O24M Eu2 H22B 122.9 . . ?
O24M Eu2 O23M 80.02(18) . . ?
O24M Eu2 H24A 14.7 . . ?
O24M Eu2 H24B 12.1 . . ?
O24M Eu2 O25M 74.43(19) . . ?
O24M Eu2 O21N 77.13(18) . . ?
O24M Eu2 O22N 127.22(18) . . ?
O24M Eu2 O41 68.18(16) . . ?
H24A Eu2 H24B 26.6 . . ?
O25M Eu2 O21M 76.4(2) . . ?
O25M Eu2 H22A 134.4 . . ?
O25M Eu2 H22B 162.7 . . ?
O25M Eu2 O23M 133.48(18) . . ?
O25M Eu2 H24A 60.3 . . ?
O25M Eu2 H24B 86.6 . . ?
O25M Eu2 O21N 70.42(17) . . ?
O25M Eu2 O22N 95.61(17) . . ?
O25M Eu2 O41 132.02(17) . . ?
O21N Eu2 H22A 109.0 . . ?
O21N Eu2 H22B 112.2 . . ?
O21N Eu2 H24A 69.8 . . ?
O21N Eu2 H24B 81.2 . . ?
O22N Eu2 H22A 59.8 . . ?
O22N Eu2 H22B 75.1 . . ?
O22N Eu2 O23M 70.21(16) . . ?
O22N Eu2 H24A 121.1 . . ?
O22N Eu2 H24B 127.5 . . ?
O22N Eu2 O21N 51.40(15) . . ?
O41 Eu2 H22A 86.8 . . ?
O41 Eu2 H22B 61.5 . . ?
O41 Eu2 O23M 67.78(16) . . ?
O41 Eu2 H24A 82.3 . . ?
O41 Eu2 H24B 57.8 . . ?
O41 Eu2 O21N 125.93(16) . . ?
O41 Eu2 O22N 130.86(16) . . ?
O51 Eu2 O21M 74.31(18) . . ?
O51 Eu2 O22M 94.99(17) . . ?
O51 Eu2 H22A 102.7 . . ?
O51 Eu2 H22B 105.2 . . ?
O51 Eu2 O23M 141.95(16) . . ?
O51 Eu2 O24M 84.59(19) . . ?
O51 Eu2 H24A 84.5 . . ?
O51 Eu2 H24B 87.7 . . ?
O51 Eu2 O25M 73.35(17) . . ?
O51 Eu2 O21N 142.58(16) . . ?
O51 Eu2 O22N 143.02(16) . . ?
O51 Eu2 O41 74.21(16) . . ?
Eu2 O21M H21A 114.9 . . ?
Eu2 O21M H21B 134.1 . . ?
H21A O21M H21B 104.4 . . ?
Dy2 O21M H21A 114.9 . . ?
Dy2 O21M H21B 134.1 . . ?
Eu2 O22M H22A 109.6 . . ?
Eu2 O22M H22B 109.5 . . ?
H22A O22M H22B 104.4 . . ?
Dy2 O22M H22A 109.6 . . ?
Dy2 O22M H22B 109.5 . . ?
Eu2 O23M H23A 109.5 . . ?
Eu2 O23M H23B 109.5 . . ?
H23A O23M H23B 104.4 . . ?
Dy2 O23M H23A 109.5 . . ?
Dy2 O23M H23B 109.5 . . ?
Eu2 O24M H24A 121.6 . . ?
Eu2 O24M H24B 132.9 . . ?
H24A O24M H24B 104.5 . . ?
Dy2 O24M H24A 121.6 . . ?
Dy2 O24M H24B 132.9 . . ?
Eu2 O25M H25C 127.5 . . ?
Eu2 O25M H25D 125.7 . . ?
H25C O25M H25D 104.5 . . ?
Dy2 O25M H25C 127.5 . . ?
Dy2 O25M H25D 125.7 . . ?
O21N N2 Eu2 59.7(3) . . ?
O21N N2 O22N 117.4(5) . . ?
O21N N2 Dy2 59.7(3) . . ?
O22N N2 Eu2 58.7(3) . . ?
O22N N2 Dy2 58.7(3) . . ?
O23N N2 Eu2 169.1(5) . . ?
O23N N2 O21N 122.1(6) . . ?
O23N N2 O22N 120.5(6) . . ?
O23N N2 Dy2 169.1(5) . . ?
N2 O21N Eu2 94.8(3) . . ?
N2 O21N Dy2 94.8(3) . . ?
N2 O22N Eu2 95.2(4) . . ?
N2 O22N Dy2 95.2(4) . . ?
C41 O41 Eu2 157.5(5) . . ?
C41 O41 Dy2 157.5(5) . . ?
O41 C41 N41 125.2(6) . . ?
O41 C41 N42 125.3(6) . . ?
N41 C41 N42 109.4(5) . . ?
O42 C42 N43 126.0(7) . . ?
O42 C42 N44 126.2(7) . . ?
N44 C42 N43 107.7(6) . . ?
C44 C43 H43 111.4 . . ?
N41 C43 H43 111.4 . . ?
N41 C43 C44 103.3(5) . . ?
N44 C43 H43 111.4 . . ?
N44 C43 C44 103.3(5) . . ?
N44 C43 N41 115.5(5) . . ?
C43 C44 H44 111.7 . . ?
N42 C44 C43 103.3(5) . . ?
N42 C44 H44 111.7 . . ?
N43 C44 C43 102.8(5) . . ?
N43 C44 H44 111.7 . . ?
N43 C44 N42 115.1(6) . . ?
C41 N41 C43 111.8(5) . . ?
C41 N41 C66 123.8(6) . 2_665 ?
C66 N41 C43 123.8(6) 2_665 . ?
C41 N42 C44 112.2(6) . . ?
C41 N42 C45 122.9(6) . . ?
C45 N42 C44 124.8(5) . . ?
C42 N43 C44 112.6(6) . . ?
C42 N43 C46 123.3(6) . . ?
C44 N43 C46 123.5(6) . . ?
C42 N44 C43 113.0(6) . . ?
C42 N44 C65 121.4(6) . 2_665 ?
C43 N44 C65 124.6(6) . 2_665 ?
N42 C45 H45A 109.0 . . ?
N42 C45 H45B 109.0 . . ?
N42 C45 N51 113.1(5) . . ?
H45A C45 H45B 107.8 . . ?
N51 C45 H45A 109.0 . . ?
N51 C45 H45B 109.0 . . ?
N43 C46 H46A 109.2 . . ?
N43 C46 H46B 109.2 . . ?
N43 C46 N54 112.2(5) . . ?
H46A C46 H46B 107.9 . . ?
N54 C46 H46A 109.2 . . ?
N54 C46 H46B 109.2 . . ?
C51 O51 Eu2 159.9(5) . . ?
C51 O51 Dy2 159.9(5) . . ?
O51 C51 N51 125.1(6) . . ?
O51 C51 N52 124.5(6) . . ?
N52 C51 N51 110.4(5) . . ?
O52 C52 N53 125.4(7) . . ?
O52 C52 N54 126.0(7) . . ?
N54 C52 N53 108.6(6) . . ?
C54 C53 H53 112.2 . . ?
N51 C53 H53 112.2 . . ?
N51 C53 C54 102.4(5) . . ?
N51 C53 N54 113.9(5) . . ?
N54 C53 H53 112.2 . . ?
N54 C53 C54 103.1(5) . . ?
C53 C54 H54 111.6 . . ?
N52 C54 C53 103.6(5) . . ?
N52 C54 H54 111.6 . . ?
N53 C54 C53 102.5(5) . . ?
N53 C54 H54 111.6 . . ?
N53 C54 N52 115.3(5) . . ?
C45 N51 C53 124.6(5) . . ?
C51 N51 C45 123.2(5) . . ?
C51 N51 C53 112.0(5) . . ?
C51 N52 C54 110.7(5) . . ?
C51 N52 C55 121.4(5) . . ?
C55 N52 C54 124.0(6) . . ?
C52 N53 C54 112.6(6) . . ?
C52 N53 C56 123.4(6) . . ?
C56 N53 C54 124.0(6) . . ?
C52 N54 C46 121.9(6) . . ?
C52 N54 C53 111.8(6) . . ?
C53 N54 C46 123.4(6) . . ?
N52 C55 H55A 108.8 . . ?
N52 C55 H55B 108.8 . . ?
H55A C55 H55B 107.7 . . ?
N61 C55 N52 113.6(5) . . ?
N61 C55 H55A 108.8 . . ?
N61 C55 H55B 108.8 . . ?
N53 C56 H56A 108.5 . . ?
N53 C56 H56B 108.5 . . ?
H56A C56 H56B 107.5 . . ?
N64 C56 N53 115.0(5) . . ?
N64 C56 H56A 108.5 . . ?
N64 C56 H56B 108.5 . . ?
O61 C61 N61 125.9(7) . . ?
O61 C61 N62 126.2(6) . . ?
N62 C61 N61 107.8(6) . . ?
O62 C62 N63 125.5(6) . . ?
O62 C62 N64 125.6(6) . . ?
N64 C62 N63 108.9(5) . . ?
C64 C63 H63 111.9 . . ?
N61 C63 H63 111.9 . . ?
N61 C63 C64 103.3(5) . . ?
N64 C63 H63 111.9 . . ?
N64 C63 C64 103.4(5) . . ?
N64 C63 N61 113.8(5) . . ?
C63 C64 H64 111.8 . . ?
N62 C64 C63 103.0(5) . . ?
N62 C64 H64 111.8 . . ?
N62 C64 N63 114.5(5) . . ?
N63 C64 C63 103.3(5) . . ?
N63 C64 H64 111.8 . . ?
C55 N61 C63 120.9(6) . . ?
C61 N61 C55 123.3(6) . . ?
C61 N61 C63 111.6(5) . . ?
C61 N62 C64 113.3(5) . . ?
C61 N62 C65 123.6(6) . . ?
C64 N62 C65 122.4(6) . . ?
C62 N63 C64 111.6(5) . . ?
C62 N63 C66 122.1(6) . . ?
C66 N63 C64 123.0(6) . . ?
C56 N64 C63 122.3(5) . . ?
C62 N64 C56 123.2(5) . . ?
C62 N64 C63 112.4(5) . . ?
N44 C65 N62 113.7(5) 2_665 . ?
N44 C65 H65A 108.8 2_665 . ?
N44 C65 H65B 108.8 2_665 . ?
N62 C65 H65A 108.8 . . ?
N62 C65 H65B 108.8 . . ?
H65A C65 H65B 107.7 . . ?
N41 C66 H66A 108.8 2_665 . ?
N41 C66 H66B 108.8 2_665 . ?
N63 C66 N41 113.6(5) . 2_665 ?
N63 C66 H66A 108.8 . . ?
N63 C66 H66B 108.8 . . ?
H66A C66 H66B 107.7 . . ?
O31N N3 O32N 119.7(6) . . ?
O33N N3 O31N 120.1(6) . . ?
O33N N3 O32N 120.1(6) . . ?
O41N N4 O42N 121.7(7) . . ?
O41N N4 O43N 118.2(7) . . ?
O42N N4 O43N 120.0(7) . . ?
O51N N5 O52N 120.4(6) . . ?
O51N N5 O53N 120.7(6) . . ?
O53N N5 O52N 118.9(6) . . ?
O61N N6 O62N 119.8(7) . . ?
O63N N6 O61N 121.0(6) . . ?
O63N N6 O62N 119.2(6) . . ?
O72N N7 O71N 119.9(10) . . ?
O72N N7 O73N 120.3(10) . . ?
O73N N7 O71N 119.7(10) . . ?
O71A N7A O72A 121(4) . . ?
O71A N7A O73A 113(4) . . ?
O73A N7A O72A 126(4) . . ?
O82N N8 O81N 119.3(11) . . ?
O83N N8 O81N 119.9(11) . . ?
O83N N8 O82N 119.9(11) . . ?
O81A N8A O83A 119(4) . . ?
O82A N8A O81A 119(4) . . ?
O82A N8A O83A 122(4) . . ?
H1WA O1W H1WB 104.5 . . ?
H2WA O2W H2WB 104.5 . . ?
H3WA O3W H3WB 104.5 . . ?
H4WA O4W H4WB 104.5 . . ?
H5WA O5W H5WB 104.5 . . ?
H6WA O6W H6WB 104.5 . . ?
O21M Dy2 O23M 131.00(18) . . ?
O21M Dy2 O21N 105.39(18) . . ?
O21M Dy2 O22N 68.77(17) . . ?
O21M Dy2 O41 126.11(18) . . ?
O22M Dy2 O21M 70.46(19) . . ?
O22M Dy2 O23M 73.97(17) . . ?
O22M Dy2 O25M 146.76(19) . . ?
O22M Dy2 O21N 120.66(16) . . ?
O22M Dy2 O22N 74.89(16) . . ?
O22M Dy2 O41 70.03(16) . . ?
O23M Dy2 O21N 66.33(16) . . ?
O24M Dy2 O21M 147.84(19) . . ?
O24M Dy2 O22M 136.62(17) . . ?
O24M Dy2 O23M 80.02(18) . . ?
O24M Dy2 O25M 74.43(19) . . ?
O24M Dy2 O21N 77.13(18) . . ?
O24M Dy2 O22N 127.22(18) . . ?
O24M Dy2 O41 68.18(16) . . ?
O25M Dy2 O21M 76.4(2) . . ?
O25M Dy2 O23M 133.48(18) . . ?
O25M Dy2 O21N 70.42(17) . . ?
O25M Dy2 O22N 95.61(17) . . ?
O25M Dy2 O41 132.02(17) . . ?
O22N Dy2 O23M 70.21(16) . . ?
O22N Dy2 O21N 51.40(15) . . ?
O41 Dy2 O23M 67.78(16) . . ?
O41 Dy2 O21N 125.93(16) . . ?
O41 Dy2 O22N 130.86(16) . . ?
O51 Dy2 O21M 74.31(18) . . ?
O51 Dy2 O22M 94.99(17) . . ?
O51 Dy2 O23M 141.95(16) . . ?
O51 Dy2 O24M 84.59(19) . . ?
O51 Dy2 O25M 73.35(17) . . ?
O51 Dy2 O21N 142.58(16) . . ?
O51 Dy2 O22N 143.02(16) . . ?
O51 Dy2 O41 74.21(16) . . ?
O11M Dy1 O12N 69.40(18) . . ?
O12M Dy1 O11M 76.31(18) . . ?
O12M Dy1 O13M 70.49(19) . . ?
O12M Dy1 O14M 144.63(18) . . ?
O12M Dy1 O11N 119.97(17) . . ?
O12M Dy1 O12N 72.63(17) . . ?
O12M Dy1 O21 73.49(16) . . ?
O13M Dy1 O11M 132.52(18) . . ?
O13M Dy1 O14M 74.4(2) . . ?
O13M Dy1 O11N 101.73(19) . . ?
O13M Dy1 O12N 68.88(18) . . ?
O13M Dy1 O21 130.12(19) . . ?
O14M Dy1 O11M 134.01(18) . . ?
O14M Dy1 O11N 71.43(17) . . ?
O14M Dy1 O12N 98.93(17) . . ?
O14M Dy1 O21 129.72(17) . . ?
O15M Dy1 O11M 80.9(2) . . ?
O15M Dy1 O12M 141.02(17) . . ?
O15M Dy1 O13M 144.26(19) . . ?
O15M Dy1 O14M 71.60(18) . . ?
O15M Dy1 O11N 77.73(19) . . ?
O15M Dy1 O12N 127.13(19) . . ?
O15M Dy1 O21 68.59(17) . . ?
O11N Dy1 O11M 67.11(17) . . ?
O11N Dy1 O12N 50.90(17) . . ?
O11N Dy1 O21 126.08(16) . . ?
O11 Dy1 O11M 141.43(16) . . ?
O11 Dy1 O12M 90.43(17) . . ?
O11 Dy1 O13M 72.36(18) . . ?
O11 Dy1 O14M 74.63(17) . . ?
O11 Dy1 O15M 88.11(19) . . ?
O11 Dy1 O11N 145.84(16) . . ?
O11 Dy1 O12N 140.96(17) . . ?
O11 Dy1 O21 74.61(16) . . ?
O21 Dy1 O11M 66.94(17) . . ?
O21 Dy1 O12N 129.48(17) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.7652(8)
2 0.2348(8)

_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_km789-3_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2336767'
loop_
_audit_author_name
_audit_author_address
'Taisiya Sukhikh'
;NIIC SB RAS
Russia
;
_audit_update_record             
;
2024-03-01 deposited with the CCDC.	2024-06-14 downloaded from the CCDC.
;
_audit_creation_date             2024-03-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C18 H28 Eu0.5 N13 O14 Sm0.5), 5(N O3), 6(H2 O)'
_chemical_formula_sum            'C36 H68 Eu N31 O49 Sm'
_chemical_formula_weight         2021.52
_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'
Sm Sm -0.1638 3.4418 '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                   13.4418(4)
_cell_length_b                   14.4661(4)
_cell_length_c                   18.2775(6)
_cell_angle_alpha                73.8147(10)
_cell_angle_beta                 87.3845(11)
_cell_angle_gamma                87.8140(9)
_cell_volume                     3408.45(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6420
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   0.738
_shelx_estimated_absorpt_T_min   0.531
_exptl_absorpt_coefficient_mu    1.904
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.4600
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1872 before and 0.0904 after correction.
 
For component 2:
 wR2(int) was 0.1466 before and 0.0462 after correction.
 The Ratio of minimum to maximum transmission is 0.60.

Final HKLF 4 output contains 100293 reflections, Rint = 0.0646
 (57290 with I > 3sig(I), Rint = 0.0567)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.970
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2036
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_unetI/netI     0.0713
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            35598
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.538
_diffrn_reflns_theta_min         1.466
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 PIXEL
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec IuS3.0 microfocus X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                30001
_reflns_number_total             35598
_reflns_special_details          
;
 _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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.486
_refine_diff_density_min         -1.740
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1210
_refine_ls_number_reflns         35598
_refine_ls_number_restraints     294
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0470
_refine_ls_restrained_S_all      1.062
_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)+(0.0656P)²+1.9635P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1221
_refine_ls_wR_factor_ref         0.1281
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.1935(6)
 0.8065(6)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
3. Shared sites
{Eu2, Sm2}
{Eu1, Sm1}
4. Restrained distances
 H3WA-H2WA
 2.12 with sigma of 0.02
 H3WB-O12_$1
 2.1 with sigma of 0.02
 N7-O71N \\sim N7-O72N \\sim N7-O73N \\sim N7A-O71A \\sim N7A-O72A \\sim
N7A-O73A \\sim N8-O81N \\sim N8-
 O82N \\sim N8-O83N \\sim N8A-O81A \\sim N8A-O82A \\sim N8A-O83A
 with sigma of 0.01
 O71N-O72N \\sim O72N-O73N \\sim O73N-O71N \\sim O81N-O82N \\sim O82N-O83N
\\sim O83N-O81N
 with sigma of 0.01
5. Restrained planarity
 N7A, O71A, O72A, O73A
 with sigma of 0.03
6. Uiso/Uaniso restraints and constraints
N7 \\sim O71N \\sim O72N \\sim O73N \\sim N7A \\sim O71A \\sim O72A \\sim O73A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N8 \\sim O81N \\sim O82N \\sim O83N \\sim N8A \\sim O81A \\sim O82A \\sim O83A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
N4 \\sim O41N \\sim O42N \\sim O43N: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 2A
Uanis(Eu2) = Uanis(Sm2)
Uanis(Eu1) = Uanis(Sm1)
7. Rigid body (RIGU) restrains
 N8A, O81A, O82A, O83A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
8. Others
 Fixed Sof: Eu1(0.5) Eu2(0.5) N7(0.25) O71N(0.25) O72N(0.25) O73N(0.25)
 N7A(0.25) O71A(0.25) O72A(0.25) O73A(0.25) N8(0.25) O81N(0.25) O82N(0.25)
 O83N(0.25) N8A(0.25) O81A(0.25) O82A(0.25) O83A(0.25) Sm2(0.5) Sm1(0.5)
9.a Free rotating group:
 O11M(H11A,H11B), O13M(H13A,H13B), O14M(H14A,H14B), O21M(H21A,H21B), O25M(H25C,
 H25D), O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB),
 O5W(H5WA,H5WB), O6W(H6WA,H6WB)
9.b Rotating group:
 O12M(H12A,H12B), O15M(H15A,H15B), O22M(H22A,H22B), O23M(H23A,H23B), O24M(H24A,
 H24B)
9.c Ternary CH refined with riding coordinates:
 C13(H13), C14(H14), C23(H23), C24(H24), C33(H33), C34(H34), C43(H43),
 C44(H44), C53(H53), C54(H54), C63(H63), C64(H64)
9.d Secondary CH2 refined with riding coordinates:
 C15(H15C,H15D), C16(H16A,H16B), C25(H25A,H25B), C26(H26A,H26B), C35(H35A,
 H35B), C36(H36A,H36B), C45(H45A,H45B), C46(H46A,H46B), C55(H55A,H55B),
 C56(H56A,H56B), C65(H65A,H65B), C66(H66A,H66B)
;
_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 0.95237(2) 0.91771(2) 0.22447(2) 0.01225(5) Uani 0.5 1 d . . P A 3
O11M O 0.7867(2) 0.8395(2) 0.24375(19) 0.0235(7) Uani 1 1 d G . . . .
H11A H 0.7296 0.8640 0.2548 0.035 Uiso 1 1 d G U . A .
H11B H 0.7844 0.7790 0.2688 0.035 Uiso 1 1 d G U . A .
O12M O 0.9902(2) 0.7583(2) 0.21110(17) 0.0195(6) Uani 1 1 d . . . . .
H12A H 0.9369 0.7236 0.2226 0.029 Uiso 1 1 d R U . A .
H12B H 1.0038 0.7618 0.1631 0.029 Uiso 1 1 d R U . . .
O13M O 1.0877(2) 0.9260(3) 0.12914(19) 0.0259(7) Uani 1 1 d G . . . .
H13A H 1.0824 0.9043 0.0895 0.039 Uiso 1 1 d G U . A .
H13B H 1.1511 0.9363 0.1301 0.039 Uiso 1 1 d G U . A .
O14M O 1.0061(3) 1.0845(2) 0.18831(18) 0.0219(7) Uani 1 1 d G . . . .
H14A H 1.0476 1.1069 0.2141 0.033 Uiso 1 1 d G U . A .
H14B H 1.0030 1.1282 0.1446 0.033 Uiso 1 1 d G U . A .
O15M O 0.8734(3) 0.9972(2) 0.3123(2) 0.0314(9) Uani 1 1 d . . . . .
H15A H 0.8677 1.0587 0.2902 0.047 Uiso 1 1 d R U . A .
H15B H 0.8120 0.9785 0.3227 0.047 Uiso 1 1 d R U . . .
N1 N 0.8187(3) 0.9742(3) 0.0963(2) 0.0186(7) Uani 1 1 d . . . . .
O11N O 0.8214(2) 1.0202(2) 0.14616(18) 0.0201(6) Uani 1 1 d . . . . .
O12N O 0.8862(3) 0.9108(2) 0.09760(18) 0.0232(7) Uani 1 1 d . . . . .
O13N O 0.7522(3) 0.9903(2) 0.0500(2) 0.0308(8) Uani 1 1 d . . . . .
O11 O 1.1049(2) 0.9157(2) 0.28628(17) 0.0161(6) Uani 1 1 d . . . . .
O12 O 1.2896(2) 0.8311(2) 0.59577(17) 0.0211(7) Uani 1 1 d . . . . .
C11 C 1.1722(3) 0.8845(3) 0.3316(2) 0.0130(7) Uani 1 1 d . . . . .
C12 C 1.2871(3) 0.8321(3) 0.5287(2) 0.0150(8) Uani 1 1 d . . . . .
C13 C 1.3179(3) 0.8783(3) 0.3968(2) 0.0138(8) Uani 1 1 d . . . . .
H13 H 1.3842 0.8773 0.3698 0.017 Uiso 1 1 calc R U . . .
C14 C 1.2710(3) 0.7775(3) 0.4205(2) 0.0134(7) Uani 1 1 d . . . . .
H14 H 1.3186 0.7267 0.4115 0.016 Uiso 1 1 calc R U . . .
N11 N 1.2449(3) 0.9383(2) 0.34678(19) 0.0135(6) Uani 1 1 d . . . . .
N12 N 1.1862(2) 0.7914(2) 0.37221(19) 0.0129(6) Uani 1 1 d . . . . .
N13 N 1.2464(3) 0.7627(2) 0.50175(19) 0.0148(7) Uani 1 1 d . . . . .
N14 N 1.3266(3) 0.8999(2) 0.4678(2) 0.0141(7) Uani 1 1 d . . . . .
C15 C 1.1206(3) 0.7146(3) 0.3706(2) 0.0128(7) Uani 1 1 d . . . . .
H15C H 1.0916 0.7294 0.3197 0.015 Uiso 1 1 calc R U . . .
H15D H 1.1602 0.6538 0.3784 0.015 Uiso 1 1 calc R U . . .
C16 C 1.2104(3) 0.6732(3) 0.5521(2) 0.0146(8) Uani 1 1 d . . . . .
H16A H 1.2351 0.6651 0.6038 0.018 Uiso 1 1 calc R U . . .
H16B H 1.2376 0.6189 0.5337 0.018 Uiso 1 1 calc R U . . .
O21 O 0.9273(2) 0.8048(2) 0.35331(16) 0.0173(6) Uani 1 1 d . . . . .
O22 O 1.0765(2) 0.6855(2) 0.67853(17) 0.0187(6) Uani 1 1 d . . . . .
C21 C 0.9510(3) 0.7477(3) 0.4142(2) 0.0119(7) Uani 1 1 d . . . . .
C22 C 1.0455(3) 0.6728(3) 0.6201(2) 0.0144(8) Uani 1 1 d . . . . .
C23 C 1.0453(3) 0.6361(3) 0.5039(2) 0.0126(7) Uani 1 1 d . . . . .
H23 H 1.0668 0.5695 0.5031 0.015 Uiso 1 1 calc R U . . .
C24 C 0.9363(3) 0.6398(3) 0.5358(2) 0.0142(8) Uani 1 1 d . . . . .
H24 H 0.9022 0.5777 0.5419 0.017 Uiso 1 1 calc R U . . .
N21 N 1.0411(3) 0.7012(2) 0.42770(19) 0.0137(6) Uani 1 1 d . . . . .
N22 N 0.8904(3) 0.7189(2) 0.47749(19) 0.0141(7) Uani 1 1 d . . . . .
N23 N 0.9488(3) 0.6580(2) 0.60814(19) 0.0139(7) Uani 1 1 d . . . . .
N24 N 1.1021(3) 0.6700(2) 0.55665(19) 0.0151(7) Uani 1 1 d . . . . .
C25 C 0.7829(3) 0.7370(3) 0.4744(2) 0.0145(8) Uani 1 1 d . . . . .
H25A H 0.7652 0.7639 0.4205 0.017 Uiso 1 1 calc R U . . .
H25B H 0.7490 0.6749 0.4944 0.017 Uiso 1 1 calc R U . . .
C26 C 0.8673(3) 0.6631(3) 0.6615(2) 0.0149(8) Uani 1 1 d . . . . .
H26A H 0.8935 0.6498 0.7133 0.018 Uiso 1 1 calc R U . . .
H26B H 0.8194 0.6125 0.6622 0.018 Uiso 1 1 calc R U . . .
O31 O 0.7154(2) 0.9348(2) 0.41531(17) 0.0190(6) Uani 1 1 d . . . . .
O32 O 0.8913(2) 0.8208(2) 0.72692(18) 0.0212(7) Uani 1 1 d . . . . .
C31 C 0.7111(3) 0.8935(3) 0.4839(2) 0.0150(8) Uani 1 1 d . . . . .
C32 C 0.8266(3) 0.8223(3) 0.6819(2) 0.0159(8) Uani 1 1 d . . . . .
C33 C 0.7260(3) 0.7729(3) 0.5991(2) 0.0137(7) Uani 1 1 d . . . . .
H33 H 0.6805 0.7172 0.6152 0.016 Uiso 1 1 calc R U . . .
C34 C 0.6782(3) 0.8655(3) 0.6150(2) 0.0132(7) Uani 1 1 d . . . . .
H34 H 0.6121 0.8528 0.6426 0.016 Uiso 1 1 calc R U . . .
N31 N 0.7459(3) 0.8023(3) 0.51701(19) 0.0152(7) Uani 1 1 d . . . . .
N32 N 0.6692(3) 0.9305(2) 0.5395(2) 0.0148(7) Uani 1 1 d . . . . .
N33 N 0.7516(3) 0.8917(2) 0.6613(2) 0.0147(7) Uani 1 1 d . . . . .
N34 N 0.8157(3) 0.7561(2) 0.6426(2) 0.0145(7) Uani 1 1 d . . . . .
C35 C 0.6150(3) 1.0219(3) 0.5246(2) 0.0155(8) Uani 1 1 d . . . . .
H35A H 0.5901 1.0384 0.4723 0.019 Uiso 1 1 calc R U . . .
H35B H 0.5563 1.0148 0.5604 0.019 Uiso 1 1 calc R U . . .
C36 C 0.7337(3) 0.9650(3) 0.7001(2) 0.0150(8) Uani 1 1 d . . . . .
H36A H 0.7752 0.9499 0.7455 0.018 Uiso 1 1 calc R U . . .
H36B H 0.6630 0.9634 0.7181 0.018 Uiso 1 1 calc R U . . .
Eu2 Eu 0.46543(2) 0.57265(2) 0.28455(2) 0.01225(5) Uani 0.5 1 d . . P B 1
O21M O 0.5965(2) 0.5665(3) 0.3737(2) 0.0277(8) Uani 1 1 d G . . . .
H21A H 0.5832 0.5888 0.4129 0.041 Uiso 1 1 d G U . B .
H21B H 0.6614 0.5660 0.3690 0.041 Uiso 1 1 d G U . B .
O22M O 0.4915(2) 0.7331(2) 0.29604(18) 0.0205(6) Uani 1 1 d . . . . .
H22A H 0.4849 0.7327 0.3440 0.031 Uiso 1 1 d R U . B .
H22B H 0.4440 0.7722 0.2737 0.031 Uiso 1 1 d R U . . .
O23M O 0.2972(2) 0.6570(2) 0.27229(17) 0.0196(6) Uani 1 1 d . . . . .
H23A H 0.2565 0.6258 0.2524 0.029 Uiso 1 1 d R U . B .
H23B H 0.3017 0.7132 0.2390 0.029 Uiso 1 1 d R U . . .
O24M O 0.3943(2) 0.5048(2) 0.19324(18) 0.0220(7) Uani 1 1 d . . . . .
H24A H 0.3717 0.4480 0.2164 0.033 Uiso 1 1 d R U . B .
H24B H 0.3416 0.5386 0.1745 0.033 Uiso 1 1 d R U . . .
O25M O 0.5186(3) 0.4042(2) 0.31917(19) 0.0245(7) Uani 1 1 d G . . . .
H25C H 0.5477 0.3677 0.2935 0.037 Uiso 1 1 d G U . B .
H25D H 0.5097 0.3663 0.3652 0.037 Uiso 1 1 d G U . B .
N2 N 0.3233(3) 0.5142(2) 0.4135(2) 0.0162(7) Uani 1 1 d . . . . .
O21N O 0.3277(2) 0.4717(2) 0.36131(18) 0.0183(6) Uani 1 1 d . . . . .
O22N O 0.3928(2) 0.5711(2) 0.41357(17) 0.0166(6) Uani 1 1 d . . . . .
O23N O 0.2540(2) 0.5027(2) 0.46090(19) 0.0251(7) Uani 1 1 d . . . . .
O41 O 0.4486(2) 0.6927(2) 0.15923(16) 0.0164(6) Uani 1 1 d . . . . .
O42 O 0.6106(2) 0.8145(2) -0.17127(17) 0.0215(7) Uani 1 1 d . . . . .
C41 C 0.4757(3) 0.7512(3) 0.0997(2) 0.0137(7) Uani 1 1 d . . . . .
C42 C 0.5790(3) 0.8235(3) -0.1096(2) 0.0160(8) Uani 1 1 d . . . . .
C43 C 0.4689(3) 0.8635(3) -0.0200(2) 0.0144(8) Uani 1 1 d . . . . .
H43 H 0.4394 0.9298 -0.0272 0.017 Uiso 1 1 calc R U . . .
C44 C 0.5769(3) 0.8557(3) 0.0086(2) 0.0149(8) Uani 1 1 d . . . . .
H44 H 0.5999 0.9192 0.0123 0.018 Uiso 1 1 calc R U . . .
N41 N 0.4162(3) 0.7929(2) 0.0407(2) 0.0153(7) Uani 1 1 d . . . . .
N42 N 0.5688(3) 0.7862(2) 0.0828(2) 0.0158(7) Uani 1 1 d . . . . .
N43 N 0.6344(3) 0.8232(3) -0.0486(2) 0.0167(7) Uani 1 1 d . . . . .
N44 N 0.4809(3) 0.8394(3) -0.0915(2) 0.0161(7) Uani 1 1 d . . . . .
C45 C 0.6479(3) 0.7620(3) 0.1364(2) 0.0148(8) Uani 1 1 d . . . . .
H45A H 0.6910 0.8182 0.1282 0.018 Uiso 1 1 calc R U . . .
H45B H 0.6185 0.7481 0.1889 0.018 Uiso 1 1 calc R U . . .
C46 C 0.7411(3) 0.8065(3) -0.0476(3) 0.0176(8) Uani 1 1 d . . . . .
H46A H 0.7718 0.8542 -0.0264 0.021 Uiso 1 1 calc R U . . .
H46B H 0.7677 0.8162 -0.1005 0.021 Uiso 1 1 calc R U . . .
O51 O 0.6170(2) 0.5641(2) 0.21576(17) 0.0174(6) Uani 1 1 d . . . . .
O52 O 0.8063(2) 0.6472(2) -0.10449(17) 0.0204(6) Uani 1 1 d . . . . .
C51 C 0.6857(3) 0.5881(3) 0.1674(2) 0.0139(7) Uani 1 1 d . . . . .
C52 C 0.8040(3) 0.6402(3) -0.0358(2) 0.0161(8) Uani 1 1 d . . . . .
C53 C 0.7937(3) 0.6854(3) 0.0774(2) 0.0140(7) Uani 1 1 d . . . . .
H53 H 0.8460 0.7277 0.0866 0.017 Uiso 1 1 calc R U . . .
C54 C 0.8307(3) 0.5778(3) 0.0948(2) 0.0152(8) Uani 1 1 d . . . . .
H54 H 0.8964 0.5672 0.1198 0.018 Uiso 1 1 calc R U . . .
N51 N 0.7082(3) 0.6803(2) 0.1296(2) 0.0155(7) Uani 1 1 d . . . . .
N52 N 0.7513(3) 0.5263(2) 0.14548(19) 0.0134(6) Uani 1 1 d . . . . .
N53 N 0.8378(3) 0.5628(3) 0.0200(2) 0.0158(7) Uani 1 1 d . . . . .
N54 N 0.7693(3) 0.7098(2) -0.0024(2) 0.0164(7) Uani 1 1 d . . . . .
C55 C 0.7582(3) 0.4261(3) 0.1898(2) 0.0161(8) Uani 1 1 d . . . . .
H55A H 0.8277 0.4103 0.2055 0.019 Uiso 1 1 calc R U . . .
H55B H 0.7152 0.4171 0.2365 0.019 Uiso 1 1 calc R U . . .
C56 C 0.8769(3) 0.4752(3) 0.0043(2) 0.0157(8) Uani 1 1 d . . . . .
H56A H 0.8979 0.4902 -0.0503 0.019 Uiso 1 1 calc R U . . .
H56B H 0.9369 0.4531 0.0344 0.019 Uiso 1 1 calc R U . . .
O61 O 0.5911(2) 0.2970(2) 0.22472(18) 0.0227(7) Uani 1 1 d . . . . .
O62 O 0.7635(2) 0.4101(2) -0.10173(16) 0.0168(6) Uani 1 1 d . . . . .
C61 C 0.6534(3) 0.2966(3) 0.1736(2) 0.0152(8) Uani 1 1 d . . . . .
C62 C 0.7641(3) 0.3673(3) -0.0337(2) 0.0125(7) Uani 1 1 d . . . . .
C63 C 0.7981(3) 0.3289(3) 0.0962(2) 0.0138(7) Uani 1 1 d . . . . .
H63 H 0.8643 0.3087 0.1191 0.017 Uiso 1 1 calc R U . . .
C64 C 0.7451(3) 0.2439(3) 0.0803(2) 0.0139(7) Uani 1 1 d . . . . .
H64 H 0.7888 0.1845 0.0904 0.017 Uiso 1 1 calc R U . . .
N61 N 0.7287(3) 0.3600(2) 0.1484(2) 0.0151(7) Uani 1 1 d . . . . .
N62 N 0.6596(3) 0.2314(3) 0.1319(2) 0.0166(7) Uani 1 1 d . . . . .
N63 N 0.7227(3) 0.2800(2) -0.00013(19) 0.0149(7) Uani 1 1 d . . . . .
N64 N 0.8076(3) 0.3976(2) 0.02122(19) 0.0149(7) Uani 1 1 d . . . . .
C65 C 0.5956(3) 0.1487(3) 0.1459(2) 0.0175(8) Uani 1 1 d . . . . .
H65A H 0.6373 0.0911 0.1448 0.021 Uiso 1 1 calc R U . . .
H65B H 0.5640 0.1369 0.1975 0.021 Uiso 1 1 calc R U . . .
C66 C 0.6907(3) 0.2186(3) -0.0442(2) 0.0148(8) Uani 1 1 d . . . . .
H66A H 0.7235 0.1544 -0.0254 0.018 Uiso 1 1 calc R U . . .
H66B H 0.7129 0.2458 -0.0980 0.018 Uiso 1 1 calc R U . . .
N3 N 1.0326(3) 0.7855(3) 0.0079(2) 0.0179(7) Uani 1 1 d . . . . .
O31N O 1.0726(3) 0.8640(3) 0.0002(2) 0.0290(8) Uani 1 1 d . . . . .
O32N O 1.0298(3) 0.7226(2) 0.07196(18) 0.0246(7) Uani 1 1 d . . . . .
O33N O 0.9971(3) 0.7669(3) -0.04826(19) 0.0297(8) Uani 1 1 d . . . . .
N4 N 0.8713(3) 0.5776(3) 0.3305(2) 0.0254(8) Uani 1 1 d . U . . .
O41N O 0.8101(3) 0.5483(4) 0.3833(3) 0.0599(14) Uani 1 1 d . U . . .
O42N O 0.8439(3) 0.6334(3) 0.2686(2) 0.0359(9) Uani 1 1 d . U . . .
O43N O 0.9607(3) 0.5559(3) 0.3411(2) 0.0379(9) Uani 1 1 d . U . . .
N5 N 0.5306(3) 0.7239(3) 0.4917(2) 0.0180(7) Uani 1 1 d . . . . .
O51N O 0.5590(3) 0.6390(2) 0.4997(2) 0.0273(8) Uani 1 1 d . . . . .
O52N O 0.5303(3) 0.7830(2) 0.42665(18) 0.0276(7) Uani 1 1 d . . . . .
O53N O 0.5045(3) 0.7521(3) 0.54906(19) 0.0292(8) Uani 1 1 d . . . . .
N6 N 1.3638(3) 0.9250(3) 0.1608(2) 0.0205(8) Uani 1 1 d . . . . .
O61N O 1.3451(3) 0.8616(2) 0.2222(2) 0.0300(8) Uani 1 1 d . . . . .
O62N O 1.4523(3) 0.9473(3) 0.1411(2) 0.0371(9) Uani 1 1 d . . . . .
O63N O 1.2956(3) 0.9654(3) 0.1193(2) 0.0361(9) Uani 1 1 d . . . . .
N7 N 1.020(2) 1.019(2) 0.4644(19) 0.095(5) Uani 0.25 1 d D U P C -1
O71N O 1.010(2) 0.956(2) 0.431(2) 0.089(5) Uani 0.25 1 d D U P C -1
O72N O 1.0899(18) 1.011(3) 0.5070(18) 0.083(5) Uani 0.25 1 d D U P C -1
O73N O 0.969(2) 1.094(2) 0.4450(17) 0.107(7) Uani 0.25 1 d D U P C -1
N7A N 0.9940(17) 0.9660(17) 0.5322(13) 0.088(5) Uani 0.25 1 d D U P D -2
O71A O 0.936(2) 0.951(3) 0.4868(18) 0.090(5) Uani 0.25 1 d D U P D -2
O72A O 0.972(2) 1.012(2) 0.5790(18) 0.078(6) Uani 0.25 1 d D U P D -2
O73A O 1.0790(19) 0.931(3) 0.5286(18) 0.092(5) Uani 0.25 1 d D U P D -2
N8 N 0.540(2) 0.4899(19) 0.0333(14) 0.088(5) Uani 0.25 1 d D U P E -1
O81N O 0.520(2) 0.5520(19) 0.0673(14) 0.078(6) Uani 0.25 1 d D U P E -1
O82N O 0.484(2) 0.4204(18) 0.0440(15) 0.091(6) Uani 0.25 1 d D U P E -1
O83N O 0.5961(14) 0.510(2) -0.0244(12) 0.079(5) Uani 0.25 1 d D U P E -1
N8A N 0.4999(18) 0.526(3) -0.0271(16) 0.085(5) Uani 0.25 1 d D U P F -2
O81A O 0.577(2) 0.573(2) -0.0430(16) 0.088(5) Uani 0.25 1 d D U P F -2
O82A O 0.4491(18) 0.556(2) 0.0197(14) 0.085(5) Uani 0.25 1 d D U P F -2
O83A O 0.4671(18) 0.494(2) -0.0775(14) 0.076(6) Uani 0.25 1 d D U P F -2
O1W O 0.8218(3) 1.1816(2) 0.27190(19) 0.0261(7) Uani 1 1 d G . . . .
H1WA H 0.7821 1.1847 0.3103 0.039 Uiso 1 1 d G U . . .
H1WB H 0.8735 1.2140 0.2763 0.039 Uiso 1 1 d G U . . .
O2W O 0.6038(3) 0.9206(3) 0.2540(3) 0.0520(12) Uani 1 1 d G . . . .
H2WA H 0.5815 0.9640 0.2759 0.078 Uiso 1 1 d DG U . . .
H2WB H 0.5696 0.9310 0.2130 0.078 Uiso 1 1 d G U . . .
O3W O 0.5721(3) 1.0713(4) 0.3308(2) 0.0510(12) Uani 1 1 d G . . . .
H3WA H 0.5888 1.0225 0.3689 0.077 Uiso 1 1 d DG U . . .
H3WB H 0.5959 1.1208 0.3416 0.077 Uiso 1 1 d DG U . . .
O4W O 1.1390(3) 0.5661(3) 0.2445(2) 0.0273(7) Uani 1 1 d G . . . .
H4WA H 1.1407 0.5593 0.1984 0.041 Uiso 1 1 d G U . . .
H4WB H 1.0757 0.5717 0.2557 0.041 Uiso 1 1 d G U . . .
O5W O 0.6772(3) 0.6665(2) 0.77593(19) 0.0250(7) Uani 1 1 d G . . . .
H5WA H 0.6318 0.7054 0.7870 0.038 Uiso 1 1 d G U . . .
H5WB H 0.7217 0.6607 0.8103 0.038 Uiso 1 1 d G U . . .
O6W O 0.9952(3) 0.6073(3) 0.8332(2) 0.0403(10) Uani 1 1 d G . . . .
H6WA H 0.9401 0.6328 0.8464 0.060 Uiso 1 1 d G U . . .
H6WB H 1.0132 0.6465 0.7893 0.060 Uiso 1 1 d G U . . .
Sm2 Sm 0.46543(2) 0.57265(2) 0.28455(2) 0.01225(5) Uani 0.5 1 d . . P B 2
Sm1 Sm 0.95237(2) 0.91771(2) 0.22447(2) 0.01225(5) Uani 0.5 1 d . . P A 4


_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 O11M 2.503(3) . ?
Eu1 O12M 2.418(3) . ?
Eu1 O13M 2.443(3) . ?
Eu1 O14M 2.445(3) . ?
Eu1 O15M 2.409(3) . ?
Eu1 N1 2.931(4) . ?
Eu1 O11N 2.489(3) . ?
Eu1 O12N 2.550(3) . ?
Eu1 O11 2.381(3) . ?
Eu1 O21 2.480(3) . ?
O11M H11A 0.8710 . ?
O11M H11B 0.8686 . ?
O11M Sm1 2.503(3) . ?
O12M H12A 0.8756 . ?
O12M H12B 0.8767 . ?
O12M Sm1 2.418(3) . ?
O13M H13A 0.8737 . ?
O13M H13B 0.8720 . ?
O13M Sm1 2.443(3) . ?
O14M H14A 0.8720 . ?
O14M H14B 0.8714 . ?
O14M Sm1 2.445(3) . ?
O15M H15A 0.8708 . ?
O15M H15B 0.8739 . ?
O15M Sm1 2.409(3) . ?
N1 O11N 1.273(4) . ?
N1 O12N 1.261(5) . ?
N1 O13N 1.230(5) . ?
N1 Sm1 2.931(4) . ?
O11N Sm1 2.489(3) . ?
O12N Sm1 2.550(3) . ?
O11 C11 1.240(5) . ?
O11 Sm1 2.381(3) . ?
O12 C12 1.224(5) . ?
C11 N11 1.357(5) . ?
C11 N12 1.355(5) . ?
C12 N13 1.376(5) . ?
C12 N14 1.363(5) . ?
C13 H13 1.0000 . ?
C13 C14 1.551(6) . ?
C13 N11 1.458(5) . ?
C13 N14 1.428(5) . ?
C14 H14 1.0000 . ?
C14 N12 1.448(5) . ?
C14 N13 1.463(5) . ?
N11 C36 1.453(5) 2_776 ?
N12 C15 1.452(5) . ?
N13 C16 1.449(5) . ?
N14 C35 1.443(5) 2_776 ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C15 N21 1.438(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 N24 1.456(5) . ?
O21 C21 1.235(5) . ?
O21 Sm1 2.480(3) . ?
O22 C22 1.227(5) . ?
C21 N21 1.361(5) . ?
C21 N22 1.359(5) . ?
C22 N23 1.362(5) . ?
C22 N24 1.366(5) . ?
C23 H23 1.0000 . ?
C23 C24 1.557(6) . ?
C23 N21 1.450(5) . ?
C23 N24 1.453(5) . ?
C24 H24 1.0000 . ?
C24 N22 1.467(5) . ?
C24 N23 1.436(5) . ?
N22 C25 1.460(5) . ?
N23 C26 1.447(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 N31 1.443(5) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 N34 1.451(5) . ?
O31 C31 1.229(5) . ?
O32 C32 1.219(5) . ?
C31 N31 1.364(5) . ?
C31 N32 1.366(5) . ?
C32 N33 1.383(5) . ?
C32 N34 1.364(5) . ?
C33 H33 1.0000 . ?
C33 C34 1.556(6) . ?
C33 N31 1.456(5) . ?
C33 N34 1.449(5) . ?
C34 H34 1.0000 . ?
C34 N32 1.444(5) . ?
C34 N33 1.455(5) . ?
N32 C35 1.448(5) . ?
N33 C36 1.439(5) . ?
C35 N14 1.443(5) 2_776 ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 N11 1.453(5) 2_776 ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
Eu2 O21M 2.436(3) . ?
Eu2 O22M 2.428(3) . ?
Eu2 O23M 2.517(3) . ?
Eu2 O24M 2.407(3) . ?
Eu2 O25M 2.429(3) . ?
Eu2 N2 2.919(4) . ?
Eu2 O21N 2.521(3) . ?
Eu2 O22N 2.505(3) . ?
Eu2 O41 2.473(3) . ?
Eu2 O51 2.363(3) . ?
O21M H21A 0.8723 . ?
O21M H21B 0.8715 . ?
O21M Sm2 2.436(3) . ?
O22M H22A 0.8761 . ?
O22M H22B 0.8730 . ?
O22M Sm2 2.428(3) . ?
O23M H23A 0.8740 . ?
O23M H23B 0.8718 . ?
O23M Sm2 2.517(3) . ?
O24M H24A 0.8713 . ?
O24M H24B 0.8725 . ?
O24M Sm2 2.407(3) . ?
O25M H25C 0.8705 . ?
O25M H25D 0.8725 . ?
O25M Sm2 2.429(3) . ?
N2 O21N 1.269(4) . ?
N2 O22N 1.269(4) . ?
N2 O23N 1.227(5) . ?
N2 Sm2 2.919(4) . ?
O21N Sm2 2.521(3) . ?
O22N Sm2 2.505(3) . ?
O41 C41 1.228(5) . ?
O41 Sm2 2.473(3) . ?
O42 C42 1.226(5) . ?
C41 N41 1.358(5) . ?
C41 N42 1.358(5) . ?
C42 N43 1.367(5) . ?
C42 N44 1.371(5) . ?
C43 H43 1.0000 . ?
C43 C44 1.555(6) . ?
C43 N41 1.458(5) . ?
C43 N44 1.444(5) . ?
C44 H44 1.0000 . ?
C44 N42 1.449(5) . ?
C44 N43 1.443(5) . ?
N41 C66 1.449(5) 2_665 ?
N42 C45 1.445(5) . ?
N43 C46 1.447(5) . ?
N44 C65 1.436(5) 2_665 ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 N51 1.438(5) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 N54 1.458(5) . ?
O51 C51 1.238(5) . ?
O51 Sm2 2.363(3) . ?
O52 C52 1.231(5) . ?
C51 N51 1.358(5) . ?
C51 N52 1.358(5) . ?
C52 N53 1.366(5) . ?
C52 N54 1.373(5) . ?
C53 H53 1.0000 . ?
C53 C54 1.565(6) . ?
C53 N51 1.450(5) . ?
C53 N54 1.452(5) . ?
C54 H54 1.0000 . ?
C54 N52 1.463(5) . ?
C54 N53 1.442(5) . ?
N52 C55 1.452(5) . ?
N53 C56 1.450(5) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 N61 1.450(5) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C56 N64 1.444(5) . ?
O61 C61 1.227(5) . ?
O62 C62 1.226(5) . ?
C61 N61 1.368(5) . ?
C61 N62 1.365(5) . ?
C62 N63 1.367(5) . ?
C62 N64 1.363(5) . ?
C63 H63 1.0000 . ?
C63 C64 1.546(6) . ?
C63 N61 1.452(5) . ?
C63 N64 1.455(5) . ?
C64 H64 1.0000 . ?
C64 N62 1.437(5) . ?
C64 N63 1.458(5) . ?
N62 C65 1.459(5) . ?
N63 C66 1.443(5) . ?
C65 N44 1.436(5) 2_665 ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 N41 1.449(5) 2_665 ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
N3 O31N 1.245(5) . ?
N3 O32N 1.266(5) . ?
N3 O33N 1.250(5) . ?
N4 O41N 1.230(5) . ?
N4 O42N 1.254(5) . ?
N4 O43N 1.241(5) . ?
N5 O51N 1.243(5) . ?
N5 O52N 1.257(5) . ?
N5 O53N 1.258(5) . ?
N6 O61N 1.257(5) . ?
N6 O62N 1.255(5) . ?
N6 O63N 1.239(5) . ?
N7 O71N 1.245(11) . ?
N7 O72N 1.233(10) . ?
N7 O73N 1.240(11) . ?
N7A O71A 1.232(11) . ?
N7A O72A 1.246(11) . ?
N7A O73A 1.239(11) . ?
N8 O81N 1.244(11) . ?
N8 O82N 1.245(11) . ?
N8 O83N 1.237(11) . ?
N8A O81A 1.239(11) . ?
N8A O82A 1.236(11) . ?
N8A O83A 1.242(11) . ?
O1W H1WA 0.8722 . ?
O1W H1WB 0.8725 . ?
O2W H2WA 0.8708 . ?
O2W H2WB 0.8722 . ?
O3W H3WA 0.8727 . ?
O3W H3WB 0.8695 . ?
O4W H4WA 0.8743 . ?
O4W H4WB 0.8716 . ?
O5W H5WA 0.8693 . ?
O5W H5WB 0.8719 . ?
O6W H6WA 0.8699 . ?
O6W H6WB 0.8734 . ?

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
O11M Eu1 N1 63.37(10) . . ?
O11M Eu1 O12N 69.20(11) . . ?
O12M Eu1 O11M 76.17(11) . . ?
O12M Eu1 O13M 70.55(11) . . ?
O12M Eu1 O14M 144.47(11) . . ?
O12M Eu1 N1 95.15(10) . . ?
O12M Eu1 O11N 119.64(10) . . ?
O12M Eu1 O12N 72.31(10) . . ?
O12M Eu1 O21 73.82(10) . . ?
O13M Eu1 O11M 132.39(11) . . ?
O13M Eu1 O14M 74.26(12) . . ?
O13M Eu1 N1 86.52(11) . . ?
O13M Eu1 O11N 101.20(12) . . ?
O13M Eu1 O12N 68.84(11) . . ?
O13M Eu1 O21 130.49(11) . . ?
O14M Eu1 O11M 134.42(11) . . ?
O14M Eu1 N1 87.36(10) . . ?
O14M Eu1 O11N 71.80(10) . . ?
O14M Eu1 O12N 99.47(10) . . ?
O14M Eu1 O21 129.33(10) . . ?
O15M Eu1 O11M 80.41(12) . . ?
O15M Eu1 O12M 141.00(11) . . ?
O15M Eu1 O13M 144.66(12) . . ?
O15M Eu1 O14M 71.89(12) . . ?
O15M Eu1 N1 101.67(12) . . ?
O15M Eu1 O11N 77.63(12) . . ?
O15M Eu1 O12N 126.65(12) . . ?
O15M Eu1 O21 68.43(11) . . ?
O11N Eu1 O11M 67.31(10) . . ?
O11N Eu1 N1 25.52(10) . . ?
O11N Eu1 O12N 50.71(10) . . ?
O12N Eu1 N1 25.41(10) . . ?
O11 Eu1 O11M 141.49(10) . . ?
O11 Eu1 O12M 90.66(10) . . ?
O11 Eu1 O13M 72.52(11) . . ?
O11 Eu1 O14M 74.13(10) . . ?
O11 Eu1 O15M 88.63(12) . . ?
O11 Eu1 N1 154.98(10) . . ?
O11 Eu1 O11N 145.74(10) . . ?
O11 Eu1 O12N 141.05(11) . . ?
O11 Eu1 O21 74.70(10) . . ?
O21 Eu1 O11M 66.91(10) . . ?
O21 Eu1 N1 130.26(10) . . ?
O21 Eu1 O11N 126.25(10) . . ?
O21 Eu1 O12N 129.36(10) . . ?
Eu1 O11M H11A 127.3 . . ?
Eu1 O11M H11B 117.9 . . ?
H11A O11M H11B 104.5 . . ?
Sm1 O11M H11A 127.3 . . ?
Sm1 O11M H11B 117.9 . . ?
Eu1 O12M H12A 109.5 . . ?
Eu1 O12M H12B 109.7 . . ?
H12A O12M H12B 104.3 . . ?
Sm1 O12M H12A 109.5 . . ?
Sm1 O12M H12B 109.7 . . ?
Eu1 O13M H13A 122.5 . . ?
Eu1 O13M H13B 131.6 . . ?
H13A O13M H13B 104.4 . . ?
Sm1 O13M H13A 122.5 . . ?
Sm1 O13M H13B 131.6 . . ?
Eu1 O14M H14A 123.9 . . ?
Eu1 O14M H14B 129.5 . . ?
H14A O14M H14B 104.7 . . ?
Sm1 O14M H14A 123.9 . . ?
Sm1 O14M H14B 129.5 . . ?
Eu1 O15M H15A 109.5 . . ?
Eu1 O15M H15B 109.9 . . ?
H15A O15M H15B 104.4 . . ?
Sm1 O15M H15A 109.5 . . ?
Sm1 O15M H15B 109.9 . . ?
O11N N1 Eu1 57.42(18) . . ?
O11N N1 Sm1 57.42(18) . . ?
O12N N1 Eu1 60.2(2) . . ?
O12N N1 O11N 116.8(3) . . ?
O12N N1 Sm1 60.2(2) . . ?
O13N N1 Eu1 170.5(3) . . ?
O13N N1 O11N 121.1(4) . . ?
O13N N1 O12N 122.1(4) . . ?
O13N N1 Sm1 170.5(3) . . ?
N1 O11N Eu1 97.1(2) . . ?
N1 O11N Sm1 97.1(2) . . ?
N1 O12N Eu1 94.4(2) . . ?
N1 O12N Sm1 94.4(2) . . ?
C11 O11 Eu1 158.3(3) . . ?
C11 O11 Sm1 158.3(3) . . ?
O11 C11 N11 125.0(4) . . ?
O11 C11 N12 125.5(4) . . ?
N12 C11 N11 109.4(3) . . ?
O12 C12 N13 125.6(4) . . ?
O12 C12 N14 126.5(4) . . ?
N14 C12 N13 107.8(3) . . ?
C14 C13 H13 111.7 . . ?
N11 C13 H13 111.7 . . ?
N11 C13 C14 103.5(3) . . ?
N14 C13 H13 111.7 . . ?
N14 C13 C14 103.1(3) . . ?
N14 C13 N11 114.6(3) . . ?
C13 C14 H14 111.8 . . ?
N12 C14 C13 102.5(3) . . ?
N12 C14 H14 111.8 . . ?
N12 C14 N13 115.1(3) . . ?
N13 C14 C13 103.0(3) . . ?
N13 C14 H14 111.8 . . ?
C11 N11 C13 111.3(3) . . ?
C11 N11 C36 123.3(3) . 2_776 ?
C36 N11 C13 122.3(3) 2_776 . ?
C11 N12 C14 112.6(3) . . ?
C11 N12 C15 123.9(3) . . ?
C14 N12 C15 123.5(3) . . ?
C12 N13 C14 111.3(3) . . ?
C12 N13 C16 122.3(3) . . ?
C16 N13 C14 124.1(3) . . ?
C12 N14 C13 113.7(3) . . ?
C12 N14 C35 123.1(3) . 2_776 ?
C13 N14 C35 122.5(3) . 2_776 ?
N12 C15 H15C 109.0 . . ?
N12 C15 H15D 109.0 . . ?
H15C C15 H15D 107.8 . . ?
N21 C15 N12 113.1(3) . . ?
N21 C15 H15C 109.0 . . ?
N21 C15 H15D 109.0 . . ?
N13 C16 H16A 109.1 . . ?
N13 C16 H16B 109.1 . . ?
N13 C16 N24 112.5(3) . . ?
H16A C16 H16B 107.8 . . ?
N24 C16 H16A 109.1 . . ?
N24 C16 H16B 109.1 . . ?
C21 O21 Eu1 157.2(3) . . ?
C21 O21 Sm1 157.2(3) . . ?
O21 C21 N21 125.3(4) . . ?
O21 C21 N22 125.4(4) . . ?
N22 C21 N21 109.3(3) . . ?
O22 C22 N23 125.4(4) . . ?
O22 C22 N24 125.8(4) . . ?
N23 C22 N24 108.8(3) . . ?
C24 C23 H23 111.8 . . ?
N21 C23 H23 111.8 . . ?
N21 C23 C24 103.0(3) . . ?
N21 C23 N24 114.9(3) . . ?
N24 C23 H23 111.8 . . ?
N24 C23 C24 102.9(3) . . ?
C23 C24 H24 111.6 . . ?
N22 C24 C23 102.7(3) . . ?
N22 C24 H24 111.6 . . ?
N23 C24 C23 102.9(3) . . ?
N23 C24 H24 111.6 . . ?
N23 C24 N22 115.7(3) . . ?
C15 N21 C23 125.1(3) . . ?
C21 N21 C15 122.5(3) . . ?
C21 N21 C23 112.4(3) . . ?
C21 N22 C24 111.6(3) . . ?
C21 N22 C25 121.5(3) . . ?
C25 N22 C24 122.7(3) . . ?
C22 N23 C24 112.6(3) . . ?
C22 N23 C26 123.7(3) . . ?
C24 N23 C26 123.7(3) . . ?
C22 N24 C16 123.8(3) . . ?
C22 N24 C23 111.2(3) . . ?
C23 N24 C16 122.8(3) . . ?
N22 C25 H25A 108.8 . . ?
N22 C25 H25B 108.8 . . ?
H25A C25 H25B 107.6 . . ?
N31 C25 N22 114.0(3) . . ?
N31 C25 H25A 108.8 . . ?
N31 C25 H25B 108.8 . . ?
N23 C26 H26A 109.1 . . ?
N23 C26 H26B 109.1 . . ?
N23 C26 N34 112.7(3) . . ?
H26A C26 H26B 107.8 . . ?
N34 C26 H26A 109.1 . . ?
N34 C26 H26B 109.1 . . ?
O31 C31 N31 125.6(4) . . ?
O31 C31 N32 125.8(4) . . ?
N31 C31 N32 108.6(3) . . ?
O32 C32 N33 126.2(4) . . ?
O32 C32 N34 126.1(4) . . ?
N34 C32 N33 107.7(3) . . ?
C34 C33 H33 112.0 . . ?
N31 C33 H33 112.0 . . ?
N31 C33 C34 103.1(3) . . ?
N34 C33 H33 112.0 . . ?
N34 C33 C34 103.7(3) . . ?
N34 C33 N31 113.3(3) . . ?
C33 C34 H34 111.8 . . ?
N32 C34 C33 103.1(3) . . ?
N32 C34 H34 111.8 . . ?
N32 C34 N33 114.9(3) . . ?
N33 C34 C33 102.6(3) . . ?
N33 C34 H34 111.8 . . ?
C25 N31 C33 123.5(3) . . ?
C31 N31 C25 123.6(3) . . ?
C31 N31 C33 112.2(3) . . ?
C31 N32 C34 112.7(3) . . ?
C31 N32 C35 123.9(3) . . ?
C34 N32 C35 123.2(3) . . ?
C32 N33 C34 112.5(3) . . ?
C32 N33 C36 121.8(3) . . ?
C36 N33 C34 123.3(3) . . ?
C32 N34 C26 122.8(3) . . ?
C32 N34 C33 112.8(3) . . ?
C33 N34 C26 121.3(3) . . ?
N14 C35 N32 113.8(3) 2_776 . ?
N14 C35 H35A 108.8 2_776 . ?
N14 C35 H35B 108.8 2_776 . ?
N32 C35 H35A 108.8 . . ?
N32 C35 H35B 108.8 . . ?
H35A C35 H35B 107.7 . . ?
N11 C36 H36A 108.8 2_776 . ?
N11 C36 H36B 108.8 2_776 . ?
N33 C36 N11 113.9(3) . 2_776 ?
N33 C36 H36A 108.8 . . ?
N33 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?
O21M Eu2 O23M 130.64(11) . . ?
O21M Eu2 N2 89.19(11) . . ?
O21M Eu2 O21N 105.70(11) . . ?
O21M Eu2 O22N 69.14(10) . . ?
O21M Eu2 O41 125.78(11) . . ?
O22M Eu2 O21M 70.23(12) . . ?
O22M Eu2 O23M 73.75(10) . . ?
O22M Eu2 O25M 147.22(12) . . ?
O22M Eu2 N2 96.67(10) . . ?
O22M Eu2 O21N 120.45(10) . . ?
O22M Eu2 O22N 75.07(10) . . ?
O22M Eu2 O41 69.99(10) . . ?
O23M Eu2 N2 62.64(10) . . ?
O23M Eu2 O21N 66.11(10) . . ?
O24M Eu2 O21M 148.30(11) . . ?
O24M Eu2 O22M 136.44(10) . . ?
O24M Eu2 O23M 79.98(10) . . ?
O24M Eu2 O25M 74.20(11) . . ?
O24M Eu2 N2 101.35(11) . . ?
O24M Eu2 O21N 77.04(10) . . ?
O24M Eu2 O22N 126.73(10) . . ?
O24M Eu2 O41 68.14(10) . . ?
O25M Eu2 O21M 77.09(13) . . ?
O25M Eu2 O23M 133.33(11) . . ?
O25M Eu2 N2 85.07(10) . . ?
O25M Eu2 O21N 70.56(11) . . ?
O25M Eu2 O22N 95.84(10) . . ?
O25M Eu2 O41 131.68(10) . . ?
O21N Eu2 N2 25.67(9) . . ?
O22N Eu2 O23M 69.79(10) . . ?
O22N Eu2 N2 25.64(9) . . ?
O22N Eu2 O21N 51.02(9) . . ?
O41 Eu2 O23M 67.96(10) . . ?
O41 Eu2 N2 130.59(10) . . ?
O41 Eu2 O21N 125.85(10) . . ?
O41 Eu2 O22N 130.84(10) . . ?
O51 Eu2 O21M 74.24(11) . . ?
O51 Eu2 O22M 94.80(11) . . ?
O51 Eu2 O23M 141.94(10) . . ?
O51 Eu2 O24M 84.94(11) . . ?
O51 Eu2 O25M 73.59(11) . . ?
O51 Eu2 N2 155.29(10) . . ?
O51 Eu2 O21N 143.03(10) . . ?
O51 Eu2 O22N 143.31(10) . . ?
O51 Eu2 O41 74.00(10) . . ?
Eu2 O21M H21A 118.6 . . ?
Eu2 O21M H21B 133.1 . . ?
H21A O21M H21B 104.4 . . ?
Sm2 O21M H21A 118.6 . . ?
Sm2 O21M H21B 133.1 . . ?
Eu2 O22M H22A 109.6 . . ?
Eu2 O22M H22B 109.5 . . ?
H22A O22M H22B 104.5 . . ?
Sm2 O22M H22A 109.6 . . ?
Sm2 O22M H22B 109.5 . . ?
Eu2 O23M H23A 109.4 . . ?
Eu2 O23M H23B 109.5 . . ?
H23A O23M H23B 104.3 . . ?
Sm2 O23M H23A 109.4 . . ?
Sm2 O23M H23B 109.5 . . ?
Eu2 O24M H24A 109.6 . . ?
Eu2 O24M H24B 109.9 . . ?
H24A O24M H24B 104.3 . . ?
Sm2 O24M H24A 109.6 . . ?
Sm2 O24M H24B 109.9 . . ?
Eu2 O25M H25C 132.9 . . ?
Eu2 O25M H25D 122.3 . . ?
H25C O25M H25D 104.8 . . ?
Sm2 O25M H25C 132.9 . . ?
Sm2 O25M H25D 122.3 . . ?
O21N N2 Eu2 59.37(18) . . ?
O21N N2 Sm2 59.37(18) . . ?
O22N N2 Eu2 58.7(2) . . ?
O22N N2 O21N 117.0(3) . . ?
O22N N2 Sm2 58.7(2) . . ?
O23N N2 Eu2 169.2(3) . . ?
O23N N2 O21N 121.8(3) . . ?
O23N N2 O22N 121.2(4) . . ?
O23N N2 Sm2 169.2(3) . . ?
N2 O21N Eu2 95.0(2) . . ?
N2 O21N Sm2 95.0(2) . . ?
N2 O22N Eu2 95.7(2) . . ?
N2 O22N Sm2 95.7(2) . . ?
C41 O41 Eu2 157.5(3) . . ?
C41 O41 Sm2 157.5(3) . . ?
O41 C41 N41 125.2(4) . . ?
O41 C41 N42 125.7(4) . . ?
N41 C41 N42 109.1(3) . . ?
O42 C42 N43 126.6(4) . . ?
O42 C42 N44 125.0(4) . . ?
N43 C42 N44 108.4(4) . . ?
C44 C43 H43 111.5 . . ?
N41 C43 H43 111.5 . . ?
N41 C43 C44 103.1(3) . . ?
N44 C43 H43 111.5 . . ?
N44 C43 C44 103.4(3) . . ?
N44 C43 N41 115.0(3) . . ?
C43 C44 H44 111.6 . . ?
N42 C44 C43 103.0(3) . . ?
N42 C44 H44 111.6 . . ?
N43 C44 C43 103.2(3) . . ?
N43 C44 H44 111.6 . . ?
N43 C44 N42 115.1(3) . . ?
C41 N41 C43 112.0(3) . . ?
C41 N41 C66 123.3(3) . 2_665 ?
C66 N41 C43 123.8(3) 2_665 . ?
C41 N42 C44 112.6(3) . . ?
C41 N42 C45 122.9(3) . . ?
C45 N42 C44 124.3(3) . . ?
C42 N43 C44 112.1(4) . . ?
C42 N43 C46 123.1(4) . . ?
C44 N43 C46 124.1(4) . . ?
C42 N44 C43 112.0(3) . . ?
C42 N44 C65 122.1(4) . 2_665 ?
C65 N44 C43 124.5(3) 2_665 . ?
N42 C45 H45A 109.0 . . ?
N42 C45 H45B 109.0 . . ?
H45A C45 H45B 107.8 . . ?
N51 C45 N42 113.1(3) . . ?
N51 C45 H45A 109.0 . . ?
N51 C45 H45B 109.0 . . ?
N43 C46 H46A 109.1 . . ?
N43 C46 H46B 109.1 . . ?
N43 C46 N54 112.5(3) . . ?
H46A C46 H46B 107.8 . . ?
N54 C46 H46A 109.1 . . ?
N54 C46 H46B 109.1 . . ?
C51 O51 Eu2 159.8(3) . . ?
C51 O51 Sm2 159.8(3) . . ?
O51 C51 N51 125.1(4) . . ?
O51 C51 N52 125.0(4) . . ?
N51 C51 N52 109.8(3) . . ?
O52 C52 N53 125.8(4) . . ?
O52 C52 N54 125.8(4) . . ?
N53 C52 N54 108.5(4) . . ?
C54 C53 H53 111.9 . . ?
N51 C53 H53 111.9 . . ?
N51 C53 C54 102.8(3) . . ?
N51 C53 N54 114.4(3) . . ?
N54 C53 H53 111.9 . . ?
N54 C53 C54 103.3(3) . . ?
C53 C54 H54 111.8 . . ?
N52 C54 C53 102.9(3) . . ?
N52 C54 H54 111.8 . . ?
N53 C54 C53 102.4(3) . . ?
N53 C54 H54 111.8 . . ?
N53 C54 N52 115.3(3) . . ?
C45 N51 C53 124.5(3) . . ?
C51 N51 C45 123.0(3) . . ?
C51 N51 C53 112.3(3) . . ?
C51 N52 C54 111.4(3) . . ?
C51 N52 C55 120.2(3) . . ?
C55 N52 C54 124.7(3) . . ?
C52 N53 C54 113.1(3) . . ?
C52 N53 C56 122.6(4) . . ?
C54 N53 C56 124.2(4) . . ?
C52 N54 C46 121.8(4) . . ?
C52 N54 C53 111.4(4) . . ?
C53 N54 C46 124.1(3) . . ?
N52 C55 H55A 108.9 . . ?
N52 C55 H55B 108.9 . . ?
H55A C55 H55B 107.8 . . ?
N61 C55 N52 113.2(3) . . ?
N61 C55 H55A 108.9 . . ?
N61 C55 H55B 108.9 . . ?
N53 C56 H56A 108.6 . . ?
N53 C56 H56B 108.6 . . ?
H56A C56 H56B 107.6 . . ?
N64 C56 N53 114.5(3) . . ?
N64 C56 H56A 108.6 . . ?
N64 C56 H56B 108.6 . . ?
O61 C61 N61 126.7(4) . . ?
O61 C61 N62 125.4(4) . . ?
N62 C61 N61 107.9(3) . . ?
O62 C62 N63 125.7(4) . . ?
O62 C62 N64 125.9(4) . . ?
N64 C62 N63 108.4(3) . . ?
C64 C63 H63 111.9 . . ?
N61 C63 H63 111.9 . . ?
N61 C63 C64 103.4(3) . . ?
N61 C63 N64 113.9(3) . . ?
N64 C63 H63 111.9 . . ?
N64 C63 C64 103.2(3) . . ?
C63 C64 H64 111.7 . . ?
N62 C64 C63 103.0(3) . . ?
N62 C64 H64 111.7 . . ?
N62 C64 N63 114.8(3) . . ?
N63 C64 C63 103.1(3) . . ?
N63 C64 H64 111.7 . . ?
C55 N61 C63 121.2(3) . . ?
C61 N61 C55 122.9(4) . . ?
C61 N61 C63 111.7(3) . . ?
C61 N62 C64 113.1(3) . . ?
C61 N62 C65 123.8(3) . . ?
C64 N62 C65 122.5(3) . . ?
C62 N63 C64 112.3(3) . . ?
C62 N63 C66 122.1(3) . . ?
C66 N63 C64 122.7(3) . . ?
C56 N64 C63 122.4(3) . . ?
C62 N64 C56 123.2(3) . . ?
C62 N64 C63 112.6(3) . . ?
N44 C65 N62 113.5(3) 2_665 . ?
N44 C65 H65A 108.9 2_665 . ?
N44 C65 H65B 108.9 2_665 . ?
N62 C65 H65A 108.9 . . ?
N62 C65 H65B 108.9 . . ?
H65A C65 H65B 107.7 . . ?
N41 C66 H66A 108.8 2_665 . ?
N41 C66 H66B 108.8 2_665 . ?
N63 C66 N41 113.7(3) . 2_665 ?
N63 C66 H66A 108.8 . . ?
N63 C66 H66B 108.8 . . ?
H66A C66 H66B 107.7 . . ?
O31N N3 O32N 120.6(4) . . ?
O31N N3 O33N 120.1(4) . . ?
O33N N3 O32N 119.3(4) . . ?
O41N N4 O42N 120.1(4) . . ?
O41N N4 O43N 119.0(4) . . ?
O43N N4 O42N 120.8(4) . . ?
O51N N5 O52N 120.4(4) . . ?
O51N N5 O53N 120.2(4) . . ?
O52N N5 O53N 119.3(4) . . ?
O62N N6 O61N 119.9(4) . . ?
O63N N6 O61N 120.5(4) . . ?
O63N N6 O62N 119.6(4) . . ?
O72N N7 O71N 119.4(10) . . ?
O72N N7 O73N 120.6(10) . . ?
O73N N7 O71N 118.9(10) . . ?
O71A N7A O72A 125(3) . . ?
O71A N7A O73A 115(3) . . ?
O73A N7A O72A 120(2) . . ?
O81N N8 O82N 118.4(11) . . ?
O83N N8 O81N 119.2(11) . . ?
O83N N8 O82N 119.3(11) . . ?
O81A N8A O83A 117(3) . . ?
O82A N8A O81A 108(3) . . ?
O82A N8A O83A 126(3) . . ?
H1WA O1W H1WB 104.4 . . ?
H2WA O2W H2WB 104.7 . . ?
H3WA O3W H3WB 104.3 . . ?
H4WA O4W H4WB 104.4 . . ?
H5WA O5W H5WB 104.4 . . ?
H6WA O6W H6WB 104.5 . . ?
O21M Sm2 O23M 130.64(11) . . ?
O21M Sm2 N2 89.19(11) . . ?
O21M Sm2 O21N 105.70(11) . . ?
O21M Sm2 O22N 69.14(10) . . ?
O21M Sm2 O41 125.78(11) . . ?
O22M Sm2 O21M 70.23(12) . . ?
O22M Sm2 O23M 73.75(10) . . ?
O22M Sm2 O25M 147.22(12) . . ?
O22M Sm2 N2 96.67(10) . . ?
O22M Sm2 O21N 120.45(10) . . ?
O22M Sm2 O22N 75.07(10) . . ?
O22M Sm2 O41 69.99(10) . . ?
O23M Sm2 N2 62.64(10) . . ?
O23M Sm2 O21N 66.11(10) . . ?
O24M Sm2 O21M 148.30(11) . . ?
O24M Sm2 O22M 136.44(10) . . ?
O24M Sm2 O23M 79.98(10) . . ?
O24M Sm2 O25M 74.20(11) . . ?
O24M Sm2 N2 101.35(11) . . ?
O24M Sm2 O21N 77.04(10) . . ?
O24M Sm2 O22N 126.73(10) . . ?
O24M Sm2 O41 68.14(10) . . ?
O25M Sm2 O21M 77.09(13) . . ?
O25M Sm2 O23M 133.33(11) . . ?
O25M Sm2 N2 85.07(10) . . ?
O25M Sm2 O21N 70.56(11) . . ?
O25M Sm2 O22N 95.84(10) . . ?
O25M Sm2 O41 131.68(10) . . ?
O21N Sm2 N2 25.67(9) . . ?
O22N Sm2 O23M 69.79(10) . . ?
O22N Sm2 N2 25.64(9) . . ?
O22N Sm2 O21N 51.02(9) . . ?
O41 Sm2 O23M 67.96(10) . . ?
O41 Sm2 N2 130.59(10) . . ?
O41 Sm2 O21N 125.85(10) . . ?
O41 Sm2 O22N 130.84(10) . . ?
O51 Sm2 O21M 74.24(11) . . ?
O51 Sm2 O22M 94.80(11) . . ?
O51 Sm2 O23M 141.94(10) . . ?
O51 Sm2 O24M 84.94(11) . . ?
O51 Sm2 O25M 73.59(11) . . ?
O51 Sm2 N2 155.29(10) . . ?
O51 Sm2 O21N 143.03(10) . . ?
O51 Sm2 O22N 143.31(10) . . ?
O51 Sm2 O41 74.00(10) . . ?
O11M Sm1 N1 63.37(10) . . ?
O11M Sm1 O12N 69.20(11) . . ?
O12M Sm1 O11M 76.17(11) . . ?
O12M Sm1 O13M 70.55(11) . . ?
O12M Sm1 O14M 144.47(11) . . ?
O12M Sm1 N1 95.15(10) . . ?
O12M Sm1 O11N 119.64(10) . . ?
O12M Sm1 O12N 72.31(10) . . ?
O12M Sm1 O21 73.82(10) . . ?
O13M Sm1 O11M 132.39(11) . . ?
O13M Sm1 O14M 74.26(12) . . ?
O13M Sm1 N1 86.52(11) . . ?
O13M Sm1 O11N 101.20(12) . . ?
O13M Sm1 O12N 68.84(11) . . ?
O13M Sm1 O21 130.49(11) . . ?
O14M Sm1 O11M 134.42(11) . . ?
O14M Sm1 N1 87.36(10) . . ?
O14M Sm1 O11N 71.80(10) . . ?
O14M Sm1 O12N 99.47(10) . . ?
O14M Sm1 O21 129.33(10) . . ?
O15M Sm1 O11M 80.41(12) . . ?
O15M Sm1 O12M 141.00(11) . . ?
O15M Sm1 O13M 144.66(12) . . ?
O15M Sm1 O14M 71.89(12) . . ?
O15M Sm1 N1 101.67(12) . . ?
O15M Sm1 O11N 77.63(12) . . ?
O15M Sm1 O12N 126.65(12) . . ?
O15M Sm1 O21 68.43(11) . . ?
O11N Sm1 O11M 67.31(10) . . ?
O11N Sm1 N1 25.52(10) . . ?
O11N Sm1 O12N 50.71(10) . . ?
O12N Sm1 N1 25.41(10) . . ?
O11 Sm1 O11M 141.49(10) . . ?
O11 Sm1 O12M 90.66(10) . . ?
O11 Sm1 O13M 72.52(11) . . ?
O11 Sm1 O14M 74.13(10) . . ?
O11 Sm1 O15M 88.63(12) . . ?
O11 Sm1 N1 154.98(10) . . ?
O11 Sm1 O11N 145.74(10) . . ?
O11 Sm1 O12N 141.05(11) . . ?
O11 Sm1 O21 74.70(10) . . ?
O21 Sm1 O11M 66.91(10) . . ?
O21 Sm1 N1 130.26(10) . . ?
O21 Sm1 O11N 126.25(10) . . ?
O21 Sm1 O12N 129.36(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.1935(6)
2 0.8065(6)

_vrf_PLAT430_km789-3             
;
PROBLEM: Short Inter D...A Contact O23N ..O41N . 2.84 Ang.
1-x,1-y,1-z = 2_666 Check
RESPONSE: O41N atom of one of the nitrates shows unresolved disorder
which reduces the observed distance.
;
_exptl_crystal_preparation       Luminescent
