# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_liuxueguang_0513-1_auto
_database_code_depnum_ccdc_archive 'CCDC 2158094'
loop_
_audit_author_name
_audit_author_address
'Xueguang Liu'
;Lanzhou University
China
;
_audit_update_record             
;
2022-03-12 deposited with the CCDC.	2022-06-13 downloaded from the CCDC.
;
_audit_creation_date             2021-05-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C82 H61 Eu2 N7 O21, 2(C4 H9 N O), C H3.5 O, H2 O'
_chemical_formula_sum            'C91 H84.50 Eu2 N9 O25'
_chemical_formula_weight         2008.09
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   17.6657(4)
_cell_length_b                   42.3715(9)
_cell_length_c                   11.9739(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.227(2)
_cell_angle_gamma                90
_cell_volume                     8909.8(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    34218
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      30.9260
_cell_measurement_theta_min      1.9040
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.476
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.105a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4078
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0440
_diffrn_reflns_av_unetI/netI     0.0515
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.792
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -58
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            70046
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.792
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.001
_diffrn_reflns_theta_min         1.777
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.792
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -3.00  22.50   0.50    0.30    --   -6.59  37.00  60.00   51
  2  ω     37.00  64.50   0.50    0.30    --   -6.59  37.00  60.00   55
  3  ω    -18.00  26.50   0.50    0.30    --    3.62 -99.00  60.00   89
  4  ω    -18.00  25.50   0.50    0.30    --   -6.59 -99.00-150.00   87
  5  ω     -9.00  72.50   0.50    0.30    --    3.62  19.00-150.00  163
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0083956000
_diffrn_orient_matrix_UB_12      -0.0140608000
_diffrn_orient_matrix_UB_13      -0.0310405000
_diffrn_orient_matrix_UB_21      -0.0036071000
_diffrn_orient_matrix_UB_22      0.0088175000
_diffrn_orient_matrix_UB_23      -0.0506514000
_diffrn_orient_matrix_UB_31      0.0393405000
_diffrn_orient_matrix_UB_32      -0.0021976000
_diffrn_orient_matrix_UB_33      -0.0046180000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16954
_reflns_number_total             22526
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.105a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.105a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.105a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         3.257
_refine_diff_density_min         -1.586
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1177
_refine_ls_number_reflns         22526
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0428
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0351P)²+16.8994P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0938
_refine_ls_wR_factor_ref         0.1014
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C6) \\sim Ueq, Uanis(C8) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3. Others
 Fixed Sof: H00W(0.5) C6(0.5) H6A(0.5) H6B(0.5) H6C(0.5) C8(0.5) H8A(0.5)
 H8B(0.5) H8C(0.5)
4.a Free rotating group:
 O011(H01B,H01D)
4.b Rotating group:
 O00D(H00A,H00B)
4.c Aromatic/amide H refined with riding coordinates:
 N00M(H00M), N00P(H00P), N00R(H00R), N00S(H00S), N00T(H00T), N00U(H00U),
 C016(H016), C01A(H01A), C01C(H01C), C01E(H01E), C01F(H01F), C01I(H01I),
 C01K(H01K), C01M(H01M), C01Q(H01Q), C01R(H01R), C01X(H01X), C01Z(H01Z),
 C021(H021), C022(H022), C024(H024), C025(H025), C026(H026), C028(H028),
 C029(H029), C02A(H02A), C02B(H02B), C02D(H02D), C02G(H02G), C02I(H02I),
 C02K(H02K), C02L(H02L), C02M(H02M), C02N(H02N), C02Q(H02Q), C02R(H02R),
 C02U(H02U), C02V(H02V), C02W(H02W), C02X(H02X), C02Y(H02Y), C02Z(H02Z),
 C030(H030), C031(H031), C032(H032), C035(H035), C036(H036), C038(H038)
4.d Idealised Me refined as rotating group:
 C037(H03J,H03K,H03L), C03A(H03M,H03N,H03O), C03C(H03P,H03Q,H03R), C03D(H03A,
 H03B,H03C), C03E(H03S,H03T,H03U), C03F(H03D,H03E,H03F), C03G(H03V,H03W,H03X),
 C03H(H03Y,H,HA), C03K(H03G,H03H,H03I), C6(H6A,H6B,H6C), C8(H8A,H8B,H8C)
4.e Idealised tetrahedral OH refined as rotating group:
 O00W(H00W)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.92107(2) 0.50387(2) 0.61650(2) 0.01380(5) Uani 1 1 d . . . . .
Eu02 Eu 0.62287(2) 0.50437(2) 0.53559(2) 0.01552(5) Uani 1 1 d . . . . .
O003 O 0.35826(14) 0.44367(6) -0.4584(2) 0.0214(5) Uani 1 1 d . . . . .
O004 O 0.82273(14) 0.54107(6) 0.6114(2) 0.0236(5) Uani 1 1 d . . . . .
O005 O 0.42476(13) 0.47610(5) -0.3418(2) 0.0195(5) Uani 1 1 d . . . . .
O006 O 0.88177(14) 0.46828(6) 1.4683(2) 0.0245(6) Uani 1 1 d . . . . .
O007 O 0.50451(14) 0.46856(5) 0.4648(2) 0.0215(5) Uani 1 1 d . . . . .
O008 O 0.61751(14) 0.45994(6) 0.4094(2) 0.0240(5) Uani 1 1 d . . . . .
O009 O 0.70622(13) 0.53490(6) 0.6669(2) 0.0215(5) Uani 1 1 d . . . . .
O00A O 0.68273(13) 0.34411(6) 1.1804(2) 0.0242(6) Uani 1 1 d . . . . .
O00B O 0.82221(13) 0.47373(6) 0.6746(2) 0.0213(5) Uani 1 1 d . . . . .
O00C O 0.69871(14) 0.46433(6) 0.6266(2) 0.0260(6) Uani 1 1 d . . . . .
O00D O 0.73951(14) 0.50496(6) 0.4376(2) 0.0237(5) Uani 1 1 d . . . . .
H00A H 0.772617 0.517837 0.472095 0.036 Uiso 1 1 d R U . . .
H00B H 0.761425 0.486527 0.444121 0.036 Uiso 1 1 d R U . . .
O00E O 0.87616(14) 0.67408(6) 0.9641(2) 0.0287(6) Uani 1 1 d . . . . .
O00F O 0.85600(14) 0.32760(6) 0.9443(2) 0.0284(6) Uani 1 1 d . . . . .
O00G O 0.39704(13) 0.32892(6) 0.1524(2) 0.0260(6) Uani 1 1 d . . . . .
O00H O 0.97182(14) 0.46171(6) 1.3534(2) 0.0287(6) Uani 1 1 d . . . . .
O00I O 0.57450(14) 0.33613(7) -0.0783(3) 0.0325(7) Uani 1 1 d . . . . .
O00J O 0.70157(14) 0.65151(6) 1.1599(2) 0.0300(6) Uani 1 1 d . . . . .
O00K O 0.56977(16) 0.49571(7) 0.7095(2) 0.0289(6) Uani 1 1 d . . . . .
O00L O 1.00693(15) 0.54133(6) 1.3174(3) 0.0326(7) Uani 1 1 d . . . . .
N00M N 0.72953(15) 0.32519(6) 0.9540(2) 0.0165(6) Uani 1 1 d . . . . .
H00M H 0.685279 0.334782 0.940878 0.020 Uiso 1 1 calc R U . . .
O00N O 0.93011(18) 0.53135(6) 1.4463(2) 0.0359(7) Uani 1 1 d . . . . .
O00O O 0.93349(18) 0.51433(8) 0.8092(2) 0.0383(7) Uani 1 1 d . . . . .
N00P N 0.79485(15) 0.31791(6) 1.1813(2) 0.0169(6) Uani 1 1 d . . . . .
H00P H 0.843489 0.318036 1.206748 0.020 Uiso 1 1 calc R U . . .
O00Q O 0.6294(2) 0.46883(8) 0.9038(3) 0.0486(8) Uani 1 1 d . . . . .
N00R N 0.45290(16) 0.31846(7) -0.0888(2) 0.0191(6) Uani 1 1 d . . . . .
H00R H 0.404681 0.322104 -0.111786 0.023 Uiso 1 1 calc R U . . .
N00S N 0.74774(16) 0.67770(7) 0.9536(2) 0.0181(6) Uani 1 1 d . . . . .
H00S H 0.704012 0.668746 0.929743 0.022 Uiso 1 1 calc R U . . .
N00T N 0.52210(15) 0.32218(6) 0.1355(2) 0.0170(6) Uani 1 1 d . . . . .
H00T H 0.568622 0.329696 0.149115 0.020 Uiso 1 1 calc R U . . .
N00U N 0.80638(16) 0.68312(7) 1.1858(3) 0.0197(6) Uani 1 1 d . . . . .
H00U H 0.852746 0.684709 1.220562 0.024 Uiso 1 1 calc R U . . .
O00V O 0.92471(18) 0.30147(8) 1.3158(3) 0.0493(9) Uani 1 1 d . . . . .
O00W O 0.93231(17) 0.69789(8) 1.3410(3) 0.0436(8) Uani 1 1 d . . . . .
H00W H 0.885775 0.699957 1.348023 0.065 Uiso 0.5 1 calc R U P A 2
C00X C 0.87150(19) 0.42449(8) 1.3448(3) 0.0175(7) Uani 1 1 d . . . . .
C00Y C 0.40323(19) 0.44835(8) -0.3705(3) 0.0183(7) Uani 1 1 d . . . . .
C00Z C 0.43160(19) 0.42052(8) -0.3023(3) 0.0192(7) Uani 1 1 d . . . . .
C010 C 0.5482(2) 0.45328(8) 0.4058(3) 0.0204(7) Uani 1 1 d . . . . .
O011 O 1.00972(16) 0.63918(8) 0.9748(3) 0.0467(9) Uani 1 1 d G . . . .
H01B H 0.968848 0.650280 0.980179 0.070 Uiso 1 1 d G U . . .
H01D H 1.046948 0.652531 0.988905 0.070 Uiso 1 1 d G U . . .
C012 C 0.76321(19) 0.45738(8) 0.6753(3) 0.0173(7) Uani 1 1 d . . . . .
C013 C 0.90449(19) 0.57662(8) 1.3279(3) 0.0191(7) Uani 1 1 d . . . . .
N014 N 0.6891(2) 0.46860(9) 1.0793(3) 0.0391(9) Uani 1 1 d . . . . .
C015 C 0.91159(19) 0.45390(8) 1.3924(3) 0.0194(7) Uani 1 1 d . . . . .
C016 C 0.70617(18) 0.26906(8) 0.9453(3) 0.0162(6) Uani 1 1 d . . . . .
H016 H 0.682690 0.271842 0.870794 0.019 Uiso 1 1 calc R U . . .
C017 C 0.75188(19) 0.34308(8) 1.2022(3) 0.0172(7) Uani 1 1 d . . . . .
C018 C 0.73287(18) 0.29479(7) 1.0058(3) 0.0150(6) Uani 1 1 d . . . . .
C019 C 0.79580(18) 0.37071(7) 1.2549(3) 0.0160(6) Uani 1 1 d . . . . .
C01A C 0.90570(19) 0.40461(8) 1.2726(3) 0.0215(7) Uani 1 1 d . . . . .
H01A H 0.955079 0.409553 1.253214 0.026 Uiso 1 1 calc R U . . .
C01B C 0.76480(18) 0.29112(8) 1.1196(3) 0.0151(6) Uani 1 1 d . . . . .
C01C C 0.41010(19) 0.39061(8) -0.3398(3) 0.0199(7) Uani 1 1 d . . . . .
H01C H 0.380006 0.388167 -0.409976 0.024 Uiso 1 1 calc R U . . .
C01D C 0.76891(19) 0.54872(8) 0.6701(3) 0.0189(7) Uani 1 1 d . . . . .
C01E C 0.79869(19) 0.41704(8) 1.3731(3) 0.0189(7) Uani 1 1 d . . . . .
H01E H 0.775112 0.430114 1.423734 0.023 Uiso 1 1 calc R U . . .
C01F C 0.8558(2) 0.62386(8) 0.8003(3) 0.0239(8) Uani 1 1 d . . . . .
H01F H 0.899215 0.636774 0.794824 0.029 Uiso 1 1 calc R U . . .
C01G C 0.78263(19) 0.57712(8) 0.7441(3) 0.0198(7) Uani 1 1 d . . . . .
C01H C 0.76935(19) 0.42687(8) 0.7409(3) 0.0173(7) Uani 1 1 d . . . . .
C01I C 0.77101(18) 0.26173(8) 1.1670(3) 0.0174(7) Uani 1 1 d . . . . .
H01I H 0.792229 0.259517 1.242982 0.021 Uiso 1 1 calc R U . . .
C01J C 0.51874(19) 0.42626(8) 0.3332(3) 0.0185(7) Uani 1 1 d . . . . .
C01K C 0.93491(19) 0.59907(8) 1.2615(3) 0.0209(7) Uani 1 1 d . . . . .
H01K H 0.985790 0.596640 1.244131 0.025 Uiso 1 1 calc R U . . .
C01L C 0.48093(18) 0.37085(8) 0.2154(3) 0.0176(7) Uani 1 1 d . . . . .
C01M C 0.71068(19) 0.38075(8) 0.8120(3) 0.0206(7) Uani 1 1 d . . . . .
H01M H 0.666330 0.368547 0.818904 0.025 Uiso 1 1 calc R U . . .
C01N C 0.74629(19) 0.23457(8) 1.1045(3) 0.0166(7) Uani 1 1 d . . . . .
C01O C 0.46268(19) 0.33933(8) 0.1642(3) 0.0181(7) Uani 1 1 d . . . . .
C01P C 0.78148(19) 0.37037(8) 0.8629(3) 0.0178(7) Uani 1 1 d . . . . .
C01Q C 0.76117(18) 0.39062(8) 1.3273(3) 0.0170(7) Uani 1 1 d . . . . .
H01Q H 0.711281 0.385969 1.345176 0.020 Uiso 1 1 calc R U . . .
C01R C 0.8395(2) 0.41700(9) 0.7922(3) 0.0263(8) Uani 1 1 d . . . . .
H01R H 0.883503 0.429431 0.785638 0.032 Uiso 1 1 calc R U . . .
C01S C 0.80273(19) 0.63223(8) 0.8724(3) 0.0204(7) Uani 1 1 d . . . . .
C01T C 0.74647(18) 0.70723(8) 1.0100(3) 0.0168(7) Uani 1 1 d . . . . .
C01U C 0.77507(18) 0.70975(8) 1.1257(3) 0.0167(7) Uani 1 1 d . . . . .
C01V C 0.47869(18) 0.36793(8) -0.1766(3) 0.0186(7) Uani 1 1 d . . . . .
C01W C 0.71280(18) 0.23823(8) 0.9917(3) 0.0164(7) Uani 1 1 d . . . . .
C01X C 0.43180(19) 0.36440(8) -0.2767(3) 0.0209(7) Uani 1 1 d . . . . .
H01X H 0.414848 0.344023 -0.301279 0.025 Uiso 1 1 calc R U . . .
C01Y C 0.9499(2) 0.54790(8) 1.3680(3) 0.0238(8) Uani 1 1 d . . . . .
C01Z C 0.8455(2) 0.59662(9) 0.7363(3) 0.0234(8) Uani 1 1 d . . . . .
H01Z H 0.881676 0.591155 0.686429 0.028 Uiso 1 1 calc R U . . .
C020 C 0.52451(18) 0.23533(8) 0.0895(3) 0.0173(7) Uani 1 1 d . . . . .
C021 C 0.86923(19) 0.37782(8) 1.2285(3) 0.0205(7) Uani 1 1 d . . . . .
H021 H 0.893827 0.364287 1.180475 0.025 Uiso 1 1 calc R U . . .
C022 C 0.7050(2) 0.40861(8) 0.7518(3) 0.0218(7) Uani 1 1 d . . . . .
H022 H 0.656677 0.415392 0.717520 0.026 Uiso 1 1 calc R U . . .
C023 C 0.51041(18) 0.29222(7) 0.0838(3) 0.0154(6) Uani 1 1 d . . . . .
C024 C 0.53479(19) 0.26551(8) 0.1396(3) 0.0187(7) Uani 1 1 d . . . . .
H024 H 0.559328 0.267147 0.213998 0.022 Uiso 1 1 calc R U . . .
C025 C 0.89312(19) 0.62495(8) 1.2198(3) 0.0200(7) Uani 1 1 d . . . . .
H025 H 0.915619 0.640222 1.175599 0.024 Uiso 1 1 calc R U . . .
C026 C 0.71824(19) 0.73321(8) 0.9520(3) 0.0197(7) Uani 1 1 d . . . . .
H026 H 0.696248 0.730891 0.876503 0.024 Uiso 1 1 calc R U . . .
C027 C 0.48622(19) 0.23326(8) -0.0218(3) 0.0189(7) Uani 1 1 d . . . . .
C028 C 0.7307(2) 0.58532(8) 0.8195(3) 0.0237(8) Uani 1 1 d . . . . .
H028 H 0.688253 0.572040 0.826944 0.028 Uiso 1 1 calc R U . . .
C029 C 0.4333(2) 0.38251(8) 0.2910(3) 0.0228(7) Uani 1 1 d . . . . .
H029 H 0.387970 0.371504 0.302526 0.027 Uiso 1 1 calc R U . . .
C02A C 0.54489(19) 0.38825(8) 0.1928(3) 0.0203(7) Uani 1 1 d . . . . .
H02A H 0.575234 0.381252 0.136779 0.024 Uiso 1 1 calc R U . . .
C02B C 0.4793(2) 0.42417(9) -0.2026(3) 0.0266(8) Uani 1 1 d . . . . .
H02B H 0.494717 0.444648 -0.177009 0.032 Uiso 1 1 calc R U . . .
C02C C 0.72104(18) 0.76353(8) 1.0022(3) 0.0193(7) Uani 1 1 d . . . . .
C02D C 0.8295(2) 0.58061(9) 1.3524(4) 0.0313(9) Uani 1 1 d . . . . .
H02D H 0.807935 0.565835 1.399543 0.038 Uiso 1 1 calc R U . . .
C02E C 0.81233(19) 0.66279(8) 0.9350(3) 0.0192(7) Uani 1 1 d . . . . .
C02F C 0.79259(19) 0.33955(8) 0.9247(3) 0.0178(7) Uani 1 1 d . . . . .
C02G C 0.4520(2) 0.41021(8) 0.3499(3) 0.0220(7) Uani 1 1 d . . . . .
H02G H 0.419395 0.418187 0.401293 0.026 Uiso 1 1 calc R U . . .
C02H C 0.5064(2) 0.33970(8) -0.1103(3) 0.0210(7) Uani 1 1 d . . . . .
C02I C 0.6907(2) 0.21090(8) 0.9281(3) 0.0226(7) Uani 1 1 d . . . . .
H02I H 0.668192 0.213097 0.852829 0.027 Uiso 1 1 calc R U . . .
N02J N 0.97333(19) 0.25860(8) 1.4067(3) 0.0340(8) Uani 1 1 d . . . . .
C02K C 0.7014(2) 0.18144(8) 0.9735(3) 0.0262(8) Uani 1 1 d . . . . .
H02K H 0.687062 0.163370 0.929168 0.031 Uiso 1 1 calc R U . . .
C02L C 0.56370(19) 0.41548(8) 0.2518(3) 0.0222(7) Uani 1 1 d . . . . .
H02L H 0.607589 0.427080 0.237163 0.027 Uiso 1 1 calc R U . . .
C02M C 0.7405(2) 0.61252(8) 0.8834(3) 0.0239(8) Uani 1 1 d . . . . .
H02M H 0.704960 0.617792 0.934595 0.029 Uiso 1 1 calc R U . . .
C02N C 0.77702(19) 0.73883(8) 1.1766(3) 0.0195(7) Uani 1 1 d . . . . .
H02N H 0.795898 0.740542 1.253689 0.023 Uiso 1 1 calc R U . . .
C02O C 0.47409(18) 0.29010(8) -0.0288(3) 0.0174(7) Uani 1 1 d . . . . .
C02P C 0.76917(19) 0.65541(8) 1.1930(3) 0.0212(7) Uani 1 1 d . . . . .
C02Q C 0.8458(2) 0.38907(9) 0.8532(3) 0.0272(9) Uani 1 1 d . . . . .
H02Q H 0.894001 0.382617 0.888657 0.033 Uiso 1 1 calc R U . . .
C02R C 0.46173(19) 0.26148(8) -0.0786(3) 0.0193(7) Uani 1 1 d . . . . .
H02R H 0.436323 0.260326 -0.152599 0.023 Uiso 1 1 calc R U . . .
C02S C 0.81819(19) 0.62853(8) 1.2428(3) 0.0201(7) Uani 1 1 d . . . . .
C02T C 0.75149(19) 0.76631(8) 1.1165(3) 0.0190(7) Uani 1 1 d . . . . .
C02U C 0.7548(2) 0.20365(8) 1.1494(3) 0.0220(7) Uani 1 1 d . . . . .
H02U H 0.775656 0.200871 1.225252 0.026 Uiso 1 1 calc R U . . .
C02V C 0.7863(2) 0.60587(9) 1.3085(4) 0.0307(9) Uani 1 1 d . . . . .
H02V H 0.734662 0.607809 1.323066 0.037 Uiso 1 1 calc R U . . .
C02W C 0.5042(2) 0.39768(9) -0.1409(3) 0.0268(8) Uani 1 1 d . . . . .
H02W H 0.538502 0.399870 -0.074502 0.032 Uiso 1 1 calc R U . . .
C02X C 0.7340(2) 0.82304(9) 1.1041(4) 0.0296(9) Uani 1 1 d . . . . .
H02X H 0.738391 0.843311 1.138070 0.036 Uiso 1 1 calc R U . . .
C02Y C 0.7044(2) 0.82007(9) 0.9901(4) 0.0293(9) Uani 1 1 d . . . . .
H02Y H 0.689377 0.838383 0.947620 0.035 Uiso 1 1 calc R U . . .
C02Z C 0.6974(2) 0.79115(9) 0.9409(3) 0.0270(8) Uani 1 1 d . . . . .
H02Z H 0.676433 0.789404 0.864636 0.032 Uiso 1 1 calc R U . . .
C030 C 0.5041(2) 0.17674(9) -0.0157(4) 0.0311(9) Uani 1 1 d . . . . .
H030 H 0.497643 0.156642 -0.050629 0.037 Uiso 1 1 calc R U . . .
C031 C 0.5508(2) 0.20755(8) 0.1455(3) 0.0238(8) Uani 1 1 d . . . . .
H031 H 0.574624 0.208728 0.220408 0.029 Uiso 1 1 calc R U . . .
C032 C 0.7563(2) 0.79685(9) 1.1655(3) 0.0247(8) Uani 1 1 d . . . . .
H032 H 0.775441 0.799109 1.242319 0.030 Uiso 1 1 calc R U . . .
C033 C 0.9740(2) 0.28062(10) 1.3278(4) 0.0330(9) Uani 1 1 d . . . . .
C034 C 0.6429(3) 0.48258(12) 0.9975(4) 0.0434(11) Uani 1 1 d . . . . .
C035 C 0.7334(2) 0.17774(8) 1.0854(3) 0.0259(8) Uani 1 1 d . . . . .
H035 H 0.740283 0.157204 1.116655 0.031 Uiso 1 1 calc R U . . .
C036 C 0.4760(2) 0.20298(8) -0.0723(3) 0.0259(8) Uani 1 1 d . . . . .
H036 H 0.449694 0.200983 -0.145462 0.031 Uiso 1 1 calc R U . . .
C037 C 0.7227(3) 0.43786(11) 1.0566(4) 0.0447(11) Uani 1 1 d . . . . .
H03J H 0.689419 0.420942 1.078448 0.067 Uiso 1 1 calc R U . . .
H03K H 0.772804 0.435999 1.100003 0.067 Uiso 1 1 calc R U . . .
H03L H 0.728215 0.436123 0.976308 0.067 Uiso 1 1 calc R U . . .
C038 C 0.5422(2) 0.17900(9) 0.0933(4) 0.0295(9) Uani 1 1 d . . . . .
H038 H 0.562187 0.160537 0.130700 0.035 Uiso 1 1 calc R U . . .
N039 N 0.8831(3) 0.52782(15) 0.9633(4) 0.0785(16) Uani 1 1 d . . . . .
C03A C 0.7105(3) 0.48323(13) 1.1892(4) 0.0486(12) Uani 1 1 d . . . . .
H03M H 0.690425 0.504804 1.188860 0.073 Uiso 1 1 calc R U . . .
H03N H 0.766076 0.483771 1.204484 0.073 Uiso 1 1 calc R U . . .
H03O H 0.689170 0.470906 1.247567 0.073 Uiso 1 1 calc R U . . .
C03B C 0.9377(4) 0.52891(14) 0.9011(5) 0.0617(15) Uani 1 1 d . . . . .
C03C C 0.6104(4) 0.51480(15) 1.0219(6) 0.0713(18) Uani 1 1 d . . . . .
H03P H 0.573707 0.512561 1.077110 0.107 Uiso 1 1 calc R U . . .
H03Q H 0.584835 0.523769 0.952307 0.107 Uiso 1 1 calc R U . . .
H03R H 0.651806 0.528840 1.051867 0.107 Uiso 1 1 calc R U . . .
C03D C 0.8165(4) 0.50683(14) 0.9290(5) 0.0652(17) Uani 1 1 d . . . . .
H03A H 0.769846 0.519495 0.919430 0.098 Uiso 1 1 calc R U . . .
H03B H 0.812303 0.490858 0.987183 0.098 Uiso 1 1 calc R U . . .
H03C H 0.823794 0.496400 0.857896 0.098 Uiso 1 1 calc R U . . .
C03E C 1.0376(3) 0.28000(13) 1.2531(4) 0.0487(12) Uani 1 1 d . . . . .
H03S H 1.029285 0.296642 1.196227 0.073 Uiso 1 1 calc R U . . .
H03T H 1.038478 0.259420 1.215917 0.073 Uiso 1 1 calc R U . . .
H03U H 1.086394 0.283549 1.298643 0.073 Uiso 1 1 calc R U . . .
C03F C 1.0061(3) 0.54899(13) 0.9415(5) 0.0609(16) Uani 1 1 d . . . . .
H03D H 0.992211 0.571356 0.934994 0.091 Uiso 1 1 calc R U . . .
H03E H 1.047539 0.544630 0.895536 0.091 Uiso 1 1 calc R U . . .
H03F H 1.022894 0.543981 1.020243 0.091 Uiso 1 1 calc R U . . .
C03G C 0.9140(3) 0.25838(13) 1.4821(4) 0.0473(12) Uani 1 1 d . . . . .
H03V H 0.937210 0.260541 1.559818 0.071 Uiso 1 1 calc R U . . .
H03W H 0.885883 0.238430 1.473667 0.071 Uiso 1 1 calc R U . . .
H03X H 0.878991 0.276003 1.463449 0.071 Uiso 1 1 calc R U . . .
C03H C 1.0349(3) 0.23594(12) 1.4330(5) 0.0524(14) Uani 1 1 d . . . . .
H03Y H 1.060222 0.231902 1.365613 0.079 Uiso 1 1 calc R U . . .
H H 1.013929 0.216159 1.458949 0.079 Uiso 1 1 calc R U . . .
HA H 1.071776 0.244539 1.492266 0.079 Uiso 1 1 calc R U . . .
C03K C 0.8843(5) 0.5466(2) 1.0676(6) 0.115(3) Uani 1 1 d . . . . .
H03G H 0.896044 0.532763 1.132805 0.173 Uiso 1 1 calc R U . . .
H03H H 0.834386 0.556400 1.071081 0.173 Uiso 1 1 calc R U . . .
H03I H 0.923315 0.563056 1.068091 0.173 Uiso 1 1 calc R U . . .
H00C H 0.597(3) 0.4857(12) 0.767(5) 0.051(15) Uiso 1 1 d . . . . .
H00D H 0.521(3) 0.4856(13) 0.697(5) 0.060(16) Uiso 1 1 d . . . . .
C6 C 0.9885(5) 0.6820(2) 1.3590(8) 0.033(2) Uani 0.5 1 d . U P B 1
H6A H 1.029454 0.694657 1.398354 0.050 Uiso 0.5 1 calc R U P B 1
H6B H 1.004173 0.674474 1.287599 0.050 Uiso 0.5 1 calc R U P B 1
H6C H 0.977643 0.663899 1.405619 0.050 Uiso 0.5 1 calc R U P B 1
C8 C 0.9613(5) 0.6766(2) 1.4101(8) 0.0295(18) Uani 0.5 1 d . U P B 2
H8A H 0.961063 0.656200 1.371565 0.044 Uiso 0.5 1 calc R U P B 2
H8B H 0.931159 0.675099 1.473863 0.044 Uiso 0.5 1 calc R U P B 2
H8C H 1.013836 0.682410 1.437194 0.044 Uiso 0.5 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 Eu01 4.1661(3) 3_766 ?
Eu01 O004 2.342(2) . ?
Eu01 O006 2.375(2) 1_554 ?
Eu01 O00B 2.330(2) . ?
Eu01 O00H 2.385(2) 3_767 ?
Eu01 O00L 2.386(3) 3_767 ?
Eu01 O00N 2.367(3) 1_554 ?
Eu01 O00O 2.337(3) . ?
Eu01 C01Y 3.155(4) 3_767 ?
Eu02 Eu02 4.3482(3) 3_666 ?
Eu02 O003 2.425(2) 3_665 ?
Eu02 O005 2.520(2) 3_665 ?
Eu02 O007 2.525(2) 3_666 ?
Eu02 O007 2.647(2) . ?
Eu02 O008 2.409(2) . ?
Eu02 O009 2.411(2) . ?
Eu02 O00C 2.354(2) . ?
Eu02 O00D 2.480(2) . ?
Eu02 O00K 2.403(3) . ?
Eu02 C00Y 2.817(3) 3_665 ?
O003 C00Y 1.263(4) . ?
O004 C01D 1.283(4) . ?
O005 C00Y 1.272(4) . ?
O006 C015 1.256(4) . ?
O007 C010 1.277(4) . ?
O008 C010 1.253(4) . ?
O009 C01D 1.250(4) . ?
O00A C017 1.222(4) . ?
O00B C012 1.252(4) . ?
O00C C012 1.257(4) . ?
O00D H00A 0.8709 . ?
O00D H00B 0.8714 . ?
O00E C02E 1.240(4) . ?
O00F C02F 1.228(4) . ?
O00G C01O 1.234(4) . ?
O00H C015 1.252(4) . ?
O00I C02H 1.232(4) . ?
O00J C02P 1.228(4) . ?
O00K H00C 0.91(6) . ?
O00K H00D 0.96(6) . ?
O00L C01Y 1.262(5) . ?
N00M H00M 0.8800 . ?
N00M C018 1.428(4) . ?
N00M C02F 1.349(4) . ?
O00N C01Y 1.251(5) . ?
O00O C03B 1.257(6) . ?
N00P H00P 0.8800 . ?
N00P C017 1.348(4) . ?
N00P C01B 1.425(4) . ?
O00Q C034 1.264(6) . ?
N00R H00R 0.8800 . ?
N00R C02H 1.350(4) . ?
N00R C02O 1.429(4) . ?
N00S H00S 0.8800 . ?
N00S C01T 1.423(4) . ?
N00S C02E 1.344(4) . ?
N00T H00T 0.8800 . ?
N00T C01O 1.352(4) . ?
N00T C023 1.418(4) . ?
N00U H00U 0.8800 . ?
N00U C01U 1.418(4) . ?
N00U C02P 1.353(4) . ?
O00V C033 1.238(5) . ?
O00W H00W 0.8400 . ?
O00W C6 1.199(9) . ?
O00W C8 1.292(9) . ?
C00X C015 1.514(5) . ?
C00X C01A 1.391(5) . ?
C00X C01E 1.401(5) . ?
C00Y C00Z 1.490(5) . ?
C00Z C01C 1.384(5) . ?
C00Z C02B 1.394(5) . ?
C010 C01J 1.497(5) . ?
O011 H01B 0.8698 . ?
O011 H01D 0.8700 . ?
C012 C01H 1.510(4) . ?
C013 C01K 1.385(5) . ?
C013 C01Y 1.507(5) . ?
C013 C02D 1.398(5) . ?
N014 C034 1.343(6) . ?
N014 C037 1.469(6) . ?
N014 C03A 1.466(6) . ?
C016 H016 0.9500 . ?
C016 C018 1.364(5) . ?
C016 C01W 1.420(5) . ?
C017 C019 1.505(4) . ?
C018 C01B 1.426(5) . ?
C019 C01Q 1.397(5) . ?
C019 C021 1.401(5) . ?
C01A H01A 0.9500 . ?
C01A C021 1.381(5) . ?
C01B C01I 1.368(5) . ?
C01C H01C 0.9500 . ?
C01C C01X 1.375(5) . ?
C01D C01G 1.499(5) . ?
C01E H01E 0.9500 . ?
C01E C01Q 1.384(5) . ?
C01F H01F 0.9500 . ?
C01F C01S 1.387(5) . ?
C01F C01Z 1.386(5) . ?
C01G C01Z 1.395(5) . ?
C01G C028 1.398(5) . ?
C01H C01R 1.386(5) . ?
C01H C022 1.393(5) . ?
C01I H01I 0.9500 . ?
C01I C01N 1.416(5) . ?
C01J C02G 1.394(5) . ?
C01J C02L 1.399(5) . ?
C01K H01K 0.9500 . ?
C01K C025 1.385(5) . ?
C01L C01O 1.490(5) . ?
C01L C029 1.392(5) . ?
C01L C02A 1.400(5) . ?
C01M H01M 0.9500 . ?
C01M C01P 1.401(5) . ?
C01M C022 1.381(5) . ?
C01N C01W 1.424(5) . ?
C01N C02U 1.418(5) . ?
C01P C02F 1.504(5) . ?
C01P C02Q 1.400(5) . ?
C01Q H01Q 0.9500 . ?
C01R H01R 0.9500 . ?
C01R C02Q 1.389(5) . ?
C01S C02E 1.497(5) . ?
C01S C02M 1.399(5) . ?
C01T C01U 1.426(5) . ?
C01T C026 1.366(5) . ?
C01U C02N 1.373(5) . ?
C01V C01X 1.389(5) . ?
C01V C02H 1.489(5) . ?
C01V C02W 1.390(5) . ?
C01W C02I 1.417(5) . ?
C01X H01X 0.9500 . ?
C01Z H01Z 0.9500 . ?
C020 C024 1.416(5) . ?
C020 C027 1.430(5) . ?
C020 C031 1.408(5) . ?
C021 H021 0.9500 . ?
C022 H022 0.9500 . ?
C023 C024 1.360(5) . ?
C023 C02O 1.432(5) . ?
C024 H024 0.9500 . ?
C025 H025 0.9500 . ?
C025 C02S 1.389(5) . ?
C026 H026 0.9500 . ?
C026 C02C 1.417(5) . ?
C027 C02R 1.420(5) . ?
C027 C036 1.422(5) . ?
C028 H028 0.9500 . ?
C028 C02M 1.384(5) . ?
C029 H029 0.9500 . ?
C029 C02G 1.390(5) . ?
C02A H02A 0.9500 . ?
C02A C02L 1.375(5) . ?
C02B H02B 0.9500 . ?
C02B C02W 1.389(5) . ?
C02C C02T 1.421(5) . ?
C02C C02Z 1.420(5) . ?
C02D H02D 0.9500 . ?
C02D C02V 1.385(5) . ?
C02G H02G 0.9500 . ?
C02I H02I 0.9500 . ?
C02I C02K 1.366(5) . ?
N02J C033 1.329(5) . ?
N02J C03G 1.455(5) . ?
N02J C03H 1.459(5) . ?
C02K H02K 0.9500 . ?
C02K C035 1.406(6) . ?
C02L H02L 0.9500 . ?
C02M H02M 0.9500 . ?
C02N H02N 0.9500 . ?
C02N C02T 1.416(5) . ?
C02O C02R 1.359(5) . ?
C02P C02S 1.514(5) . ?
C02Q H02Q 0.9500 . ?
C02R H02R 0.9500 . ?
C02S C02V 1.398(5) . ?
C02T C032 1.419(5) . ?
C02U H02U 0.9500 . ?
C02U C035 1.368(5) . ?
C02V H02V 0.9500 . ?
C02W H02W 0.9500 . ?
C02X H02X 0.9500 . ?
C02X C02Y 1.413(6) . ?
C02X C032 1.366(5) . ?
C02Y H02Y 0.9500 . ?
C02Y C02Z 1.359(5) . ?
C02Z H02Z 0.9500 . ?
C030 H030 0.9500 . ?
C030 C036 1.367(6) . ?
C030 C038 1.406(6) . ?
C031 H031 0.9500 . ?
C031 C038 1.363(5) . ?
C032 H032 0.9500 . ?
C033 C03E 1.511(6) . ?
C034 C03C 1.521(8) . ?
C035 H035 0.9500 . ?
C036 H036 0.9500 . ?
C037 H03J 0.9800 . ?
C037 H03K 0.9800 . ?
C037 H03L 0.9800 . ?
C038 H038 0.9500 . ?
N039 C03B 1.281(8) . ?
N039 C03D 1.496(8) . ?
N039 C03K 1.479(8) . ?
C03A H03M 0.9800 . ?
C03A H03N 0.9800 . ?
C03A H03O 0.9800 . ?
C03B C03F 1.514(8) . ?
C03C H03P 0.9800 . ?
C03C H03Q 0.9800 . ?
C03C H03R 0.9800 . ?
C03D H03A 0.9800 . ?
C03D H03B 0.9800 . ?
C03D H03C 0.9800 . ?
C03E H03S 0.9800 . ?
C03E H03T 0.9800 . ?
C03E H03U 0.9800 . ?
C03F H03D 0.9800 . ?
C03F H03E 0.9800 . ?
C03F H03F 0.9800 . ?
C03G H03V 0.9800 . ?
C03G H03W 0.9800 . ?
C03G H03X 0.9800 . ?
C03H H03Y 0.9800 . ?
C03H H 0.9800 . ?
C03H HA 0.9800 . ?
C03K H03G 0.9800 . ?
C03K H03H 0.9800 . ?
C03K H03I 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?

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
O004 Eu01 Eu01 125.76(6) . 3_766 ?
O004 Eu01 O006 104.60(9) . 1_554 ?
O004 Eu01 O00H 99.59(9) . 3_767 ?
O004 Eu01 O00L 156.35(10) . 3_767 ?
O004 Eu01 O00N 76.45(10) . 1_554 ?
O004 Eu01 C01Y 177.37(9) . 3_767 ?
O006 Eu01 Eu01 67.18(6) 1_554 3_766 ?
O006 Eu01 O00H 131.61(9) 1_554 3_767 ?
O006 Eu01 O00L 80.82(10) 1_554 3_767 ?
O006 Eu01 C01Y 75.72(9) 1_554 3_767 ?
O00B Eu01 Eu01 137.28(6) . 3_766 ?
O00B Eu01 O004 78.38(8) . . ?
O00B Eu01 O006 72.98(9) . 1_554 ?
O00B Eu01 O00H 153.90(9) . 3_767 ?
O00B Eu01 O00L 81.42(9) . 3_767 ?
O00B Eu01 O00N 130.50(10) . 1_554 ?
O00B Eu01 O00O 78.59(10) . . ?
O00B Eu01 C01Y 99.30(9) . 3_767 ?
O00H Eu01 Eu01 64.64(6) 3_767 3_766 ?
O00H Eu01 O00L 93.15(10) 3_767 3_767 ?
O00H Eu01 C01Y 81.94(9) 3_767 3_767 ?
O00L Eu01 Eu01 77.74(7) 3_767 3_766 ?
O00L Eu01 C01Y 21.03(10) 3_767 3_767 ?
O00N Eu01 Eu01 49.44(8) 1_554 3_766 ?
O00N Eu01 O006 73.18(10) 1_554 1_554 ?
O00N Eu01 O00H 72.71(10) 1_554 3_767 ?
O00N Eu01 O00L 126.67(10) 1_554 3_767 ?
O00N Eu01 C01Y 106.08(10) 1_554 3_767 ?
O00O Eu01 Eu01 132.71(8) . 3_766 ?
O00O Eu01 O004 83.56(11) . . ?
O00O Eu01 O006 147.90(10) . 1_554 ?
O00O Eu01 O00H 75.33(10) . 3_767 ?
O00O Eu01 O00L 80.50(11) . 3_767 ?
O00O Eu01 O00N 138.49(11) . 1_554 ?
O00O Eu01 C01Y 94.81(11) . 3_767 ?
C01Y Eu01 Eu01 56.82(7) 3_767 3_766 ?
O003 Eu02 Eu02 100.26(6) 3_665 3_666 ?
O003 Eu02 O005 52.90(8) 3_665 3_665 ?
O003 Eu02 O007 75.29(8) 3_665 3_666 ?
O003 Eu02 O007 122.32(8) 3_665 . ?
O003 Eu02 O00D 69.80(8) 3_665 . ?
O003 Eu02 C00Y 26.56(9) 3_665 3_665 ?
O005 Eu02 Eu02 67.73(5) 3_665 3_666 ?
O005 Eu02 O007 68.95(8) 3_665 3_666 ?
O005 Eu02 O007 73.75(8) 3_665 . ?
O005 Eu02 C00Y 26.83(9) 3_665 3_665 ?
O007 Eu02 Eu02 31.94(5) . 3_666 ?
O007 Eu02 Eu02 33.68(5) 3_666 3_666 ?
O007 Eu02 O007 65.62(9) 3_666 . ?
O007 Eu02 C00Y 66.27(9) 3_666 3_665 ?
O007 Eu02 C00Y 96.86(9) . 3_665 ?
O008 Eu02 Eu02 80.80(6) . 3_666 ?
O008 Eu02 O003 117.91(9) . 3_665 ?
O008 Eu02 O005 72.12(8) . 3_665 ?
O008 Eu02 O007 112.30(8) . 3_666 ?
O008 Eu02 O007 51.34(8) . . ?
O008 Eu02 O009 143.90(8) . . ?
O008 Eu02 O00D 71.90(9) . . ?
O008 Eu02 C00Y 97.09(10) . 3_665 ?
O009 Eu02 Eu02 134.41(6) . 3_666 ?
O009 Eu02 O003 70.23(8) . 3_665 ?
O009 Eu02 O005 122.91(8) . 3_665 ?
O009 Eu02 O007 103.79(8) . 3_666 ?
O009 Eu02 O007 157.20(8) . . ?
O009 Eu02 O00D 79.81(9) . . ?
O009 Eu02 C00Y 96.76(9) . 3_665 ?
O00C Eu02 Eu02 122.37(6) . 3_666 ?
O00C Eu02 O003 137.37(8) . 3_665 ?
O00C Eu02 O005 141.18(9) . 3_665 ?
O00C Eu02 O007 142.22(9) . 3_666 ?
O00C Eu02 O007 97.20(8) . . ?
O00C Eu02 O008 73.08(9) . . ?
O00C Eu02 O009 78.94(9) . . ?
O00C Eu02 O00D 76.47(9) . . ?
O00C Eu02 O00K 75.23(10) . . ?
O00C Eu02 C00Y 151.50(9) . 3_665 ?
O00D Eu02 Eu02 140.47(6) . 3_666 ?
O00D Eu02 O005 76.85(8) . 3_665 ?
O00D Eu02 O007 121.48(8) . . ?
O00D Eu02 O007 141.31(8) . 3_666 ?
O00D Eu02 C00Y 75.04(9) . 3_665 ?
O00K Eu02 Eu02 71.44(7) . 3_666 ?
O00K Eu02 O003 123.48(9) . 3_665 ?
O00K Eu02 O005 136.48(9) . 3_665 ?
O00K Eu02 O007 68.86(9) . 3_666 ?
O00K Eu02 O007 79.70(9) . . ?
O00K Eu02 O008 115.57(10) . . ?
O00K Eu02 O009 77.59(9) . . ?
O00K Eu02 O00D 146.54(9) . . ?
O00K Eu02 C00Y 131.83(10) . 3_665 ?
C00Y Eu02 Eu02 80.74(7) 3_665 3_666 ?
C00Y O003 Eu02 94.3(2) . 3_665 ?
C01D O004 Eu01 138.4(2) . . ?
C00Y O005 Eu02 89.7(2) . 3_665 ?
C015 O006 Eu01 137.5(2) . 1_556 ?
Eu02 O007 Eu02 114.38(9) 3_666 . ?
C010 O007 Eu02 87.9(2) . . ?
C010 O007 Eu02 145.2(2) . 3_666 ?
C010 O008 Eu02 99.8(2) . . ?
C01D O009 Eu02 138.4(2) . . ?
C012 O00B Eu01 163.0(2) . . ?
C012 O00C Eu02 145.6(2) . . ?
Eu02 O00D H00A 109.4 . . ?
Eu02 O00D H00B 109.4 . . ?
H00A O00D H00B 104.5 . . ?
C015 O00H Eu01 142.9(2) . 3_767 ?
Eu02 O00K H00C 120(3) . . ?
Eu02 O00K H00D 111(3) . . ?
H00C O00K H00D 108(4) . . ?
C01Y O00L Eu01 116.3(2) . 3_767 ?
C018 N00M H00M 119.2 . . ?
C02F N00M H00M 119.2 . . ?
C02F N00M C018 121.6(3) . . ?
C01Y O00N Eu01 166.3(3) . 1_556 ?
C03B O00O Eu01 161.4(3) . . ?
C017 N00P H00P 118.6 . . ?
C017 N00P C01B 122.7(3) . . ?
C01B N00P H00P 118.6 . . ?
C02H N00R H00R 119.8 . . ?
C02H N00R C02O 120.4(3) . . ?
C02O N00R H00R 119.8 . . ?
C01T N00S H00S 118.3 . . ?
C02E N00S H00S 118.3 . . ?
C02E N00S C01T 123.3(3) . . ?
C01O N00T H00T 119.6 . . ?
C01O N00T C023 120.8(3) . . ?
C023 N00T H00T 119.6 . . ?
C01U N00U H00U 118.1 . . ?
C02P N00U H00U 118.1 . . ?
C02P N00U C01U 123.9(3) . . ?
C8 O00W H00W 109.5 . . ?
C01A C00X C015 121.0(3) . . ?
C01A C00X C01E 119.1(3) . . ?
C01E C00X C015 119.9(3) . . ?
O003 C00Y Eu02 59.15(17) . 3_665 ?
O003 C00Y O005 120.9(3) . . ?
O003 C00Y C00Z 118.4(3) . . ?
O005 C00Y Eu02 63.47(17) . 3_665 ?
O005 C00Y C00Z 120.7(3) . . ?
C00Z C00Y Eu02 165.3(2) . 3_665 ?
C01C C00Z C00Y 118.9(3) . . ?
C01C C00Z C02B 119.9(3) . . ?
C02B C00Z C00Y 121.2(3) . . ?
O007 C010 C01J 121.1(3) . . ?
O008 C010 O007 120.9(3) . . ?
O008 C010 C01J 118.0(3) . . ?
H01B O011 H01D 104.5 . . ?
O00B C012 O00C 125.5(3) . . ?
O00B C012 C01H 117.7(3) . . ?
O00C C012 C01H 116.9(3) . . ?
C01K C013 C01Y 120.7(3) . . ?
C01K C013 C02D 118.2(3) . . ?
C02D C013 C01Y 121.0(3) . . ?
C034 N014 C037 118.8(4) . . ?
C034 N014 C03A 123.0(4) . . ?
C03A N014 C037 118.1(4) . . ?
O006 C015 C00X 117.1(3) . . ?
O00H C015 O006 125.6(3) . . ?
O00H C015 C00X 117.3(3) . . ?
C018 C016 H016 119.4 . . ?
C018 C016 C01W 121.3(3) . . ?
C01W C016 H016 119.4 . . ?
O00A C017 N00P 124.0(3) . . ?
O00A C017 C019 121.3(3) . . ?
N00P C017 C019 114.7(3) . . ?
C016 C018 N00M 119.6(3) . . ?
C016 C018 C01B 119.9(3) . . ?
C01B C018 N00M 120.5(3) . . ?
C01Q C019 C017 119.3(3) . . ?
C01Q C019 C021 119.2(3) . . ?
C021 C019 C017 121.4(3) . . ?
C00X C01A H01A 119.4 . . ?
C021 C01A C00X 121.3(3) . . ?
C021 C01A H01A 119.4 . . ?
N00P C01B C018 119.7(3) . . ?
C01I C01B N00P 120.1(3) . . ?
C01I C01B C018 120.1(3) . . ?
C00Z C01C H01C 119.6 . . ?
C01X C01C C00Z 120.8(3) . . ?
C01X C01C H01C 119.6 . . ?
O004 C01D C01G 116.4(3) . . ?
O009 C01D O004 124.9(3) . . ?
O009 C01D C01G 118.7(3) . . ?
C00X C01E H01E 120.0 . . ?
C01Q C01E C00X 119.9(3) . . ?
C01Q C01E H01E 120.0 . . ?
C01S C01F H01F 120.0 . . ?
C01Z C01F H01F 120.0 . . ?
C01Z C01F C01S 119.9(3) . . ?
C01Z C01G C01D 121.0(3) . . ?
C01Z C01G C028 118.6(3) . . ?
C028 C01G C01D 120.4(3) . . ?
C01R C01H C012 119.9(3) . . ?
C01R C01H C022 119.3(3) . . ?
C022 C01H C012 120.7(3) . . ?
C01B C01I H01I 119.5 . . ?
C01B C01I C01N 121.0(3) . . ?
C01N C01I H01I 119.5 . . ?
C02G C01J C010 122.4(3) . . ?
C02G C01J C02L 119.6(3) . . ?
C02L C01J C010 117.8(3) . . ?
C013 C01K H01K 119.1 . . ?
C025 C01K C013 121.7(3) . . ?
C025 C01K H01K 119.1 . . ?
C029 C01L C01O 117.8(3) . . ?
C029 C01L C02A 119.7(3) . . ?
C02A C01L C01O 122.4(3) . . ?
C01P C01M H01M 119.8 . . ?
C022 C01M H01M 119.8 . . ?
C022 C01M C01P 120.4(3) . . ?
C01I C01N C01W 119.1(3) . . ?
C01I C01N C02U 122.5(3) . . ?
C02U C01N C01W 118.4(3) . . ?
O00G C01O N00T 121.6(3) . . ?
O00G C01O C01L 121.8(3) . . ?
N00T C01O C01L 116.6(3) . . ?
C01M C01P C02F 123.3(3) . . ?
C02Q C01P C01M 118.7(3) . . ?
C02Q C01P C02F 117.9(3) . . ?
C019 C01Q H01Q 119.6 . . ?
C01E C01Q C019 120.8(3) . . ?
C01E C01Q H01Q 119.6 . . ?
C01H C01R H01R 119.8 . . ?
C01H C01R C02Q 120.5(3) . . ?
C02Q C01R H01R 119.8 . . ?
C01F C01S C02E 119.0(3) . . ?
C01F C01S C02M 119.8(3) . . ?
C02M C01S C02E 121.1(3) . . ?
N00S C01T C01U 120.3(3) . . ?
C026 C01T N00S 119.4(3) . . ?
C026 C01T C01U 120.3(3) . . ?
N00U C01U C01T 120.8(3) . . ?
C02N C01U N00U 119.9(3) . . ?
C02N C01U C01T 119.2(3) . . ?
C01X C01V C02H 120.3(3) . . ?
C01X C01V C02W 120.4(3) . . ?
C02W C01V C02H 119.2(3) . . ?
C016 C01W C01N 118.6(3) . . ?
C02I C01W C016 122.4(3) . . ?
C02I C01W C01N 118.9(3) . . ?
C01C C01X C01V 119.5(3) . . ?
C01C C01X H01X 120.3 . . ?
C01V C01X H01X 120.3 . . ?
O00L C01Y Eu01 42.72(17) . 3_767 ?
O00L C01Y C013 116.8(3) . . ?
O00N C01Y Eu01 79.9(2) . 3_767 ?
O00N C01Y O00L 122.6(3) . . ?
O00N C01Y C013 120.6(3) . . ?
C013 C01Y Eu01 159.5(3) . 3_767 ?
C01F C01Z C01G 121.0(3) . . ?
C01F C01Z H01Z 119.5 . . ?
C01G C01Z H01Z 119.5 . . ?
C024 C020 C027 118.4(3) . . ?
C031 C020 C024 122.2(3) . . ?
C031 C020 C027 119.4(3) . . ?
C019 C021 H021 120.2 . . ?
C01A C021 C019 119.7(3) . . ?
C01A C021 H021 120.2 . . ?
C01H C022 H022 119.7 . . ?
C01M C022 C01H 120.6(3) . . ?
C01M C022 H022 119.7 . . ?
N00T C023 C02O 119.8(3) . . ?
C024 C023 N00T 120.5(3) . . ?
C024 C023 C02O 119.7(3) . . ?
C020 C024 H024 119.2 . . ?
C023 C024 C020 121.6(3) . . ?
C023 C024 H024 119.2 . . ?
C01K C025 H025 120.1 . . ?
C01K C025 C02S 119.8(3) . . ?
C02S C025 H025 120.1 . . ?
C01T C026 H026 119.3 . . ?
C01T C026 C02C 121.4(3) . . ?
C02C C026 H026 119.3 . . ?
C02R C027 C020 118.9(3) . . ?
C02R C027 C036 122.6(3) . . ?
C036 C027 C020 118.5(3) . . ?
C01G C028 H028 119.6 . . ?
C02M C028 C01G 120.9(3) . . ?
C02M C028 H028 119.6 . . ?
C01L C029 H029 119.9 . . ?
C02G C029 C01L 120.2(3) . . ?
C02G C029 H029 119.9 . . ?
C01L C02A H02A 120.1 . . ?
C02L C02A C01L 119.9(3) . . ?
C02L C02A H02A 120.1 . . ?
C00Z C02B H02B 120.2 . . ?
C02W C02B C00Z 119.6(3) . . ?
C02W C02B H02B 120.2 . . ?
C026 C02C C02T 118.4(3) . . ?
C026 C02C C02Z 122.2(3) . . ?
C02Z C02C C02T 119.3(3) . . ?
C013 C02D H02D 119.7 . . ?
C02V C02D C013 120.7(3) . . ?
C02V C02D H02D 119.7 . . ?
O00E C02E N00S 122.3(3) . . ?
O00E C02E C01S 121.7(3) . . ?
N00S C02E C01S 116.0(3) . . ?
O00F C02F N00M 121.7(3) . . ?
O00F C02F C01P 121.3(3) . . ?
N00M C02F C01P 116.9(3) . . ?
C01J C02G H02G 120.1 . . ?
C029 C02G C01J 119.8(3) . . ?
C029 C02G H02G 120.1 . . ?
O00I C02H N00R 122.6(3) . . ?
O00I C02H C01V 121.2(3) . . ?
N00R C02H C01V 116.2(3) . . ?
C01W C02I H02I 119.5 . . ?
C02K C02I C01W 121.0(4) . . ?
C02K C02I H02I 119.5 . . ?
C033 N02J C03G 120.5(4) . . ?
C033 N02J C03H 123.5(4) . . ?
C03G N02J C03H 115.6(4) . . ?
C02I C02K H02K 119.9 . . ?
C02I C02K C035 120.3(3) . . ?
C035 C02K H02K 119.9 . . ?
C01J C02L H02L 119.7 . . ?
C02A C02L C01J 120.5(3) . . ?
C02A C02L H02L 119.7 . . ?
C01S C02M H02M 120.1 . . ?
C028 C02M C01S 119.8(3) . . ?
C028 C02M H02M 120.1 . . ?
C01U C02N H02N 119.3 . . ?
C01U C02N C02T 121.4(3) . . ?
C02T C02N H02N 119.3 . . ?
N00R C02O C023 119.1(3) . . ?
C02R C02O N00R 120.6(3) . . ?
C02R C02O C023 120.2(3) . . ?
O00J C02P N00U 124.0(3) . . ?
O00J C02P C02S 121.4(3) . . ?
N00U C02P C02S 114.6(3) . . ?
C01P C02Q H02Q 119.8 . . ?
C01R C02Q C01P 120.4(3) . . ?
C01R C02Q H02Q 119.8 . . ?
C027 C02R H02R 119.5 . . ?
C02O C02R C027 121.0(3) . . ?
C02O C02R H02R 119.5 . . ?
C025 C02S C02P 121.4(3) . . ?
C025 C02S C02V 119.2(3) . . ?
C02V C02S C02P 119.3(3) . . ?
C02N C02T C02C 119.2(3) . . ?
C02N C02T C032 122.6(3) . . ?
C032 C02T C02C 118.2(3) . . ?
C01N C02U H02U 119.4 . . ?
C035 C02U C01N 121.2(4) . . ?
C035 C02U H02U 119.4 . . ?
C02D C02V C02S 120.3(3) . . ?
C02D C02V H02V 119.8 . . ?
C02S C02V H02V 119.8 . . ?
C01V C02W H02W 120.2 . . ?
C02B C02W C01V 119.7(3) . . ?
C02B C02W H02W 120.2 . . ?
C02Y C02X H02X 119.9 . . ?
C032 C02X H02X 119.9 . . ?
C032 C02X C02Y 120.2(4) . . ?
C02X C02Y H02Y 119.8 . . ?
C02Z C02Y C02X 120.4(4) . . ?
C02Z C02Y H02Y 119.8 . . ?
C02C C02Z H02Z 119.7 . . ?
C02Y C02Z C02C 120.7(4) . . ?
C02Y C02Z H02Z 119.7 . . ?
C036 C030 H030 119.5 . . ?
C036 C030 C038 121.1(4) . . ?
C038 C030 H030 119.5 . . ?
C020 C031 H031 119.7 . . ?
C038 C031 C020 120.6(4) . . ?
C038 C031 H031 119.7 . . ?
C02T C032 H032 119.4 . . ?
C02X C032 C02T 121.2(4) . . ?
C02X C032 H032 119.4 . . ?
O00V C033 N02J 121.5(4) . . ?
O00V C033 C03E 120.2(4) . . ?
N02J C033 C03E 118.3(4) . . ?
O00Q C034 N014 119.0(5) . . ?
O00Q C034 C03C 123.1(5) . . ?
N014 C034 C03C 117.9(5) . . ?
C02K C035 H035 119.9 . . ?
C02U C035 C02K 120.2(3) . . ?
C02U C035 H035 119.9 . . ?
C027 C036 H036 120.0 . . ?
C030 C036 C027 120.1(4) . . ?
C030 C036 H036 120.0 . . ?
N014 C037 H03J 109.5 . . ?
N014 C037 H03K 109.5 . . ?
N014 C037 H03L 109.5 . . ?
H03J C037 H03K 109.5 . . ?
H03J C037 H03L 109.5 . . ?
H03K C037 H03L 109.5 . . ?
C030 C038 H038 119.9 . . ?
C031 C038 C030 120.3(4) . . ?
C031 C038 H038 119.9 . . ?
C03B N039 C03D 118.7(5) . . ?
C03B N039 C03K 121.9(7) . . ?
C03K N039 C03D 119.4(6) . . ?
N014 C03A H03M 109.5 . . ?
N014 C03A H03N 109.5 . . ?
N014 C03A H03O 109.5 . . ?
H03M C03A H03N 109.5 . . ?
H03M C03A H03O 109.5 . . ?
H03N C03A H03O 109.5 . . ?
O00O C03B N039 120.9(6) . . ?
O00O C03B C03F 121.7(5) . . ?
N039 C03B C03F 117.4(6) . . ?
C034 C03C H03P 109.5 . . ?
C034 C03C H03Q 109.5 . . ?
C034 C03C H03R 109.5 . . ?
H03P C03C H03Q 109.5 . . ?
H03P C03C H03R 109.5 . . ?
H03Q C03C H03R 109.5 . . ?
N039 C03D H03A 109.5 . . ?
N039 C03D H03B 109.5 . . ?
N039 C03D H03C 109.5 . . ?
H03A C03D H03B 109.5 . . ?
H03A C03D H03C 109.5 . . ?
H03B C03D H03C 109.5 . . ?
C033 C03E H03S 109.5 . . ?
C033 C03E H03T 109.5 . . ?
C033 C03E H03U 109.5 . . ?
H03S C03E H03T 109.5 . . ?
H03S C03E H03U 109.5 . . ?
H03T C03E H03U 109.5 . . ?
C03B C03F H03D 109.5 . . ?
C03B C03F H03E 109.5 . . ?
C03B C03F H03F 109.5 . . ?
H03D C03F H03E 109.5 . . ?
H03D C03F H03F 109.5 . . ?
H03E C03F H03F 109.5 . . ?
N02J C03G H03V 109.5 . . ?
N02J C03G H03W 109.5 . . ?
N02J C03G H03X 109.5 . . ?
H03V C03G H03W 109.5 . . ?
H03V C03G H03X 109.5 . . ?
H03W C03G H03X 109.5 . . ?
N02J C03H H03Y 109.5 . . ?
N02J C03H H 109.5 . . ?
N02J C03H HA 109.5 . . ?
H03Y C03H H 109.5 . . ?
H03Y C03H HA 109.5 . . ?
H C03H HA 109.5 . . ?
N039 C03K H03G 109.5 . . ?
N039 C03K H03H 109.5 . . ?
N039 C03K H03I 109.5 . . ?
H03G C03K H03H 109.5 . . ?
H03G C03K H03I 109.5 . . ?
H03H C03K H03I 109.5 . . ?
O00W C6 H6A 109.5 . . ?
O00W C6 H6B 109.5 . . ?
O00W C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O00W C8 H8A 109.5 . . ?
O00W C8 H8B 109.5 . . ?
O00W C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu01 O004 C01D O009 -80.6(5) . . . . ?
Eu01 O004 C01D C01G 101.7(4) . . . . ?
Eu01 O006 C015 O00H -22.2(6) 1_556 . . . ?
Eu01 O006 C015 C00X 157.3(2) 1_556 . . . ?
Eu01 O00B C012 O00C -50.5(10) . . . . ?
Eu01 O00B C012 C01H 130.1(7) . . . . ?
Eu01 O00H C015 O006 11.0(7) 3_767 . . . ?
Eu01 O00H C015 C00X -168.5(3) 3_767 . . . ?
Eu01 O00L C01Y O00N -2.1(5) 3_767 . . . ?
Eu01 O00L C01Y C013 179.3(2) 3_767 . . . ?
Eu01 O00N C01Y Eu01 62.7(12) 1_556 . . 3_767 ?
Eu01 O00N C01Y O00L 64.1(13) 1_556 . . . ?
Eu01 O00N C01Y C013 -117.3(11) 1_556 . . . ?
Eu01 O00O C03B N039 107.9(11) . . . . ?
Eu01 O00O C03B C03F -70.7(14) . . . . ?
Eu02 O003 C00Y O005 15.6(3) 3_665 . . . ?
Eu02 O003 C00Y C00Z -163.3(3) 3_665 . . . ?
Eu02 O005 C00Y O003 -15.0(3) 3_665 . . . ?
Eu02 O005 C00Y C00Z 163.9(3) 3_665 . . . ?
Eu02 O007 C010 O008 2.3(3) . . . . ?
Eu02 O007 C010 O008 134.5(3) 3_666 . . . ?
Eu02 O007 C010 C01J -179.6(3) . . . . ?
Eu02 O007 C010 C01J -47.4(5) 3_666 . . . ?
Eu02 O008 C010 O007 -2.6(4) . . . . ?
Eu02 O008 C010 C01J 179.3(3) . . . . ?
Eu02 O009 C01D O004 -27.4(6) . . . . ?
Eu02 O009 C01D C01G 150.3(3) . . . . ?
Eu02 O00C C012 O00B -13.1(7) . . . . ?
Eu02 O00C C012 C01H 166.2(3) . . . . ?
Eu02 C00Y C00Z C01C -73.9(10) 3_665 . . . ?
Eu02 C00Y C00Z C02B 105.8(10) 3_665 . . . ?
O003 C00Y C00Z C01C 2.5(5) . . . . ?
O003 C00Y C00Z C02B -177.9(3) . . . . ?
O004 C01D C01G C01Z 9.2(5) . . . . ?
O004 C01D C01G C028 -173.4(3) . . . . ?
O005 C00Y C00Z C01C -176.5(3) . . . . ?
O005 C00Y C00Z C02B 3.2(5) . . . . ?
O007 C010 C01J C02G -19.9(5) . . . . ?
O007 C010 C01J C02L 165.2(3) . . . . ?
O008 C010 C01J C02G 158.2(3) . . . . ?
O008 C010 C01J C02L -16.7(5) . . . . ?
O009 C01D C01G C01Z -168.6(3) . . . . ?
O009 C01D C01G C028 8.8(5) . . . . ?
O00A C017 C019 C01Q 31.0(5) . . . . ?
O00A C017 C019 C021 -145.6(4) . . . . ?
O00B C012 C01H C01R -3.6(5) . . . . ?
O00B C012 C01H C022 175.5(3) . . . . ?
O00C C012 C01H C01R 177.0(3) . . . . ?
O00C C012 C01H C022 -3.9(5) . . . . ?
O00J C02P C02S C025 140.8(4) . . . . ?
O00J C02P C02S C02V -35.8(6) . . . . ?
N00M C018 C01B N00P -1.2(5) . . . . ?
N00M C018 C01B C01I -177.0(3) . . . . ?
N00P C017 C019 C01Q -149.4(3) . . . . ?
N00P C017 C019 C021 33.9(5) . . . . ?
N00P C01B C01I C01N -175.6(3) . . . . ?
N00R C02O C02R C027 176.6(3) . . . . ?
N00S C01T C01U N00U 1.1(5) . . . . ?
N00S C01T C01U C02N 176.5(3) . . . . ?
N00S C01T C026 C02C -175.2(3) . . . . ?
N00T C023 C024 C020 -179.4(3) . . . . ?
N00T C023 C02O N00R 2.4(5) . . . . ?
N00T C023 C02O C02R -179.2(3) . . . . ?
N00U C01U C02N C02T 175.2(3) . . . . ?
N00U C02P C02S C025 -37.6(5) . . . . ?
N00U C02P C02S C02V 145.9(4) . . . . ?
C00X C01A C021 C019 1.2(6) . . . . ?
C00X C01E C01Q C019 1.6(5) . . . . ?
C00Y C00Z C01C C01X -176.7(3) . . . . ?
C00Y C00Z C02B C02W 179.6(3) . . . . ?
C00Z C01C C01X C01V -2.9(5) . . . . ?
C00Z C02B C02W C01V -2.7(6) . . . . ?
C010 C01J C02G C029 -170.5(3) . . . . ?
C010 C01J C02L C02A 171.3(3) . . . . ?
C012 C01H C01R C02Q 179.7(4) . . . . ?
C012 C01H C022 C01M -179.9(3) . . . . ?
C013 C01K C025 C02S -1.2(6) . . . . ?
C013 C02D C02V C02S -2.7(7) . . . . ?
C015 C00X C01A C021 -179.7(3) . . . . ?
C015 C00X C01E C01Q 178.3(3) . . . . ?
C016 C018 C01B N00P 178.0(3) . . . . ?
C016 C018 C01B C01I 2.2(5) . . . . ?
C016 C01W C02I C02K 176.7(3) . . . . ?
C017 N00P C01B C018 61.5(4) . . . . ?
C017 N00P C01B C01I -122.7(4) . . . . ?
C017 C019 C01Q C01E -177.1(3) . . . . ?
C017 C019 C021 C01A 175.6(3) . . . . ?
C018 N00M C02F O00F -2.3(5) . . . . ?
C018 N00M C02F C01P 175.5(3) . . . . ?
C018 C016 C01W C01N 1.7(5) . . . . ?
C018 C016 C01W C02I -175.2(3) . . . . ?
C018 C01B C01I C01N 0.2(5) . . . . ?
C01A C00X C015 O006 -170.7(3) . . . . ?
C01A C00X C015 O00H 8.9(5) . . . . ?
C01A C00X C01E C01Q -1.5(5) . . . . ?
C01B N00P C017 O00A 7.4(5) . . . . ?
C01B N00P C017 C019 -172.2(3) . . . . ?
C01B C01I C01N C01W -1.6(5) . . . . ?
C01B C01I C01N C02U 177.3(3) . . . . ?
C01C C00Z C02B C02W -0.8(6) . . . . ?
C01D C01G C01Z C01F 176.3(3) . . . . ?
C01D C01G C028 C02M -176.1(3) . . . . ?
C01E C00X C015 O006 9.5(5) . . . . ?
C01E C00X C015 O00H -170.9(3) . . . . ?
C01E C00X C01A C021 0.1(5) . . . . ?
C01F C01S C02E O00E -31.2(5) . . . . ?
C01F C01S C02E N00S 146.3(3) . . . . ?
C01F C01S C02M C028 -2.2(6) . . . . ?
C01G C028 C02M C01S 0.3(6) . . . . ?
C01H C01R C02Q C01P 0.6(6) . . . . ?
C01I C01N C01W C016 0.7(5) . . . . ?
C01I C01N C01W C02I 177.7(3) . . . . ?
C01I C01N C02U C035 -177.1(3) . . . . ?
C01K C013 C01Y Eu01 -15.6(9) . . . 3_767 ?
C01K C013 C01Y O00L -17.0(5) . . . . ?
C01K C013 C01Y O00N 164.4(4) . . . . ?
C01K C013 C02D C02V 1.8(6) . . . . ?
C01K C025 C02S C02P -176.2(3) . . . . ?
C01K C025 C02S C02V 0.3(6) . . . . ?
C01L C029 C02G C01J -0.2(6) . . . . ?
C01L C02A C02L C01J -1.0(6) . . . . ?
C01M C01P C02F O00F 162.1(4) . . . . ?
C01M C01P C02F N00M -15.7(5) . . . . ?
C01M C01P C02Q C01R -1.4(6) . . . . ?
C01N C01W C02I C02K -0.2(5) . . . . ?
C01N C02U C035 C02K -0.9(5) . . . . ?
C01O N00T C023 C024 -111.9(4) . . . . ?
C01O N00T C023 C02O 69.4(4) . . . . ?
C01O C01L C029 C02G 173.4(3) . . . . ?
C01O C01L C02A C02L -172.7(3) . . . . ?
C01P C01M C022 C01H -0.1(6) . . . . ?
C01Q C019 C021 C01A -1.1(5) . . . . ?
C01R C01H C022 C01M -0.8(6) . . . . ?
C01S C01F C01Z C01G -0.8(6) . . . . ?
C01T N00S C02E O00E -1.3(6) . . . . ?
C01T N00S C02E C01S -178.8(3) . . . . ?
C01T C01U C02N C02T -0.2(5) . . . . ?
C01T C026 C02C C02T -2.4(5) . . . . ?
C01T C026 C02C C02Z 175.0(3) . . . . ?
C01U N00U C02P O00J -9.1(6) . . . . ?
C01U N00U C02P C02S 169.2(3) . . . . ?
C01U C01T C026 C02C 4.2(5) . . . . ?
C01U C02N C02T C02C 2.0(5) . . . . ?
C01U C02N C02T C032 -176.8(3) . . . . ?
C01W C016 C018 N00M 176.0(3) . . . . ?
C01W C016 C018 C01B -3.1(5) . . . . ?
C01W C01N C02U C035 1.8(5) . . . . ?
C01W C02I C02K C035 1.1(5) . . . . ?
C01X C01V C02H O00I 129.0(4) . . . . ?
C01X C01V C02H N00R -50.4(5) . . . . ?
C01X C01V C02W C02B 3.4(6) . . . . ?
C01Y C013 C01K C025 177.2(3) . . . . ?
C01Y C013 C02D C02V -175.3(4) . . . . ?
C01Z C01F C01S C02E -176.0(3) . . . . ?
C01Z C01F C01S C02M 2.5(6) . . . . ?
C01Z C01G C028 C02M 1.3(6) . . . . ?
C020 C027 C02R C02O -0.1(5) . . . . ?
C020 C027 C036 C030 -1.5(5) . . . . ?
C020 C031 C038 C030 -2.8(6) . . . . ?
C021 C019 C01Q C01E -0.3(5) . . . . ?
C022 C01H C01R C02Q 0.5(6) . . . . ?
C022 C01M C01P C02F -176.9(3) . . . . ?
C022 C01M C01P C02Q 1.2(6) . . . . ?
C023 N00T C01O O00G 4.1(5) . . . . ?
C023 N00T C01O C01L -178.4(3) . . . . ?
C023 C02O C02R C027 -1.7(5) . . . . ?
C024 C020 C027 C02R 1.5(5) . . . . ?
C024 C020 C027 C036 179.8(3) . . . . ?
C024 C020 C031 C038 -177.7(3) . . . . ?
C024 C023 C02O N00R -176.3(3) . . . . ?
C024 C023 C02O C02R 2.1(5) . . . . ?
C025 C02S C02V C02D 1.6(6) . . . . ?
C026 C01T C01U N00U -178.3(3) . . . . ?
C026 C01T C01U C02N -2.9(5) . . . . ?
C026 C02C C02T C02N -0.7(5) . . . . ?
C026 C02C C02T C032 178.1(3) . . . . ?
C026 C02C C02Z C02Y -176.6(4) . . . . ?
C027 C020 C024 C023 -1.1(5) . . . . ?
C027 C020 C031 C038 2.2(5) . . . . ?
C028 C01G C01Z C01F -1.1(6) . . . . ?
C029 C01L C01O O00G 27.0(5) . . . . ?
C029 C01L C01O N00T -150.5(3) . . . . ?
C029 C01L C02A C02L 5.1(5) . . . . ?
C02A C01L C01O O00G -155.2(4) . . . . ?
C02A C01L C01O N00T 27.3(5) . . . . ?
C02A C01L C029 C02G -4.5(5) . . . . ?
C02B C00Z C01C C01X 3.6(5) . . . . ?
C02C C02T C032 C02X -1.5(5) . . . . ?
C02D C013 C01K C025 0.1(6) . . . . ?
C02D C013 C01Y Eu01 161.5(5) . . . 3_767 ?
C02D C013 C01Y O00L 160.1(4) . . . . ?
C02D C013 C01Y O00N -18.6(6) . . . . ?
C02E N00S C01T C01U -65.6(5) . . . . ?
C02E N00S C01T C026 113.9(4) . . . . ?
C02E C01S C02M C028 176.2(3) . . . . ?
C02F N00M C018 C016 -106.6(4) . . . . ?
C02F N00M C018 C01B 72.6(4) . . . . ?
C02F C01P C02Q C01R 176.8(4) . . . . ?
C02G C01J C02L C02A -3.7(5) . . . . ?
C02H N00R C02O C023 61.5(4) . . . . ?
C02H N00R C02O C02R -116.9(4) . . . . ?
C02H C01V C01X C01C -176.5(3) . . . . ?
C02H C01V C02W C02B 179.4(3) . . . . ?
C02I C02K C035 C02U -0.5(6) . . . . ?
C02L C01J C02G C029 4.3(5) . . . . ?
C02M C01S C02E O00E 150.3(4) . . . . ?
C02M C01S C02E N00S -32.1(5) . . . . ?
C02N C02T C032 C02X 177.4(4) . . . . ?
C02O N00R C02H O00I -1.4(6) . . . . ?
C02O N00R C02H C01V 178.0(3) . . . . ?
C02O C023 C024 C020 -0.7(5) . . . . ?
C02P N00U C01U C01T -54.8(5) . . . . ?
C02P N00U C01U C02N 129.9(4) . . . . ?
C02P C02S C02V C02D 178.2(4) . . . . ?
C02Q C01P C02F O00F -16.0(5) . . . . ?
C02Q C01P C02F N00M 166.2(3) . . . . ?
C02R C027 C036 C030 176.8(3) . . . . ?
C02T C02C C02Z C02Y 0.7(5) . . . . ?
C02U C01N C01W C016 -178.2(3) . . . . ?
C02U C01N C01W C02I -1.2(5) . . . . ?
C02W C01V C01X C01C -0.6(5) . . . . ?
C02W C01V C02H O00I -46.9(5) . . . . ?
C02W C01V C02H N00R 133.6(4) . . . . ?
C02X C02Y C02Z C02C -1.3(6) . . . . ?
C02Y C02X C032 C02T 0.9(6) . . . . ?
C02Z C02C C02T C02N -178.2(3) . . . . ?
C02Z C02C C02T C032 0.6(5) . . . . ?
C031 C020 C024 C023 178.8(3) . . . . ?
C031 C020 C027 C02R -178.4(3) . . . . ?
C031 C020 C027 C036 0.0(5) . . . . ?
C032 C02X C02Y C02Z 0.5(6) . . . . ?
C036 C027 C02R C02O -178.3(3) . . . . ?
C036 C030 C038 C031 1.2(6) . . . . ?
C037 N014 C034 O00Q 0.3(7) . . . . ?
C037 N014 C034 C03C -178.4(5) . . . . ?
C038 C030 C036 C027 1.0(6) . . . . ?
C03A N014 C034 O00Q 177.5(4) . . . . ?
C03A N014 C034 C03C -1.2(7) . . . . ?
C03D N039 C03B O00O 4.7(9) . . . . ?
C03D N039 C03B C03F -176.7(5) . . . . ?
C03G N02J C033 O00V 0.0(6) . . . . ?
C03G N02J C033 C03E 179.1(4) . . . . ?
C03H N02J C033 O00V -172.3(4) . . . . ?
C03H N02J C033 C03E 6.8(7) . . . . ?
C03K N039 C03B O00O -175.5(6) . . . . ?
C03K N039 C03B C03F 3.1(10) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.026 0.148 0.053 135.4 20.1 ?
2 -0.026 0.352 0.553 135.4 25.5 ?
3 0.026 0.648 0.447 135.4 20.5 ?
4 0.026 0.852 0.947 135.4 25.9 ?
5 0.332 0.075 0.428 37.6 0.0 ?
6 0.332 0.425 0.928 37.6 0.0 ?
7 0.287 0.112 0.972 7.2 0.0 ?
8 0.287 0.388 0.472 7.2 0.0 ?
9 0.392 0.610 0.472 29.7 0.0 ?
10 0.392 0.890 0.972 29.7 0.0 ?
11 0.608 0.110 0.028 29.7 0.0 ?
12 0.608 0.390 0.528 29.7 0.0 ?
13 0.668 0.575 0.072 37.6 0.0 ?
14 0.668 0.925 0.572 37.6 0.0 ?
15 0.713 0.612 0.528 7.2 0.0 ?
16 0.713 0.888 0.028 7.2 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.181
_oxdiff_exptl_absorpt_empirical_full_min 0.685
