# Electronic Supplementary Material (ESI) for Materials Horizons.
# This journal is © The Royal Society of Chemistry 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. 
# 
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data_1
_audit_block_doi                 10.5517/ccdc.csd.cc28c910
_database_code_depnum_ccdc_archive 'CCDC 2096221'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1002/smtd.202200421 2022
loop_
_audit_author_name
_audit_author_address
'Chang-Feng Wang'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2022-03-11 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2021-01-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.33(C192 H384 Eu12 N96 O240 Rb12)'
_chemical_formula_sum            'C64 H128 Eu4 N32 O80 Rb4'
_chemical_formula_weight         3575.73
_chemical_absolute_configuration R
_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'
Rb Rb -0.9393 2.9676 '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      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   20.3362(5)
_cell_length_b                   20.3362(5)
_cell_length_c                   24.9333(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     8930.0(5)
_cell_formula_units_Z            2.99997
_cell_measurement_reflns_used    16157
_cell_measurement_temperature    253
_cell_measurement_theta_max      28.5320
_cell_measurement_theta_min      1.9920
_shelx_estimated_absorpt_T_max   0.579
_shelx_estimated_absorpt_T_min   0.486
_exptl_absorpt_coefficient_mu    3.831
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.22081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_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    1.995
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5328
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_unetI/netI     0.0701
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            26527
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.001
_diffrn_ambient_temperature      253
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          
;
_diffrn_ambient_temperature 253 
_diffrn_ambient_environment N₂
_diffrn_source 'micro-focus sealed X-ray tube'
_diffrn_source_type 'Mova (Mo) X-ray Source'
_diffrn_radiation_probe x-ray
_diffrn_radiation_type 'Mo Kα'
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_monochromator mirror
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'XtaLAB Synergy R, HyPix'
_diffrn_detector 'CCD plate'
_diffrn_detector_type HyPix
_diffrn_detector_area_resol_mean 10.0000
_diffrn_reflns_number 28960
_diffrn_reflns_av_R_equivalents 0.2042
_diffrn_reflns_av_sigmaI/netI 0.0470
;
_reflns_Friedel_coverage         0.975
_reflns_Friedel_fraction_full    0.986
_reflns_Friedel_fraction_max     0.974
_reflns_number_gt                8125
_reflns_number_total             8986
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.658
_refine_diff_density_min         -3.339
_refine_diff_density_rms         0.200
_refine_ls_abs_structure_details 
;
 Flack x determined using 3007 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.150(10)
_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     603
_refine_ls_number_reflns         8986
_refine_ls_number_restraints     265
_refine_ls_R_factor_all          0.1074
_refine_ls_R_factor_gt           0.0967
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0097P)²+579.7079P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1839
_refine_ls_wR_factor_ref         0.1875
_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 C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C26) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C29)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq,
Uanis(C35) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(O61) \\sim Ueq, Uanis(O60)
\\sim Ueq, Uanis(O62) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C3AA) \\sim Ueq,
Uanis(C1AA) \\sim Ueq, Uanis(O38) \\sim Ueq, Uanis(O57) \\sim Ueq, Uanis(O59)
\\sim Ueq, Uanis(O2AA) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(O22) \\sim Ueq, Uanis(N0AA) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(O9)
\\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(O16) \\sim Ueq,
Uanis(O13) \\sim Ueq, Uanis(O32) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(O10)
\\sim Ueq, Uanis(N8) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(O2) \\sim Ueq,
Uanis(O14) \\sim Ueq, Uanis(O31) \\sim Ueq, Uanis(N12) \\sim Ueq, Uanis(O58)
\\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(N7) \\sim Ueq, Uanis(O12) \\sim Ueq,
Uanis(N6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C14) \\sim Ueq, Uanis(O35) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3. Others
 Fixed Sof: O35(0.33333) O38(0.33333) O57(0.33333) O2AA(0.33333) H13A(0.33333)
 H13B(0.33333) H13C(0.33333) O59(0.33333) O62(0.33333) O61(0.33333) O60(0.33333)
4.a Ternary CH refined with riding coordinates:
 C1(H1), C2(H2)
4.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C7(H7A,H7B), C12(H12A,H12B), C14(H14A,H14B)
4.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_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
Eu00 Eu 0.47187(6) -0.01426(7) 0.59858(5) 0.0442(3) Uani 1 1 d . . . . .
Eu02 Eu 0.000000 0.000000 0.56971(7) 0.0342(4) Uani 1 3 d S T P . .
Rb1 Rb 0.666667 0.333333 0.4457(2) 0.094(2) Uani 1 3 d S T P . .
Rb2 Rb 0.15379(16) -0.19419(11) 0.41729(16) 0.0651(7) Uani 1 1 d . . . . .
O1 O 0.0777(13) -0.0096(13) 0.4911(9) 0.057(6) Uani 1 1 d . . . . .
O0AA O -0.1111(14) -0.1288(13) 0.5981(9) 0.074(7) Uani 1 1 d . . . . .
O30 O 0.0893(17) 0.0749(18) 0.6490(11) 0.086(9) Uani 1 1 d . . . . .
O4 O 0.6079(11) 0.0273(10) 0.6320(8) 0.048(5) Uani 1 1 d . U . . .
O5 O 0.5546(11) -0.0245(11) 0.5220(7) 0.046(4) Uani 1 1 d . U . . .
N12 N 0.4045(17) -0.1477(18) 0.6729(12) 0.064(8) Uani 1 1 d . U . . .
O7 O 0.3373(13) -0.0477(12) 0.5658(9) 0.061(6) Uani 1 1 d . U . . .
O8 O 0.3918(14) -0.0024(15) 0.6744(10) 0.072(6) Uani 1 1 d . U . . .
O9 O 0.3931(11) -0.1008(12) 0.5217(8) 0.054(5) Uani 1 1 d . U . . .
O10 O 0.5750(11) 0.1177(10) 0.5612(8) 0.049(5) Uani 1 1 d . U . . .
O11 O 0.1136(11) 0.1282(12) 0.5405(8) 0.051(5) Uani 1 1 d . . . . .
O12 O 0.4388(12) 0.0886(11) 0.6168(8) 0.056(5) Uani 1 1 d . U . . .
O13 O 0.4738(11) 0.0607(11) 0.5138(8) 0.053(5) Uani 1 1 d . U . . .
O14 O 0.5547(12) 0.0732(13) 0.6741(9) 0.063(6) Uani 1 1 d . U . . .
O31 O 0.4714(13) -0.0851(14) 0.6835(9) 0.067(6) Uani 1 1 d . U . . .
O16 O 0.5051(13) -0.1179(12) 0.5747(9) 0.062(6) Uani 1 1 d . U . . .
N6 N -0.0835(15) -0.1402(17) 0.6377(12) 0.062(7) Uani 1 1 d . U . . .
N1 N 0.5482(14) -0.0844(17) 0.5361(11) 0.058(7) Uani 1 1 d . U . . .
O19 O 0.2454(18) -0.0500(14) 0.3553(12) 0.094(9) Uani 1 1 d . . . . .
N5 N 0.0591(12) -0.0781(15) 0.4998(9) 0.045(6) Uani 1 1 d . . . . .
O21 O 0.0872(14) -0.1104(12) 0.4761(9) 0.066(6) Uani 1 1 d . . . . .
O22 O 0.2811(14) -0.1233(14) 0.5002(10) 0.074(7) Uani 1 1 d . U . . .
N7 N 0.4019(12) 0.0587(13) 0.6582(9) 0.043(5) Uani 1 1 d . U . . .
O2 O 0.6669(12) 0.1053(12) 0.6996(10) 0.066(6) Uani 1 1 d . U . . .
O25 O 0.7162(16) 0.4633(14) 0.3704(8) 0.076(7) Uani 1 1 d . . . . .
N3 N 0.5374(15) 0.1162(14) 0.5200(9) 0.056(6) Uani 1 1 d . U . . .
O27 O 0.1183(15) -0.3058(13) 0.5150(8) 0.069(7) Uani 1 1 d . . . . .
N0AA N 0.3371(11) -0.0932(9) 0.5275(7) 0.032(4) Uani 1 1 d . U . . .
O29 O 0.2543(12) -0.2183(15) 0.3369(9) 0.072(7) Uani 1 1 d . . . . .
O32 O 0.5687(16) 0.1698(16) 0.4898(11) 0.089(8) Uani 1 1 d . U . . .
N8 N 0.6145(16) 0.0679(16) 0.6680(11) 0.065(7) Uani 1 1 d . U . . .
C1 C 0.333333 -0.333333 0.4372(14) 0.038(7) Uani 1 3 d S TU P . .
H1 H 0.333333 -0.333333 0.397475 0.045 Uiso 1 3 calc RS T P . .
C2 C 0.0717(17) -0.2149(17) 0.1977(13) 0.063(7) Uani 1 1 d . . . . .
H2 H 0.019339 -0.242109 0.212011 0.076 Uiso 1 1 calc R . . . .
N9 N 0.2091(12) -0.1442(14) 0.1656(11) 0.070(8) Uani 1 1 d . . . . .
C5 C 0.2130(18) -0.132(2) 0.2240(16) 0.089(12) Uani 1 1 d . . . . .
H5A H 0.232843 -0.077657 0.231956 0.107 Uiso 1 1 calc R . . . .
H5B H 0.245955 -0.147840 0.240942 0.107 Uiso 1 1 calc R . . . .
C7 C 0.170(2) -0.110(2) 0.1388(14) 0.081(11) Uani 1 1 d . . . . .
H7A H 0.173677 -0.113308 0.099861 0.097 Uiso 1 1 calc R . . . .
H7B H 0.194760 -0.055577 0.148133 0.097 Uiso 1 1 calc R . . . .
N11 N 0.333333 -0.333333 0.5403(17) 0.089(17) Uani 1 3 d S T P . .
C12 C 0.307(3) -0.284(2) 0.5191(15) 0.103(15) Uani 1 1 d . . . . .
H12A H 0.343178 -0.231435 0.528162 0.123 Uiso 1 1 calc R . . . .
H12B H 0.257966 -0.297478 0.535752 0.123 Uiso 1 1 calc R . . . .
C14 C 0.1738(19) -0.2279(17) 0.1506(14) 0.071(8) Uani 1 1 d . U . . .
H14A H 0.200982 -0.249843 0.168907 0.085 Uiso 1 1 calc R . . . .
H14B H 0.178495 -0.232583 0.111835 0.085 Uiso 1 1 calc R . . . .
C18 C 0.0797(19) -0.1497(16) 0.1552(18) 0.084(12) Uani 1 1 d . . . . .
C22 C 0.128(2) -0.181(2) 0.2448(14) 0.084(11) Uani 1 1 d . . . . .
O35 O 0.113(3) -0.232(3) 0.283(2) 0.060(14) Uani 0.3333 1 d . U . . .
C0AA C 0.691(3) 0.298(3) 0.613(2) 0.106(13) Uani 1 1 d . U . . .
C1AA C 0.745(6) 0.314(5) 0.689(4) 0.22(4) Uani 1 1 d . U . . .
O38 O 0.649(3) 0.288(3) 0.555(2) 0.053(13) Uani 0.3333 1 d . U . . .
C21 C 0.2903(18) -0.101(2) 0.1432(17) 0.094(13) Uani 1 1 d . . . . .
H21A H 0.309255 -0.047218 0.144895 0.140 Uiso 1 1 calc GR . . . .
H21B H 0.290098 -0.116333 0.106231 0.140 Uiso 1 1 calc GR . . . .
H21C H 0.322704 -0.113710 0.164378 0.140 Uiso 1 1 calc GR . . . .
C24 C 0.088(2) -0.272(3) 0.1669(18) 0.099(14) Uani 1 1 d . . . . .
C2AA C 0.297(2) -0.292(2) 0.4581(14) 0.083(11) Uani 1 1 d . . . . .
O57 O 0.037(4) -0.309(4) 0.133(2) 0.065(15) Uani 0.3333 1 d . U . . .
O58 O 0.3738(14) -0.1480(15) 0.6320(10) 0.073(7) Uani 1 1 d . U . . .
O2AA O 0.239(4) -0.300(4) 0.438(3) 0.076(17) Uani 0.3333 1 d . U . . .
C3AA C 0.680(4) 0.283(4) 0.677(3) 0.14(2) Uani 1 1 d . U . . .
C13 C 0.333333 -0.333333 0.601(2) 0.080(17) Uani 1 3 d S T P . .
H13A H 0.376835 -0.287026 0.613919 0.119 Uiso 0.3333 1 calc GR . . A -1
H13B H 0.336140 -0.376835 0.613919 0.119 Uiso 0.3333 1 calc GR . . A -1
H13C H 0.287026 -0.336140 0.613919 0.119 Uiso 0.3333 1 calc GR . . A -1
O59 O 0.057(4) -0.109(4) 0.176(3) 0.09(2) Uani 0.3333 1 d . U . . .
C26 C 0.051(3) -0.508(3) 0.3560(18) 0.101(13) Uani 1 1 d . U . . .
C29 C -0.063(5) -0.521(4) 0.366(3) 0.16(2) Uani 1 1 d . U . . .
C27 C 0.013(2) -0.491(2) 0.3097(15) 0.075(9) Uani 1 1 d . U . . .
C31 C -0.117(4) -0.539(4) 0.349(3) 0.15(2) Uani 1 1 d . U . . .
C34 C -0.006(3) -0.453(3) 0.392(2) 0.138(19) Uani 1 1 d . U . . .
C35 C 0.053(3) -0.391(3) 0.326(2) 0.124(17) Uani 1 1 d . U . . .
C25 C -0.019(3) -0.443(3) 0.296(2) 0.139(19) Uani 1 1 d . U . . .
C33 C 0.081(3) -0.423(3) 0.380(2) 0.124(17) Uani 1 1 d . U . . .
C32 C 0.029(3) -0.484(3) 0.258(2) 0.123(17) Uani 1 1 d . U . . .
O62 O 0.063(4) -0.323(4) 0.358(3) 0.075(17) Uani 0.3333 1 d . U . . .
O61 O 0.061(3) -0.357(3) 0.409(2) 0.052(12) Uani 0.3333 1 d . U . . .
O60 O 0.119(4) -0.334(4) 0.368(3) 0.073(17) Uani 0.3333 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu00 O4 2.59(2) . ?
Eu00 O5 2.620(19) . ?
Eu00 O7 2.60(2) . ?
Eu00 O8 2.58(2) . ?
Eu00 O9 2.55(2) . ?
Eu00 O10 2.615(18) . ?
Eu00 O12 2.54(2) . ?
Eu00 O13 2.595(18) . ?
Eu00 O14 2.56(2) . ?
Eu00 O31 2.56(2) . ?
Eu00 O16 2.58(2) . ?
Eu00 O58 2.58(2) . ?
Eu02 O1 2.59(2) . ?
Eu02 O1 2.59(2) 2 ?
Eu02 O1 2.59(2) 3 ?
Eu02 O0AA 2.56(2) 3 ?
Eu02 O0AA 2.56(2) 2 ?
Eu02 O0AA 2.56(2) . ?
Eu02 O30 2.60(3) . ?
Eu02 O30 2.60(3) 3 ?
Eu02 O30 2.60(3) 2 ?
Eu02 O11 2.58(2) 2 ?
Eu02 O11 2.58(2) . ?
Eu02 O11 2.58(2) 3 ?
Rb1 O25 2.976(18) 3_665 ?
Rb1 O25 2.976(18) 2_655 ?
Rb1 O25 2.976(18) . ?
Rb1 O32 3.10(3) . ?
Rb1 O32 3.10(3) 3_665 ?
Rb1 O32 3.10(3) 2_655 ?
Rb1 O38 2.85(5) 2_655 ?
Rb1 O38 2.85(5) 3_665 ?
Rb1 O38 2.85(5) . ?
Rb1 O59 3.36(7) 6 ?
Rb1 O59 3.36(7) 4 ?
Rb1 O59 3.36(7) 5 ?
Rb2 O19 3.00(3) . ?
Rb2 O21 3.03(2) . ?
Rb2 O22 3.05(2) . ?
Rb2 O2 3.11(2) 7_444 ?
Rb2 O27 3.16(2) . ?
Rb2 O29 3.07(2) . ?
Rb2 O35 3.45(6) . ?
Rb2 O57 3.45(6) 5_445 ?
Rb2 O2AA 3.40(7) . ?
Rb2 O62 2.77(7) . ?
Rb2 O61 2.88(5) . ?
Rb2 O60 2.84(6) . ?
O1 N5 1.27(3) . ?
O0AA N6 1.21(3) . ?
O30 N6 1.29(4) 2 ?
O4 N8 1.18(3) . ?
O5 N1 1.21(3) . ?
N12 O31 1.34(4) . ?
N12 O25 1.25(3) 4_445 ?
N12 O58 1.19(4) . ?
O7 N0AA 1.33(3) . ?
O8 N7 1.22(3) . ?
O9 N0AA 1.23(3) . ?
O10 N3 1.27(3) . ?
O11 N5 1.31(3) 2 ?
O12 N7 1.24(3) . ?
O13 N3 1.23(3) . ?
O14 N8 1.28(4) . ?
O16 N1 1.25(3) . ?
N6 O29 1.25(3) 5_445 ?
N1 O27 1.21(3) 3_655 ?
O19 N7 1.30(3) 8_544 ?
N5 O21 1.22(3) . ?
O22 N0AA 1.20(3) . ?
O2 N8 1.23(3) . ?
N3 O32 1.21(3) . ?
C1 H1 0.9900 . ?
C1 C2AA 1.46(4) 2_545 ?
C1 C2AA 1.46(4) . ?
C1 C2AA 1.46(4) 3_655 ?
C2 H2 0.9900 . ?
C2 C18 1.64(5) . ?
C2 C22 1.55(5) . ?
C2 C24 1.57(5) . ?
N9 C5 1.47(5) . ?
N9 C7 1.47(4) . ?
N9 C14 1.53(4) . ?
N9 C21 1.53(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 C22 1.58(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 C18 1.64(4) . ?
N11 C12 1.45(3) . ?
N11 C12 1.45(3) 3_655 ?
N11 C12 1.45(3) 2_545 ?
N11 C13 1.51(7) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 C2AA 1.53(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 C24 1.56(5) . ?
C18 O59 1.25(7) . ?
C22 O35 1.32(6) . ?
C0AA C0AA 1.84(7) 3_665 ?
C0AA C0AA 1.84(7) 2_655 ?
C0AA O38 1.83(7) 2_655 ?
C0AA O38 1.63(7) . ?
C0AA C3AA 1.64(7) . ?
C1AA C3AA 1.20(11) . ?
O38 O38 1.40(9) 3_665 ?
O38 O38 1.40(9) 2_655 ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C24 O57 1.24(7) . ?
C2AA O2AA 1.23(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C26 C27 1.52(6) . ?
C26 C33 1.63(7) . ?
C29 C27 1.94(8) . ?
C29 C31 1.04(9) . ?
C29 C34 1.45(8) . ?
C27 C35 1.81(7) . ?
C27 C25 1.44(7) . ?
C27 C32 1.31(6) . ?
C34 C33 1.58(8) . ?
C34 O61 1.79(8) . ?
C35 C25 1.51(7) . ?
C35 C33 1.72(7) . ?
C35 O62 1.51(8) . ?
C35 O60 1.65(8) . ?
C25 C32 1.84(8) . ?
C33 O61 1.74(8) . ?
C33 O60 1.60(8) . ?
O62 O61 1.44(8) . ?
O62 O60 1.30(9) . ?
O61 O60 1.44(8) . ?

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
O4 Eu00 O5 68.7(6) . . ?
O4 Eu00 O7 176.6(7) . . ?
O4 Eu00 O10 66.6(6) . . ?
O4 Eu00 O13 111.7(6) . . ?
O7 Eu00 O5 112.6(7) . . ?
O7 Eu00 O10 110.8(6) . . ?
O8 Eu00 O4 110.7(7) . . ?
O8 Eu00 O5 179.2(8) . . ?
O8 Eu00 O7 68.0(7) . . ?
O8 Eu00 O10 112.6(7) . . ?
O8 Eu00 O13 111.5(7) . . ?
O8 Eu00 O16 132.8(8) . . ?
O9 Eu00 O4 131.7(6) . . ?
O9 Eu00 O5 66.7(6) . . ?
O9 Eu00 O7 50.8(7) . . ?
O9 Eu00 O8 114.0(7) . . ?
O9 Eu00 O10 110.2(6) . . ?
O9 Eu00 O13 67.2(7) . . ?
O9 Eu00 O14 178.1(7) . . ?
O9 Eu00 O31 114.1(7) . . ?
O9 Eu00 O16 66.1(7) . . ?
O9 Eu00 O58 68.2(8) . . ?
O10 Eu00 O5 66.7(6) . . ?
O12 Eu00 O4 110.7(6) . . ?
O12 Eu00 O5 129.9(6) . . ?
O12 Eu00 O7 66.0(7) . . ?
O12 Eu00 O8 49.7(7) . . ?
O12 Eu00 O9 111.7(7) . . ?
O12 Eu00 O10 68.0(7) . . ?
O12 Eu00 O13 66.1(7) . . ?
O12 Eu00 O14 69.4(7) . . ?
O12 Eu00 O31 112.8(7) . . ?
O12 Eu00 O16 177.0(8) . . ?
O12 Eu00 O58 115.3(7) . . ?
O13 Eu00 O5 68.4(6) . . ?
O13 Eu00 O7 66.6(6) . . ?
O13 Eu00 O10 48.6(6) . . ?
O14 Eu00 O4 46.6(6) . . ?
O14 Eu00 O5 111.4(6) . . ?
O14 Eu00 O7 130.9(7) . . ?
O14 Eu00 O8 67.9(7) . . ?
O14 Eu00 O10 68.7(7) . . ?
O14 Eu00 O13 112.3(7) . . ?
O14 Eu00 O16 112.8(7) . . ?
O14 Eu00 O58 112.9(8) . . ?
O31 Eu00 O4 67.7(7) . . ?
O31 Eu00 O5 112.3(7) . . ?
O31 Eu00 O7 113.9(7) . . ?
O31 Eu00 O8 67.8(8) . . ?
O31 Eu00 O10 130.4(7) . . ?
O31 Eu00 O13 178.6(8) . . ?
O31 Eu00 O14 66.3(7) . . ?
O31 Eu00 O16 70.2(8) . . ?
O31 Eu00 O58 49.8(8) . . ?
O16 Eu00 O4 70.6(7) . . ?
O16 Eu00 O5 47.7(7) . . ?
O16 Eu00 O7 112.6(7) . . ?
O16 Eu00 O10 110.6(6) . . ?
O16 Eu00 O13 111.0(7) . . ?
O58 Eu00 O4 112.1(7) . . ?
O58 Eu00 O5 109.9(7) . . ?
O58 Eu00 O7 70.6(8) . . ?
O58 Eu00 O8 70.8(8) . . ?
O58 Eu00 O10 176.6(8) . . ?
O58 Eu00 O13 131.3(7) . . ?
O58 Eu00 O16 66.0(8) . . ?
O1 Eu02 O1 68.8(8) . 3 ?
O1 Eu02 O1 68.8(8) . 2 ?
O1 Eu02 O1 68.8(8) 3 2 ?
O1 Eu02 O30 178.1(9) 3 . ?
O1 Eu02 O30 110.3(7) 2 2 ?
O1 Eu02 O30 110.3(7) . . ?
O1 Eu02 O30 178.1(10) . 2 ?
O1 Eu02 O30 112.5(9) . 3 ?
O1 Eu02 O30 178.1(9) 2 3 ?
O1 Eu02 O30 112.5(9) 2 . ?
O1 Eu02 O30 112.5(9) 3 2 ?
O1 Eu02 O30 110.3(7) 3 3 ?
O0AA Eu02 O1 129.6(7) 3 . ?
O0AA Eu02 O1 113.1(8) 2 2 ?
O0AA Eu02 O1 129.6(7) 2 3 ?
O0AA Eu02 O1 66.4(7) 2 . ?
O0AA Eu02 O1 66.4(7) 3 2 ?
O0AA Eu02 O1 129.6(7) . 2 ?
O0AA Eu02 O1 66.4(7) . 3 ?
O0AA Eu02 O1 113.1(8) 3 3 ?
O0AA Eu02 O1 113.1(8) . . ?
O0AA Eu02 O0AA 112.6(4) . 2 ?
O0AA Eu02 O0AA 112.6(4) . 3 ?
O0AA Eu02 O0AA 112.6(4) 2 3 ?
O0AA Eu02 O30 48.8(8) 3 2 ?
O0AA Eu02 O30 68.8(9) 2 3 ?
O0AA Eu02 O30 68.8(9) . 2 ?
O0AA Eu02 O30 112.9(8) . . ?
O0AA Eu02 O30 112.9(8) 2 2 ?
O0AA Eu02 O30 48.8(8) . 3 ?
O0AA Eu02 O30 112.9(8) 3 3 ?
O0AA Eu02 O30 48.8(8) 2 . ?
O0AA Eu02 O30 68.8(9) 3 . ?
O0AA Eu02 O11 66.3(9) . 3 ?
O0AA Eu02 O11 178.7(9) 3 3 ?
O0AA Eu02 O11 68.7(8) 3 . ?
O0AA Eu02 O11 178.7(9) 2 2 ?
O0AA Eu02 O11 66.3(9) 3 2 ?
O0AA Eu02 O11 178.7(9) . . ?
O0AA Eu02 O11 66.3(9) 2 . ?
O0AA Eu02 O11 68.7(8) 2 3 ?
O0AA Eu02 O11 68.7(8) . 2 ?
O30 Eu02 O30 68.5(10) 2 . ?
O30 Eu02 O30 68.5(10) 3 . ?
O30 Eu02 O30 68.5(10) 2 3 ?
O11 Eu02 O1 65.8(6) 3 3 ?
O11 Eu02 O1 50.9(7) 2 3 ?
O11 Eu02 O1 50.9(7) 3 . ?
O11 Eu02 O1 65.8(6) 2 2 ?
O11 Eu02 O1 65.8(6) . . ?
O11 Eu02 O1 113.5(7) . 3 ?
O11 Eu02 O1 113.5(7) 2 . ?
O11 Eu02 O1 113.5(7) 3 2 ?
O11 Eu02 O1 50.9(7) . 2 ?
O11 Eu02 O30 130.7(7) 2 . ?
O11 Eu02 O30 67.1(8) . . ?
O11 Eu02 O30 112.3(8) . 2 ?
O11 Eu02 O30 67.1(8) 3 3 ?
O11 Eu02 O30 130.7(7) 3 2 ?
O11 Eu02 O30 67.1(8) 2 2 ?
O11 Eu02 O30 112.3(8) 2 3 ?
O11 Eu02 O30 112.3(7) 3 . ?
O11 Eu02 O30 130.7(8) . 3 ?
O11 Eu02 O11 112.4(4) 3 . ?
O11 Eu02 O11 112.4(4) 2 3 ?
O11 Eu02 O11 112.4(4) 2 . ?
O25 Rb1 O25 84.4(7) 3_665 2_655 ?
O25 Rb1 O25 84.4(7) 3_665 . ?
O25 Rb1 O25 84.4(7) 2_655 . ?
O25 Rb1 O32 91.6(7) . 2_655 ?
O25 Rb1 O32 73.5(7) 3_665 2_655 ?
O25 Rb1 O32 73.5(7) 2_655 . ?
O25 Rb1 O32 73.5(7) . 3_665 ?
O25 Rb1 O32 157.9(9) 2_655 2_655 ?
O25 Rb1 O32 157.9(9) . . ?
O25 Rb1 O32 91.6(7) 2_655 3_665 ?
O25 Rb1 O32 91.6(7) 3_665 . ?
O25 Rb1 O32 157.9(9) 3_665 3_665 ?
O25 Rb1 O59 116.1(14) . 6 ?
O25 Rb1 O59 116.1(14) 2_655 4 ?
O25 Rb1 O59 69.5(13) 2_655 6 ?
O25 Rb1 O59 116.1(14) 3_665 5 ?
O25 Rb1 O59 143.8(13) 3_665 6 ?
O25 Rb1 O59 69.5(13) 3_665 4 ?
O25 Rb1 O59 143.8(13) . 4 ?
O25 Rb1 O59 143.8(13) 2_655 5 ?
O25 Rb1 O59 69.5(13) . 5 ?
O32 Rb1 O32 108.2(6) 2_655 3_665 ?
O32 Rb1 O32 108.2(6) 2_655 . ?
O32 Rb1 O32 108.2(6) . 3_665 ?
O32 Rb1 O59 51.3(14) . 4 ?
O32 Rb1 O59 57.9(14) . 6 ?
O32 Rb1 O59 130.8(14) 2_655 6 ?
O32 Rb1 O59 130.8(14) 3_665 4 ?
O32 Rb1 O59 57.8(14) 2_655 4 ?
O32 Rb1 O59 130.8(14) . 5 ?
O32 Rb1 O59 57.8(14) 3_665 5 ?
O32 Rb1 O59 51.3(14) 3_665 6 ?
O32 Rb1 O59 51.3(14) 2_655 5 ?
O38 Rb1 O25 119.7(11) 2_655 3_665 ?
O38 Rb1 O25 119.6(12) . 3_665 ?
O38 Rb1 O25 119.6(12) 3_665 2_655 ?
O38 Rb1 O25 119.7(11) . 2_655 ?
O38 Rb1 O25 119.7(11) 3_665 . ?
O38 Rb1 O25 145.6(11) 2_655 2_655 ?
O38 Rb1 O25 145.6(11) . . ?
O38 Rb1 O25 119.6(12) 2_655 . ?
O38 Rb1 O25 145.6(11) 3_665 3_665 ?
O38 Rb1 O32 81.2(12) . 3_665 ?
O38 Rb1 O32 74.4(12) 3_665 . ?
O38 Rb1 O32 74.4(12) 2_655 3_665 ?
O38 Rb1 O32 81.2(12) 2_655 . ?
O38 Rb1 O32 74.4(12) . 2_655 ?
O38 Rb1 O32 53.3(11) 3_665 3_665 ?
O38 Rb1 O32 81.2(12) 3_665 2_655 ?
O38 Rb1 O32 53.3(11) . . ?
O38 Rb1 O32 53.3(11) 2_655 2_655 ?
O38 Rb1 O38 28.5(17) 2_655 3_665 ?
O38 Rb1 O38 28.5(17) 3_665 . ?
O38 Rb1 O38 28.5(17) 2_655 . ?
O38 Rb1 O59 50.1(16) 2_655 5 ?
O38 Rb1 O59 59.7(17) 3_665 5 ?
O38 Rb1 O59 77.5(16) 2_655 6 ?
O38 Rb1 O59 77.5(16) 3_665 4 ?
O38 Rb1 O59 50.1(16) 3_665 6 ?
O38 Rb1 O59 77.5(16) . 5 ?
O38 Rb1 O59 50.1(16) . 4 ?
O38 Rb1 O59 59.7(17) . 6 ?
O38 Rb1 O59 59.7(17) 2_655 4 ?
O59 Rb1 O59 99.4(16) 4 6 ?
O59 Rb1 O59 99.4(15) 5 6 ?
O59 Rb1 O59 99.4(16) 4 5 ?
O19 Rb2 O21 86.2(7) . . ?
O19 Rb2 O22 85.5(8) . . ?
O19 Rb2 O2 94.0(8) . 7_444 ?
O19 Rb2 O27 155.2(9) . . ?
O19 Rb2 O29 71.5(8) . . ?
O19 Rb2 O35 71.3(11) . . ?
O19 Rb2 O57 144.9(12) . 5_445 ?
O19 Rb2 O2AA 115.6(13) . . ?
O21 Rb2 O22 85.3(7) . . ?
O21 Rb2 O2 69.0(6) . 7_444 ?
O21 Rb2 O27 91.4(6) . . ?
O21 Rb2 O29 157.6(8) . . ?
O21 Rb2 O35 118.0(11) . . ?
O21 Rb2 O57 69.3(12) . 5_445 ?
O21 Rb2 O2AA 142.5(12) . . ?
O22 Rb2 O2 154.3(7) . 7_444 ?
O22 Rb2 O27 69.6(7) . . ?
O22 Rb2 O29 92.4(6) . . ?
O22 Rb2 O35 144.8(11) . . ?
O22 Rb2 O57 115.8(11) . 5_445 ?
O22 Rb2 O2AA 67.6(12) . . ?
O2 Rb2 O27 108.2(7) 7_444 . ?
O2 Rb2 O35 56.6(11) 7_444 . ?
O2 Rb2 O57 54.5(11) 7_444 5_445 ?
O2 Rb2 O2AA 133.7(12) 7_444 . ?
O27 Rb2 O35 130.3(10) . . ?
O27 Rb2 O57 54.0(11) . 5_445 ?
O27 Rb2 O2AA 55.7(12) . . ?
O29 Rb2 O2 111.8(6) . 7_444 ?
O29 Rb2 O27 108.7(7) . . ?
O29 Rb2 O35 55.6(11) . . ?
O29 Rb2 O57 130.6(12) . 5_445 ?
O29 Rb2 O2AA 53.7(13) . . ?
O57 Rb2 O35 97.8(14) 5_445 . ?
O2AA Rb2 O35 98.4(15) . . ?
O2AA Rb2 O57 98.8(16) . 5_445 ?
O62 Rb2 O19 116.3(15) . . ?
O62 Rb2 O21 121.2(15) . . ?
O62 Rb2 O22 144.9(15) . . ?
O62 Rb2 O2 56.6(15) . 7_444 ?
O62 Rb2 O27 85.9(14) . . ?
O62 Rb2 O29 71.4(15) . . ?
O62 Rb2 O35 45.0(17) . . ?
O62 Rb2 O57 62.2(18) . 5_445 ?
O62 Rb2 O2AA 77.9(18) . . ?
O62 Rb2 O61 29.5(16) . . ?
O62 Rb2 O60 26.8(18) . . ?
O61 Rb2 O19 144.5(12) . . ?
O61 Rb2 O21 117.5(11) . . ?
O61 Rb2 O22 120.3(11) . . ?
O61 Rb2 O2 73.1(11) . 7_444 ?
O61 Rb2 O27 56.5(11) . . ?
O61 Rb2 O29 82.8(11) . . ?
O61 Rb2 O35 74.1(14) . . ?
O61 Rb2 O57 48.2(15) . 5_445 ?
O61 Rb2 O2AA 62.1(16) . . ?
O60 Rb2 O19 118.6(15) . . ?
O60 Rb2 O21 144.5(14) . . ?
O60 Rb2 O22 119.4(15) . . ?
O60 Rb2 O2 83.3(14) . 7_444 ?
O60 Rb2 O27 76.0(15) . . ?
O60 Rb2 O29 53.9(14) . . ?
O60 Rb2 O35 56.4(17) . . ?
O60 Rb2 O57 76.6(17) . 5_445 ?
O60 Rb2 O2AA 51.7(18) . . ?
O60 Rb2 O61 29.2(16) . . ?
N5 O1 Eu02 95.5(17) . . ?
N6 O0AA Eu02 99.5(19) . . ?
N6 O30 Eu02 95.2(19) 2 . ?
N8 O4 Eu00 101.7(18) . . ?
N1 O5 Eu00 96.8(16) . . ?
O31 N12 Eu00 58.3(15) . . ?
O25 N12 Eu00 174(2) 4_445 . ?
O25 N12 O31 118(3) 4_445 . ?
O58 N12 Eu00 58.4(18) . . ?
O58 N12 O31 117(3) . . ?
O58 N12 O25 125(3) . 4_445 ?
N0AA O7 Eu00 92.6(14) . . ?
N7 O8 Eu00 93.4(18) . . ?
N0AA O9 Eu00 97.2(15) . . ?
N3 O10 Eu00 95.7(15) . . ?
N5 O11 Eu02 94.7(15) 2 . ?
N7 O12 Eu00 95.2(16) . . ?
N3 O13 Eu00 97.8(16) . . ?
N8 O14 Eu00 100.2(19) . . ?
N12 O31 Eu00 95.1(18) . . ?
N1 O16 Eu00 97.5(17) . . ?
O0AA N6 Eu02 57.1(16) . . ?
O0AA N6 O30 116(3) . 3 ?
O0AA N6 O29 128(3) . 5_445 ?
O30 N6 Eu02 59.4(17) 3 . ?
O29 N6 Eu02 174(3) 5_445 . ?
O29 N6 O30 116(3) 5_445 3 ?
O5 N1 Eu00 59.7(13) . . ?
O5 N1 O16 118(2) . . ?
O16 N1 Eu00 58.2(14) . . ?
O27 N1 Eu00 173(2) 3_655 . ?
O27 N1 O5 127(3) 3_655 . ?
O27 N1 O16 115(3) 3_655 . ?
N7 O19 Rb2 171(2) 8_544 . ?
O1 N5 Eu02 59.6(13) . . ?
O1 N5 O11 119(2) . 3 ?
O11 N5 Eu02 59.4(12) 3 . ?
O21 N5 Eu02 173.1(19) . . ?
O21 N5 O1 123(3) . . ?
O21 N5 O11 117(3) . 3 ?
N5 O21 Rb2 179(2) . . ?
N0AA O22 Rb2 172(2) . . ?
O8 N7 Eu00 61.9(16) . . ?
O8 N7 O12 122(3) . . ?
O8 N7 O19 113(3) . 6 ?
O12 N7 Eu00 59.8(14) . . ?
O12 N7 O19 125(3) . 6 ?
O19 N7 Eu00 174.7(19) 6 . ?
N8 O2 Rb2 149(2) . 4 ?
N12 O25 Rb1 179(2) 7_554 . ?
O10 N3 Eu00 59.6(12) . . ?
O13 N3 Eu00 58.4(13) . . ?
O13 N3 O10 118(2) . . ?
O32 N3 Eu00 175(2) . . ?
O32 N3 O10 116(3) . . ?
O32 N3 O13 126(3) . . ?
N1 O27 Rb2 153(2) 2_545 . ?
O7 N0AA Eu00 60.9(12) . . ?
O9 N0AA Eu00 58.5(12) . . ?
O9 N0AA O7 119(2) . . ?
O22 N0AA Eu00 176.8(19) . . ?
O22 N0AA O7 116(2) . . ?
O22 N0AA O9 125(2) . . ?
N6 O29 Rb2 161(2) 9_544 . ?
N3 O32 Rb1 162(2) . . ?
O4 N8 Eu00 56.1(15) . . ?
O4 N8 O14 111(3) . . ?
O4 N8 O2 133(3) . . ?
O14 N8 Eu00 55.4(15) . . ?
O2 N8 Eu00 171(3) . . ?
O2 N8 O14 116(3) . . ?
C2AA C1 H1 111.0 2_545 . ?
C2AA C1 H1 111.0 . . ?
C2AA C1 H1 111.0 3_655 . ?
C2AA C1 C2AA 108(2) 2_545 3_655 ?
C2AA C1 C2AA 108(2) . 2_545 ?
C2AA C1 C2AA 108(2) . 3_655 ?
C18 C2 H2 109.2 . . ?
C22 C2 H2 109.2 . . ?
C22 C2 C18 112(3) . . ?
C22 C2 C24 108(3) . . ?
C24 C2 H2 109.2 . . ?
C24 C2 C18 108(3) . . ?
C5 N9 C14 113(3) . . ?
C5 N9 C21 108(3) . . ?
C7 N9 C5 111(3) . . ?
C7 N9 C14 111(3) . . ?
C7 N9 C21 105(3) . . ?
C14 N9 C21 108(3) . . ?
N9 C5 H5A 110.7 . . ?
N9 C5 H5B 110.7 . . ?
N9 C5 C22 105(2) . . ?
H5A C5 H5B 108.8 . . ?
C22 C5 H5A 110.7 . . ?
C22 C5 H5B 110.7 . . ?
N9 C7 H7A 109.0 . . ?
N9 C7 H7B 109.0 . . ?
N9 C7 C18 113(3) . . ?
H7A C7 H7B 107.8 . . ?
C18 C7 H7A 109.0 . . ?
C18 C7 H7B 109.0 . . ?
C12 N11 C12 108(2) 2_545 3_655 ?
C12 N11 C12 108(2) . 3_655 ?
C12 N11 C12 108(2) . 2_545 ?
C12 N11 C13 111(2) . . ?
C12 N11 C13 111(2) 3_655 . ?
C12 N11 C13 111(2) 2_545 . ?
N11 C12 H12A 109.4 . . ?
N11 C12 H12B 109.4 . . ?
N11 C12 C2AA 111(3) . . ?
H12A C12 H12B 108.0 . . ?
C2AA C12 H12A 109.4 . . ?
C2AA C12 H12B 109.4 . . ?
N9 C14 H14A 109.6 . . ?
N9 C14 H14B 109.6 . . ?
N9 C14 C24 110(3) . . ?
H14A C14 H14B 108.1 . . ?
C24 C14 H14A 109.6 . . ?
C24 C14 H14B 109.6 . . ?
C7 C18 C2 101(3) . . ?
O59 C18 C2 110(4) . . ?
O59 C18 C7 118(4) . . ?
C2 C22 C5 111(3) . . ?
O35 C22 C2 111(4) . . ?
O35 C22 C5 119(4) . . ?
C22 O35 Rb2 126(4) . . ?
C0AA C0AA C0AA 59.999(17) 3_665 2_655 ?
O38 C0AA C0AA 64(3) . 3_665 ?
O38 C0AA C0AA 85(2) . 2_655 ?
O38 C0AA C0AA 80(2) 2_655 3_665 ?
O38 C0AA C0AA 53(2) 2_655 2_655 ?
O38 C0AA O38 47(3) . 2_655 ?
O38 C0AA C3AA 146(5) . . ?
C3AA C0AA C0AA 88(3) . 3_665 ?
C3AA C0AA C0AA 98(3) . 2_655 ?
C3AA C0AA O38 150(4) . 2_655 ?
C0AA O38 Rb1 146(3) . . ?
C0AA O38 Rb1 132(3) 3_665 . ?
C0AA O38 C0AA 64(3) . 3_665 ?
O38 O38 Rb1 75.7(8) 3_665 . ?
O38 O38 Rb1 75.7(8) 2_655 . ?
O38 O38 C0AA 74(3) 2_655 . ?
O38 O38 C0AA 92(3) 2_655 3_665 ?
O38 O38 C0AA 59(3) 3_665 3_665 ?
O38 O38 C0AA 101(2) 3_665 . ?
O38 O38 O38 60.00(2) 3_665 2_655 ?
N9 C21 H21A 109.5 . . ?
N9 C21 H21B 109.5 . . ?
N9 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C14 C24 C2 107(3) . . ?
O57 C24 C2 111(4) . . ?
O57 C24 C14 122(4) . . ?
C1 C2AA C12 110(3) . . ?
O2AA C2AA C1 121(4) . . ?
O2AA C2AA C12 119(5) . . ?
C24 O57 Rb2 127(4) . 9_544 ?
N12 O58 Eu00 98(2) . . ?
C2AA O2AA Rb2 138(5) . . ?
C1AA C3AA C0AA 97(7) . . ?
N11 C13 H13A 109.5 . . ?
N11 C13 H13B 109.5 . . ?
N11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C18 O59 Rb1 127(5) . 7_444 ?
C27 C26 C33 91(3) . . ?
C31 C29 C27 111(8) . . ?
C31 C29 C34 136(9) . . ?
C34 C29 C27 84(5) . . ?
C26 C27 C29 78(3) . . ?
C26 C27 C35 95(3) . . ?
C35 C27 C29 92(3) . . ?
C25 C27 C26 141(4) . . ?
C25 C27 C29 80(4) . . ?
C25 C27 C35 54(3) . . ?
C32 C27 C26 129(5) . . ?
C32 C27 C29 149(5) . . ?
C32 C27 C35 99(4) . . ?
C32 C27 C25 83(4) . . ?
C29 C34 C33 119(6) . . ?
C29 C34 O61 163(6) . . ?
C33 C34 O61 62(4) . . ?
C25 C35 C27 51(3) . . ?
C25 C35 C33 120(5) . . ?
C25 C35 O62 123(5) . . ?
C25 C35 O60 168(5) . . ?
C33 C35 C27 78(3) . . ?
O62 C35 C27 156(5) . . ?
O62 C35 C33 91(4) . . ?
O62 C35 O60 48(4) . . ?
O60 C35 C27 133(4) . . ?
O60 C35 C33 57(3) . . ?
C27 C25 C35 76(4) . . ?
C27 C25 C32 45(3) . . ?
C35 C25 C32 91(4) . . ?
C26 C33 C35 95(4) . . ?
C26 C33 O61 149(4) . . ?
C34 C33 C26 85(4) . . ?
C34 C33 C35 77(4) . . ?
C34 C33 O61 65(4) . . ?
C34 C33 O60 107(5) . . ?
C35 C33 O61 77(3) . . ?
O60 C33 C26 147(5) . . ?
O60 C33 C35 59(3) . . ?
O60 C33 O61 51(3) . . ?
C27 C32 C25 51(3) . . ?
C35 O62 Rb2 150(4) . . ?
O61 O62 Rb2 80(3) . . ?
O61 O62 C35 94(5) . . ?
O60 O62 Rb2 80(4) . . ?
O60 O62 C35 71(5) . . ?
O60 O62 O61 63(5) . . ?
C34 O61 Rb2 168(3) . . ?
C33 O61 Rb2 130(3) . . ?
C33 O61 C34 53(3) . . ?
O62 O61 Rb2 71(3) . . ?
O62 O61 C34 98(4) . . ?
O62 O61 C33 93(4) . . ?
O62 O61 O60 54(4) . . ?
O60 O61 Rb2 74(3) . . ?
O60 O61 C34 104(4) . . ?
O60 O61 C33 60(4) . . ?
C35 O60 Rb2 133(4) . . ?
C33 O60 Rb2 142(4) . . ?
C33 O60 C35 64(4) . . ?
O62 O60 Rb2 74(4) . . ?
O62 O60 C35 60(4) . . ?
O62 O60 C33 105(6) . . ?
O62 O60 O61 63(5) . . ?
O61 O60 Rb2 77(3) . . ?
O61 O60 C35 89(4) . . ?
O61 O60 C33 69(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT043_1                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      96.70 Check 
RESPONSE: ...The disordered molecule was not modeled as the chemical sense.
;
_vrf_PLAT315_1                   
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).       C0AA Check 
RESPONSE: ...The disordered molecule was not modeled as the chemical sense.
;
_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.07286 Ang.  
RESPONSE: ...This is due to disorder.
;
_vrf_PLAT430_1                   
;
PROBLEM: Short Inter D...A Contact  O35      ..O62      .       2.47 Ang.  
RESPONSE: ...The H atoms was not modeled because of disorder.
;
_vrf_PLAT972_1                   
;
PROBLEM: Check Calcd Resid. Dens.  1.27A   From Eu00           -3.55 eA-3  
RESPONSE: ...This is due to disorder.
;
_vrf_PLAT976_1                   
;
PROBLEM: Check Calcd Resid. Dens.  1.05A   From O5             -1.76 eA-3  
RESPONSE: ...This is due to disorder.
;
_vrf_PLAT987_1                   
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check 
RESPONSE: ...This  disorder causes the deviation of the Flack value from the theoretical value.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2096217'
loop_
_audit_author_name
_audit_author_address
'Chang-Feng Wang'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2021-07-15 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2021-01-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Eu2 N12 O36 Rb2, 4(C7 N1 H14)'
_chemical_formula_sum            'C28 H56 Eu2 N16 O36 Rb2'
_chemical_formula_weight         1667.74
_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'
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'
Rb Rb -0.9393 2.9676 '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'

_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      cubic
_space_group_IT_number           225
_space_group_name_H-M_alt        'F m -3 m'
_space_group_name_Hall           '-F 4 2 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'

_cell_length_a                   14.10910(10)
_cell_length_b                   14.10910(10)
_cell_length_c                   14.10910(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2808.65(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1468
_cell_measurement_temperature    293
_cell_measurement_theta_max      31.3230
_cell_measurement_theta_min      2.8760
_shelx_estimated_absorpt_T_max   0.529
_shelx_estimated_absorpt_T_min   0.456
_exptl_absorpt_coefficient_mu    4.048
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80746
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro 1.171.40.39a (Rigaku Oxford Diffraction,'
_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    1.972
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1648
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0174
_diffrn_reflns_av_unetI/netI     0.0114
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.876
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            1744
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.876
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.730
_diffrn_reflns_theta_min         2.500
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.876
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                254
_reflns_number_total             255
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.530
_refine_diff_density_min         -0.274
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     25
_refine_ls_number_reflns         255
_refine_ls_number_restraints     32
_refine_ls_R_factor_all          0.0175
_refine_ls_R_factor_gt           0.0174
_refine_ls_restrained_S_all      1.210
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0233P)²+4.2182P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0432
_refine_ls_wR_factor_ref         0.0432
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C1-C3 = C1-C2
 1.5 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
C1 \\sim C3 \\sim C2: within 2A with sigma of 0.04 and sigma for terminal atoms
of 0.08
Uanis(C1) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C2) \\sim Ueq: with sigma of
0.1 and sigma for terminal atoms of 0.2
3. Others
 Fixed Sof: O005(0.25) C3(0.08333) C2(0.125)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu 0.000000 0.500000 0.500000 0.02623(15) Uani 1 48 d S T P . .
Rb02 Rb 0.500000 0.500000 0.500000 0.0339(2) Uani 1 48 d S T P . .
N003 N 0.2124(3) 0.500000 0.500000 0.0483(9) Uani 1 8 d S T P . .
O004 O 0.2991(3) 0.500000 0.500000 0.0864(15) Uani 1 8 d S T P . .
O005 O 0.1655(2) 0.500000 0.5761(2) 0.0525(7) Uani 0.5 2 d S T P . .
C1 C 0.3105(4) 0.6895(4) 0.6895(4) 0.124(3) Uani 1 6 d DS TU P . .
C3 C 0.3016(7) 0.8016(7) 0.6984(7) 0.156(8) Uani 0.5 6 d DS TU P . .
C2 C 0.250000 0.6371(7) 0.750000 0.124(6) Uani 0.5 4 d DS TU P . .


_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 O005 2.570(3) 182_455 ?
Eu01 O005 2.570(3) 165_565 ?
Eu01 O005 2.570(3) 77_455 ?
Eu01 O005 2.570(3) 97_566 ?
Eu01 O005 2.570(3) 57_455 ?
Eu01 O005 2.570(3) 113_565 ?
Eu01 O005 2.570(3) 86_556 ?
Eu01 O005 2.570(3) 153_565 ?
Eu01 O005 2.570(3) 173_556 ?
Eu01 O005 2.570(3) 17_556 ?
Eu01 O005 2.570(3) 70_465 ?
Eu01 O005 2.570(3) 166 ?
Rb02 O004 2.835(4) . ?
Rb02 O004 2.835(4) 5 ?
Rb02 O004 2.835(4) 101_666 ?
Rb02 O004 2.835(4) 97_666 ?
Rb02 O004 2.835(4) 105_666 ?
Rb02 O004 2.835(4) 9 ?
N003 O004 1.223(6) . ?
N003 O005 1.262(4) . ?
N003 O005 1.262(4) 98_556 ?
N003 O005 1.262(4) 17_556 ?
N003 O005 1.262(4) 114_566 ?
O005 O005 1.519(5) 114_566 ?
O005 O005 1.783(7) 70_465 ?
O005 O005 1.519(5) 17_556 ?
C1 C3 1.592(10) . ?
C1 C3 1.592(10) 74_565 ?
C1 C3 1.592(10) 28_566 ?
C1 C2 1.415(6) . ?
C1 C2 1.415(6) 77_455 ?
C1 C2 1.415(6) 10_656 ?
C3 C2 1.345(7) 77_455 ?
C3 C2 1.345(7) 74_565 ?
C3 C2 1.345(7) 10_656 ?

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
O005 Eu01 O005 180.0 182_455 86_556 ?
O005 Eu01 O005 139.41(14) 97_566 70_465 ?
O005 Eu01 O005 34.38(10) 70_465 57_455 ?
O005 Eu01 O005 112.31(5) 77_455 153_565 ?
O005 Eu01 O005 79.94(6) 113_565 153_565 ?
O005 Eu01 O005 139.41(14) 77_455 113_565 ?
O005 Eu01 O005 90.0 97_566 165_565 ?
O005 Eu01 O005 34.38(10) 57_455 165_565 ?
O005 Eu01 O005 79.94(6) 77_455 70_465 ?
O005 Eu01 O005 180.0 166 70_465 ?
O005 Eu01 O005 112.31(5) 173_556 57_455 ?
O005 Eu01 O005 112.31(5) 97_566 57_455 ?
O005 Eu01 O005 67.69(5) 182_455 165_565 ?
O005 Eu01 O005 67.69(5) 182_455 17_556 ?
O005 Eu01 O005 112.31(5) 17_556 165_565 ?
O005 Eu01 O005 145.62(10) 182_455 173_556 ?
O005 Eu01 O005 100.06(6) 173_556 70_465 ?
O005 Eu01 O005 40.59(14) 86_556 153_565 ?
O005 Eu01 O005 145.62(10) 70_465 153_565 ?
O005 Eu01 O005 34.38(10) 166 153_565 ?
O005 Eu01 O005 112.31(5) 182_455 166 ?
O005 Eu01 O005 67.69(5) 86_556 113_565 ?
O005 Eu01 O005 67.69(5) 86_556 166 ?
O005 Eu01 O005 34.38(10) 86_556 173_556 ?
O005 Eu01 O005 79.94(6) 173_556 166 ?
O005 Eu01 O005 67.69(5) 166 113_565 ?
O005 Eu01 O005 100.06(6) 77_455 166 ?
O005 Eu01 O005 79.94(6) 173_556 165_565 ?
O005 Eu01 O005 40.59(14) 97_566 166 ?
O005 Eu01 O005 139.41(14) 173_556 17_556 ?
O005 Eu01 O005 67.69(5) 182_455 70_465 ?
O005 Eu01 O005 34.38(10) 182_455 77_455 ?
O005 Eu01 O005 67.69(5) 70_465 17_556 ?
O005 Eu01 O005 180.00(14) 113_565 17_556 ?
O005 Eu01 O005 67.69(5) 173_556 97_566 ?
O005 Eu01 O005 139.41(14) 182_455 153_565 ?
O005 Eu01 O005 67.69(5) 173_556 153_565 ?
O005 Eu01 O005 67.69(5) 97_566 153_565 ?
O005 Eu01 O005 100.06(6) 17_556 153_565 ?
O005 Eu01 O005 145.62(10) 86_556 77_455 ?
O005 Eu01 O005 139.41(14) 86_556 57_455 ?
O005 Eu01 O005 112.31(5) 182_455 113_565 ?
O005 Eu01 O005 67.69(5) 77_455 57_455 ?
O005 Eu01 O005 40.59(14) 182_455 57_455 ?
O005 Eu01 O005 145.62(10) 166 57_455 ?
O005 Eu01 O005 40.59(14) 173_556 113_565 ?
O005 Eu01 O005 100.06(6) 113_565 57_455 ?
O005 Eu01 O005 180.0 173_556 77_455 ?
O005 Eu01 O005 180.0 153_565 57_455 ?
O005 Eu01 O005 34.38(10) 97_566 113_565 ?
O005 Eu01 O005 112.31(5) 86_556 165_565 ?
O005 Eu01 O005 79.94(6) 17_556 57_455 ?
O005 Eu01 O005 100.06(6) 77_455 165_565 ?
O005 Eu01 O005 112.31(5) 70_465 113_565 ?
O005 Eu01 O005 130.59(15) 166 165_565 ?
O005 Eu01 O005 100.06(6) 182_455 97_566 ?
O005 Eu01 O005 67.69(5) 113_565 165_565 ?
O005 Eu01 O005 112.31(5) 86_556 17_556 ?
O005 Eu01 O005 145.62(10) 153_565 165_565 ?
O005 Eu01 O005 49.41(14) 70_465 165_565 ?
O005 Eu01 O005 145.62(10) 97_566 17_556 ?
O005 Eu01 O005 40.59(14) 77_455 17_556 ?
O005 Eu01 O005 112.31(5) 166 17_556 ?
O005 Eu01 O005 79.94(6) 86_556 97_566 ?
O005 Eu01 O005 112.31(5) 86_556 70_465 ?
O005 Eu01 O005 112.31(5) 77_455 97_566 ?
O004 Rb02 O004 90.0 . 105_666 ?
O004 Rb02 O004 180.0 105_666 9 ?
O004 Rb02 O004 90.000(1) . 5 ?
O004 Rb02 O004 90.0 105_666 5 ?
O004 Rb02 O004 90.0 97_666 101_666 ?
O004 Rb02 O004 90.0 105_666 101_666 ?
O004 Rb02 O004 90.0 97_666 9 ?
O004 Rb02 O004 180.0 5 101_666 ?
O004 Rb02 O004 90.0 101_666 9 ?
O004 Rb02 O004 90.0 . 101_666 ?
O004 Rb02 O004 90.0 97_666 5 ?
O004 Rb02 O004 90.0 . 9 ?
O004 Rb02 O004 90.000(1) 105_666 97_666 ?
O004 Rb02 O004 180.0 . 97_666 ?
O004 Rb02 O004 90.0 5 9 ?
O004 N003 Eu01 180.0 . . ?
O004 N003 O005 121.7(2) . 17_556 ?
O004 N003 O005 121.7(2) . 98_556 ?
O004 N003 O005 121.7(2) . . ?
O004 N003 O005 121.7(2) . 114_566 ?
O005 N003 Eu01 58.3(2) . . ?
O005 N003 Eu01 58.3(2) 17_556 . ?
O005 N003 Eu01 58.3(2) 114_566 . ?
O005 N003 Eu01 58.3(2) 98_556 . ?
O005 N003 O005 74.0(2) . 17_556 ?
O005 N003 O005 116.7(4) 114_566 17_556 ?
O005 N003 O005 74.0(2) . 114_566 ?
O005 N003 O005 74.0(2) 98_556 114_566 ?
O005 N003 O005 116.7(4) . 98_556 ?
O005 N003 O005 74.0(2) 98_556 17_556 ?
N003 O004 Rb02 180.0 . . ?
N003 O005 Eu01 97.0(2) . . ?
N003 O005 O005 166.7(2) . 70_465 ?
N003 O005 O005 53.00(10) . 17_556 ?
N003 O005 O005 53.00(10) . 114_566 ?
O005 O005 Eu01 69.70(7) 70_465 . ?
O005 O005 Eu01 72.81(5) 17_556 . ?
O005 O005 Eu01 72.81(5) 114_566 . ?
O005 O005 O005 90.0 114_566 17_556 ?
O005 O005 O005 120.0 17_556 70_465 ?
O005 O005 O005 119.998(1) 114_566 70_465 ?
C3 C1 C3 80.7(9) 28_566 74_565 ?
C3 C1 C3 80.7(9) . 74_565 ?
C3 C1 C3 80.7(9) . 28_566 ?
C2 C1 C3 115.1(9) 77_455 28_566 ?
C2 C1 C3 52.7(3) . 28_566 ?
C2 C1 C3 52.7(3) . 74_565 ?
C2 C1 C3 115.1(9) 10_656 74_565 ?
C2 C1 C3 52.7(3) 77_455 . ?
C2 C1 C3 115.1(9) . . ?
C2 C1 C3 52.7(3) 77_455 74_565 ?
C2 C1 C3 52.7(3) 10_656 28_566 ?
C2 C1 C3 52.7(3) 10_656 . ?
C2 C1 C2 105.4(6) 10_656 . ?
C2 C1 C2 105.4(6) 77_455 . ?
C2 C1 C2 105.4(6) 10_656 77_455 ?
C1 C3 C1 98.6(7) 28_566 . ?
C1 C3 C1 98.6(7) 74_565 . ?
C1 C3 C1 98.6(7) 28_566 74_565 ?
C2 C3 C1 56.9(3) 74_565 28_566 ?
C2 C3 C1 56.9(3) 10_656 28_566 ?
C2 C3 C1 136.3(13) 77_455 28_566 ?
C2 C3 C1 56.9(3) 77_455 74_565 ?
C2 C3 C1 56.9(3) 74_565 74_565 ?
C2 C3 C1 56.9(3) 10_656 . ?
C2 C3 C1 136.3(13) 74_565 . ?
C2 C3 C1 136.3(13) 10_656 74_565 ?
C2 C3 C1 56.9(3) 77_455 . ?
C2 C3 C2 113.7(7) 77_455 10_656 ?
C2 C3 C2 113.7(7) 10_656 74_565 ?
C2 C3 C2 113.7(7) 77_455 74_565 ?
C1 C2 C1 117.0(10) 51_556 . ?
C3 C2 C1 70.4(5) 28_566 51_556 ?
C3 C2 C1 70.4(5) 74_565 51_556 ?
C3 C2 C1 70.4(5) 28_566 . ?
C3 C2 C1 70.4(5) 74_565 . ?
C3 C2 C3 100.1(16) 28_566 74_565 ?

_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_1_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2096223'
loop_
_audit_author_name
_audit_author_address
'Chang-Feng Wang'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2021-07-15 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2021-01-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(C64 H136 Eu4 N24 O80 Rb4)'
_chemical_formula_sum            'C16 H34 Eu N8 O20 Rb'
_chemical_formula_weight         895.95
_chemical_absolute_configuration S
_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'
Rb Rb -0.9393 2.9676 '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      cubic
_space_group_IT_number           198
_space_group_name_H-M_alt        'P 21 3'
_space_group_name_Hall           'P 2ac 2ab 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'

_cell_length_a                   14.42890(10)
_cell_length_b                   14.42890(10)
_cell_length_c                   14.42890(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3004.00(6)
_cell_formula_units_Z            3.99996
_cell_measurement_reflns_used    4469
_cell_measurement_temperature    303
_cell_measurement_theta_max      27.3620
_cell_measurement_theta_min      3.1500
_shelx_estimated_absorpt_T_max   0.548
_shelx_estimated_absorpt_T_min   0.489
_exptl_absorpt_coefficient_mu    3.797
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.981
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0644
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.873
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9495
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.835
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.341
_diffrn_reflns_theta_min         1.996
_diffrn_ambient_temperature      303
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.873
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.735
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.788
_reflns_number_gt                2232
_reflns_number_total             2768
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.842
_refine_diff_density_min         -1.285
_refine_diff_density_rms         0.137
_refine_ls_abs_structure_details 
;
 Flack x determined using 811 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.009(17)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2768
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0537
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0885P)²+1.5252P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1402
_refine_ls_wR_factor_ref         0.1510
_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 C(H,H,H) groups
2. Restrained distances
 C00E-H8
 2 with sigma of 0.001
3. Rigid bond restraints
 C2, C1, C3, O9
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(O9) \\sim
Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Fixed Sof: H00D(0.33333) H00F(0.33333) H00G(0.33333) O8(0.33333) O9(0.33333)
 H8(0.33333)
6.a Ternary CH refined with riding coordinates:
 C00C(H00C), C00E(H00E)
6.b Secondary CH2 refined with riding coordinates:
 C00D(H00A,H00B)
6.c Idealised Me refined as rotating group:
 C00F(H00D,H00F,H00G)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu01 Eu -0.52085(3) -0.02085(3) -0.47915(3) 0.0446(2) Uani 1 3 d S T P . .
Rb02 Rb -0.47904(6) -0.02096(6) 0.02096(6) 0.0728(5) Uani 1 3 d S T P . .
O003 O -0.4383(6) -0.0322(7) -0.3225(5) 0.0622(18) Uani 1 1 d . . . . .
O004 O -0.5146(8) 0.1468(6) -0.5440(5) 0.070(2) Uani 1 1 d . . . . .
O005 O -0.5854(5) -0.0210(8) -0.3128(5) 0.0669(17) Uani 1 1 d . . . . .
O006 O -0.5109(8) 0.1382(5) -0.3973(5) 0.072(2) Uani 1 1 d . . . . .
O007 O -0.5033(7) -0.0271(7) -0.1870(5) 0.088(3) Uani 1 1 d . . . . .
N008 N -0.7794(7) -0.2206(7) 0.2794(7) 0.062(3) Uani 1 3 d S T P . .
N009 N -0.5093(6) -0.0270(6) -0.2721(5) 0.060(2) Uani 1 1 d . . . . .
O00A O -0.5019(9) 0.2719(6) -0.4634(9) 0.106(4) Uani 1 1 d . . . . .
N00B N -0.5080(6) 0.1877(6) -0.4672(7) 0.065(2) Uani 1 1 d . . . . .
C00C C -0.6802(8) -0.3198(8) 0.1802(8) 0.074(6) Uani 1 3 d S T P . .
H00C H -0.641024 -0.358976 0.141024 0.089 Uiso 1 3 calc RS T P . .
C00D C -0.7345(10) -0.1606(10) 0.2110(10) 0.085(4) Uani 1 1 d . . . . .
H00A H -0.700951 -0.111358 0.242203 0.101 Uiso 1 1 calc R . . . .
H00B H -0.780741 -0.132683 0.171046 0.101 Uiso 1 1 calc R . . . .
C00E C -0.6696(11) -0.2173(10) 0.1553(12) 0.090(4) Uani 1 1 d D . . . .
H00E H -0.693319 -0.212750 0.091825 0.108 Uiso 1 1 calc R . . . .
C00F C -0.8422(7) -0.1578(7) 0.3422(7) 0.100(9) Uani 1 3 d S T P . .
H00D H -0.852542 -0.099504 0.311885 0.150 Uiso 0.3333 1 calc GR . . A -1
H00F H -0.811885 -0.147458 0.400496 0.150 Uiso 0.3333 1 calc GR . . A -1
H00G H -0.900496 -0.188115 0.352542 0.150 Uiso 0.3333 1 calc GR . . A -1
O8 O -0.577(2) -0.1946(18) 0.148(3) 0.102(11) Uani 0.3333 1 d . . . . .
C1 C -0.304(2) -0.289(2) 0.269(2) 0.164(9) Uani 1 1 d . U . . .
C3 C -0.3692(17) -0.2356(19) 0.2049(16) 0.139(7) Uani 1 1 d . U . . .
O9 O -0.398(2) -0.176(2) 0.113(2) 0.090(7) Uani 0.3333 1 d . U . . .
C2 C -0.3488(18) -0.3035(19) 0.3421(18) 0.156(8) Uani 1 1 d . U . . .
H8 H -0.568(4) -0.241(10) 0.064(4) 0.01(4) Uiso 0.3333 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu01 O003 2.560(7) 11_444 ?
Eu01 O003 2.560(7) 8_454 ?
Eu01 O003 2.560(7) . ?
Eu01 O004 2.595(8) 11_444 ?
Eu01 O004 2.595(8) 8_454 ?
Eu01 O004 2.595(8) . ?
Eu01 O005 2.574(8) 11_444 ?
Eu01 O005 2.574(8) . ?
Eu01 O005 2.574(8) 8_454 ?
Eu01 O006 2.584(8) . ?
Eu01 O006 2.584(8) 11_444 ?
Eu01 O006 2.584(8) 8_454 ?
Rb02 O007 3.023(8) 6_445 ?
Rb02 O007 3.023(8) 12_455 ?
Rb02 O007 3.023(8) . ?
Rb02 O00A 3.114(8) 3_444 ?
Rb02 O00A 3.114(8) 8_455 ?
Rb02 O00A 3.114(8) 10_554 ?
Rb02 O8 3.41(3) 12_455 ?
Rb02 O8 3.41(3) 6_445 ?
Rb02 O8 3.41(3) . ?
Rb02 O9 2.85(3) 12_455 ?
Rb02 O9 2.85(3) . ?
Rb02 O9 2.85(3) 6_445 ?
O003 N009 1.259(11) . ?
O004 N00B 1.259(12) . ?
O005 N009 1.249(11) . ?
O006 N00B 1.236(12) . ?
O007 N009 1.231(11) . ?
N008 C00D 1.464(14) 10_444 ?
N008 C00D 1.464(14) 7_445 ?
N008 C00D 1.464(14) . ?
N008 C00F 1.57(2) . ?
O00A N00B 1.220(12) . ?
C00C H00C 0.9800 . ?
C00C C00E 1.529(16) . ?
C00C C00E 1.529(16) 7_445 ?
C00C C00E 1.529(16) 10_444 ?
C00D H00A 0.9700 . ?
C00D H00B 0.9700 . ?
C00D C00E 1.48(2) . ?
C00E H00E 0.9800 . ?
C00E O8 1.39(3) . ?
C00F H00D 0.9600 . ?
C00F H00F 0.9600 . ?
C00F H00G 0.9600 . ?
O8 H8 1.39(8) . ?
C1 C1 1.72(6) 12_455 ?
C1 C1 1.72(6) 6_445 ?
C1 C3 1.53(3) . ?
C1 C2 1.26(4) . ?
C3 C3 1.90(4) 12_455 ?
C3 C3 1.90(4) 6_445 ?
C3 O9 1.64(4) . ?
O9 O9 1.40(4) 12_455 ?
O9 O9 1.40(4) 6_445 ?

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
O003 Eu01 O003 112.60(17) 11_444 8_454 ?
O003 Eu01 O003 112.60(17) 11_444 . ?
O003 Eu01 O003 112.60(17) 8_454 . ?
O003 Eu01 O004 67.6(4) 8_454 . ?
O003 Eu01 O004 111.2(2) 11_444 11_444 ?
O003 Eu01 O004 111.2(2) 8_454 8_454 ?
O003 Eu01 O004 111.2(2) . . ?
O003 Eu01 O004 131.1(3) 8_454 11_444 ?
O003 Eu01 O004 131.1(3) 11_444 . ?
O003 Eu01 O004 67.6(4) 11_444 8_454 ?
O003 Eu01 O004 131.1(3) . 8_454 ?
O003 Eu01 O004 67.6(4) . 11_444 ?
O003 Eu01 O005 114.2(3) . 8_454 ?
O003 Eu01 O005 67.8(3) 11_444 8_454 ?
O003 Eu01 O005 49.1(2) 8_454 8_454 ?
O003 Eu01 O005 49.1(2) 11_444 11_444 ?
O003 Eu01 O005 67.8(3) 8_454 . ?
O003 Eu01 O005 114.2(3) 8_454 11_444 ?
O003 Eu01 O005 67.8(3) . 11_444 ?
O003 Eu01 O005 114.2(3) 11_444 . ?
O003 Eu01 O005 49.1(2) . . ?
O003 Eu01 O006 68.1(3) 8_454 8_454 ?
O003 Eu01 O006 68.1(3) 11_444 11_444 ?
O003 Eu01 O006 179.3(3) . 8_454 ?
O003 Eu01 O006 179.3(3) 8_454 11_444 ?
O003 Eu01 O006 66.8(4) 8_454 . ?
O003 Eu01 O006 66.8(4) . 11_444 ?
O003 Eu01 O006 68.1(3) . . ?
O003 Eu01 O006 66.8(4) 11_444 8_454 ?
O003 Eu01 O006 179.3(3) 11_444 . ?
O004 Eu01 O004 67.6(4) 8_454 . ?
O004 Eu01 O004 67.6(4) 11_444 8_454 ?
O004 Eu01 O004 67.6(4) 11_444 . ?
O005 Eu01 O004 178.1(5) 8_454 11_444 ?
O005 Eu01 O004 178.1(5) 11_444 . ?
O005 Eu01 O004 110.4(3) 11_444 11_444 ?
O005 Eu01 O004 111.7(3) 8_454 . ?
O005 Eu01 O004 111.7(3) . 11_444 ?
O005 Eu01 O004 110.4(3) . . ?
O005 Eu01 O004 110.4(3) 8_454 8_454 ?
O005 Eu01 O004 178.1(5) . 8_454 ?
O005 Eu01 O004 111.7(3) 11_444 8_454 ?
O005 Eu01 O005 70.2(4) 11_444 . ?
O005 Eu01 O005 70.2(4) 8_454 . ?
O005 Eu01 O005 70.2(4) 8_454 11_444 ?
O005 Eu01 O006 131.5(2) 11_444 . ?
O005 Eu01 O006 111.9(3) 11_444 8_454 ?
O005 Eu01 O006 66.1(4) 8_454 8_454 ?
O005 Eu01 O006 131.5(2) 8_454 11_444 ?
O005 Eu01 O006 111.9(3) 8_454 . ?
O005 Eu01 O006 66.1(4) . . ?
O005 Eu01 O006 111.9(3) . 11_444 ?
O005 Eu01 O006 66.1(4) 11_444 11_444 ?
O005 Eu01 O006 131.5(2) . 8_454 ?
O006 Eu01 O004 48.3(2) 8_454 8_454 ?
O006 Eu01 O004 69.2(4) 8_454 . ?
O006 Eu01 O004 112.0(2) 8_454 11_444 ?
O006 Eu01 O004 69.2(4) 11_444 8_454 ?
O006 Eu01 O004 112.0(2) 11_444 . ?
O006 Eu01 O004 69.2(4) . 11_444 ?
O006 Eu01 O004 112.0(2) . 8_454 ?
O006 Eu01 O004 48.3(2) . . ?
O006 Eu01 O004 48.3(2) 11_444 11_444 ?
O006 Eu01 O006 112.44(18) . 11_444 ?
O006 Eu01 O006 112.44(18) . 8_454 ?
O006 Eu01 O006 112.44(18) 8_454 11_444 ?
O007 Rb02 O007 85.3(3) . 12_455 ?
O007 Rb02 O007 85.3(3) . 6_445 ?
O007 Rb02 O007 85.3(3) 6_445 12_455 ?
O007 Rb02 O00A 72.4(3) 6_445 8_455 ?
O007 Rb02 O00A 91.8(3) . 10_554 ?
O007 Rb02 O00A 157.6(3) 6_445 10_554 ?
O007 Rb02 O00A 157.6(3) 12_455 3_444 ?
O007 Rb02 O00A 157.6(3) . 8_455 ?
O007 Rb02 O00A 72.4(3) . 3_444 ?
O007 Rb02 O00A 91.8(3) 12_455 8_455 ?
O007 Rb02 O00A 91.8(3) 6_445 3_444 ?
O007 Rb02 O00A 72.4(3) 12_455 10_554 ?
O007 Rb02 O8 70.1(6) . 12_455 ?
O007 Rb02 O8 143.5(5) . 6_445 ?
O007 Rb02 O8 70.1(6) 12_455 6_445 ?
O007 Rb02 O8 117.7(6) . . ?
O007 Rb02 O8 117.7(6) 6_445 6_445 ?
O007 Rb02 O8 143.5(5) 6_445 12_455 ?
O007 Rb02 O8 117.7(6) 12_455 12_455 ?
O007 Rb02 O8 143.5(5) 12_455 . ?
O007 Rb02 O8 70.1(6) 6_445 . ?
O00A Rb02 O00A 108.5(2) 10_554 8_455 ?
O00A Rb02 O00A 108.5(2) 3_444 10_554 ?
O00A Rb02 O00A 108.5(2) 3_444 8_455 ?
O00A Rb02 O8 53.2(6) 3_444 . ?
O00A Rb02 O8 53.2(6) 8_455 6_445 ?
O00A Rb02 O8 53.2(6) 10_554 12_455 ?
O00A Rb02 O8 129.8(6) 10_554 . ?
O00A Rb02 O8 55.9(6) 3_444 12_455 ?
O00A Rb02 O8 55.9(6) 8_455 . ?
O00A Rb02 O8 129.8(6) 8_455 12_455 ?
O00A Rb02 O8 129.8(6) 3_444 6_445 ?
O00A Rb02 O8 55.9(6) 10_554 6_445 ?
O8 Rb02 O8 97.5(8) 6_445 12_455 ?
O8 Rb02 O8 97.5(8) . 12_455 ?
O8 Rb02 O8 97.5(8) . 6_445 ?
O9 Rb02 O007 145.1(6) 12_455 6_445 ?
O9 Rb02 O007 119.0(6) 12_455 . ?
O9 Rb02 O007 119.0(6) . 6_445 ?
O9 Rb02 O007 119.1(7) . . ?
O9 Rb02 O007 145.1(6) . 12_455 ?
O9 Rb02 O007 119.1(7) 12_455 12_455 ?
O9 Rb02 O007 119.1(7) 6_445 6_445 ?
O9 Rb02 O007 119.0(6) 6_445 12_455 ?
O9 Rb02 O007 145.1(6) 6_445 . ?
O9 Rb02 O00A 74.5(7) 12_455 3_444 ?
O9 Rb02 O00A 81.7(6) 6_445 3_444 ?
O9 Rb02 O00A 53.7(6) 6_445 8_455 ?
O9 Rb02 O00A 53.7(6) . 3_444 ?
O9 Rb02 O00A 81.7(6) . 10_554 ?
O9 Rb02 O00A 53.7(6) 12_455 10_554 ?
O9 Rb02 O00A 81.7(6) 12_455 8_455 ?
O9 Rb02 O00A 74.5(7) . 8_455 ?
O9 Rb02 O00A 74.5(7) 6_445 10_554 ?
O9 Rb02 O8 57.9(9) . 12_455 ?
O9 Rb02 O8 76.1(8) 12_455 . ?
O9 Rb02 O8 57.9(9) 12_455 6_445 ?
O9 Rb02 O8 49.0(8) 6_445 6_445 ?
O9 Rb02 O8 76.1(8) . 6_445 ?
O9 Rb02 O8 49.0(8) . . ?
O9 Rb02 O8 49.0(8) 12_455 12_455 ?
O9 Rb02 O8 57.9(9) 6_445 . ?
O9 Rb02 O8 76.1(8) 6_445 12_455 ?
O9 Rb02 O9 28.6(9) 6_445 12_455 ?
O9 Rb02 O9 28.6(9) . 6_445 ?
O9 Rb02 O9 28.6(9) . 12_455 ?
N009 O003 Eu01 97.3(6) . . ?
N00B O004 Eu01 97.0(6) . . ?
N009 O005 Eu01 96.9(5) . . ?
N00B O006 Eu01 98.2(6) . . ?
N009 O007 Rb02 176.8(9) . . ?
C00D N008 C00D 111.2(8) . 7_445 ?
C00D N008 C00D 111.2(8) 10_444 7_445 ?
C00D N008 C00D 111.2(8) . 10_444 ?
C00D N008 C00F 107.6(9) 10_444 . ?
C00D N008 C00F 107.6(9) . . ?
C00D N008 C00F 107.6(9) 7_445 . ?
O003 N009 Eu01 58.1(4) . . ?
O005 N009 Eu01 58.6(5) . . ?
O005 N009 O003 116.7(8) . . ?
O007 N009 Eu01 178.2(8) . . ?
O007 N009 O003 121.3(10) . . ?
O007 N009 O005 122.0(10) . . ?
N00B O00A Rb02 159.7(9) . 3_454 ?
O004 N00B Eu01 58.5(5) . . ?
O006 N00B Eu01 57.9(5) . . ?
O006 N00B O004 116.3(8) . . ?
O00A N00B Eu01 179.1(9) . . ?
O00A N00B O004 120.8(10) . . ?
O00A N00B O006 122.9(11) . . ?
C00E C00C H00C 111.4 7_445 . ?
C00E C00C H00C 111.4 10_444 . ?
C00E C00C H00C 111.4 . . ?
C00E C00C C00E 107.5(9) 10_444 . ?
C00E C00C C00E 107.5(9) 7_445 . ?
C00E C00C C00E 107.5(9) 10_444 7_445 ?
N008 C00D H00A 110.0 . . ?
N008 C00D H00B 110.0 . . ?
N008 C00D C00E 108.6(12) . . ?
H00A C00D H00B 108.4 . . ?
C00E C00D H00A 110.0 . . ?
C00E C00D H00B 110.0 . . ?
C00C C00E H00E 104.5 . . ?
C00D C00E C00C 110.1(11) . . ?
C00D C00E H00E 104.5 . . ?
O8 C00E C00C 110.1(17) . . ?
O8 C00E C00D 121.5(19) . . ?
O8 C00E H00E 104.5 . . ?
N008 C00F H00D 109.5 . . ?
N008 C00F H00F 109.5 . . ?
N008 C00F H00G 109.5 . . ?
H00D C00F H00F 109.5 . . ?
H00D C00F H00G 109.5 . . ?
H00F C00F H00G 109.5 . . ?
Rb02 O8 H8 81(6) . . ?
C00E O8 Rb02 128(2) . . ?
C00E O8 H8 92(3) . . ?
C1 C1 C1 59.999(2) 6_445 12_455 ?
C3 C1 C1 95.0(16) . 6_445 ?
C3 C1 C1 91.8(17) . 12_455 ?
C2 C1 C1 160(3) . 12_455 ?
C2 C1 C1 107(4) . 6_445 ?
C2 C1 C3 106(3) . . ?
C1 C3 C3 87.8(16) . 12_455 ?
C1 C3 C3 84.9(16) . 6_445 ?
C1 C3 O9 155(2) . . ?
C3 C3 C3 60.000(1) 6_445 12_455 ?
O9 C3 C3 67.8(14) . 12_455 ?
O9 C3 C3 84.9(12) . 6_445 ?
C3 O9 Rb02 153(2) . . ?
O9 O9 Rb02 75.7(4) 12_455 . ?
O9 O9 Rb02 75.7(4) 6_445 . ?
O9 O9 C3 103.8(13) 12_455 . ?
O9 O9 C3 81(2) 6_445 . ?
O9 O9 O9 60.002(3) 6_445 12_455 ?

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 O003 N009 O005 1.4(10) . . . . ?
Eu01 O003 N009 O007 -178.0(8) . . . . ?
Eu01 O004 N00B O006 -2.9(10) . . . . ?
Eu01 O004 N00B O00A 179.3(10) . . . . ?
Eu01 O005 N009 O003 -1.4(10) . . . . ?
Eu01 O005 N009 O007 178.0(9) . . . . ?
Eu01 O006 N00B O004 3.0(10) . . . . ?
Eu01 O006 N00B O00A -179.3(10) . . . . ?
Rb02 O00A N00B O004 24(3) 3_454 . . . ?
Rb02 O00A N00B O006 -154(2) 3_454 . . . ?
N008 C00D C00E C00C 6.7(17) . . . . ?
N008 C00D C00E O8 -124(2) . . . . ?
C00C C00E O8 Rb02 154.3(14) . . . . ?
C00D N008 C00D C00E 58.3(15) 7_445 . . . ?
C00D N008 C00D C00E -66.3(15) 10_444 . . . ?
C00D C00E O8 Rb02 -75(3) . . . . ?
C00E C00C C00E C00D -61.7(13) 7_445 . . . ?
C00E C00C C00E C00D 53.7(15) 10_444 . . . ?
C00E C00C C00E O8 75(3) 7_445 . . . ?
C00E C00C C00E O8 -170(2) 10_444 . . . ?
C00F N008 C00D C00E 176.0(10) . . . . ?
C1 C1 C3 C3 -64(3) 12_455 . . 6_445 ?
C1 C1 C3 C3 56(3) 6_445 . . 12_455 ?
C1 C1 C3 C3 -4(3) 6_445 . . 6_445 ?
C1 C1 C3 C3 -4(3) 12_455 . . 12_455 ?
C1 C1 C3 O9 1(7) 12_455 . . . ?
C1 C1 C3 O9 61(7) 6_445 . . . ?
C1 C3 O9 Rb02 -129(6) . . . . ?
C1 C3 O9 O9 -99(7) . . . 6_445 ?
C1 C3 O9 O9 -43(7) . . . 12_455 ?
C3 C3 O9 Rb02 -122(4) 12_455 . . . ?
C3 C3 O9 Rb02 -63(4) 6_445 . . . ?
C3 C3 O9 O9 23(3) 6_445 . . 12_455 ?
C3 C3 O9 O9 -37(3) 12_455 . . 12_455 ?
C3 C3 O9 O9 -93(2) 12_455 . . 6_445 ?
C3 C3 O9 O9 -33(2) 6_445 . . 6_445 ?
C2 C1 C3 C3 105(3) . . . 6_445 ?
C2 C1 C3 C3 165(3) . . . 12_455 ?
C2 C1 C3 O9 171(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form


_vrf_PLAT043_1                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      22.16 Check 
RESPONSE: ...The disordered organic cations were not modeled as the chemical sense.
;
_vrf_PLAT315_1                   
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).         C2 Check 
RESPONSE: ...The disordered organic cation was not modeled as the chemical sense.
;
_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02962 Ang.  
RESPONSE: ...This is due to the disorder.
;
_vrf_PLAT430_1                   
;
PROBLEM: Short Inter D...A Contact  O8       ..O9       .       2.65 Ang.   
RESPONSE: ...The H atoms was not modeled because of disorder.
;

# end Validation Reply Form

_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_yl200522_2_rt
_database_code_depnum_ccdc_archive 'CCDC 2096219'
loop_
_audit_author_name
_audit_author_address
'Chang-Feng Wang'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2021-07-15 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2021-01-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.33(C48 H120 Eu3 N24 O60 Rb3)'
_chemical_formula_sum            'C16 H34 Eu N8 O20 Rb'
_chemical_formula_weight         895.98
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O Eu Rb'
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'
Rb Rb -0.9393 2.9676 '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      trigonal
_space_group_IT_number           166
_space_group_name_H-M_alt        'R -3 m'
_space_group_name_Hall           '-R 3 2"'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'

_cell_length_a                   9.7075(7)
_cell_length_b                   9.7075(7)
_cell_length_c                   27.5091(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2245.0(4)
_cell_formula_units_Z            2.99988
_cell_measurement_reflns_used    2979
_cell_measurement_temperature    293
_cell_measurement_theta_max      25.7980
_cell_measurement_theta_min      2.2110
_shelx_estimated_absorpt_T_max   0.531
_shelx_estimated_absorpt_T_min   0.516
_exptl_absorpt_coefficient_mu    3.810
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37376
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.39a (Rigaku Oxford Diffraction, 2019)
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    1.988
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1338
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.892
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            6367
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.892
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.111
_diffrn_reflns_theta_min         2.221
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.892
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -19.00  35.00   0.50    1.00    --    2.16  79.00  70.00  108
  2  ω     -5.00  24.00   0.50    1.00    --   -2.71 -97.00 -63.00   58
  3  ω    -12.00  36.00   0.50    1.00    --    2.16 -99.00  90.00   96
  4  ω     -8.00  36.00   0.50    1.00    --    2.16 -99.00 -30.00   88
  5  ω    -16.00  14.00   0.50    1.00    --   -2.71 -99.00-120.00   60
  6  ω    -18.00  17.00   0.50    1.00    --   -2.71 -99.00   0.00   70
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0064078000
_diffrn_orient_matrix_UB_12      0.0648501000
_diffrn_orient_matrix_UB_13      0.0091508000
_diffrn_orient_matrix_UB_21      -0.0624796000
_diffrn_orient_matrix_UB_22      -0.0524947000
_diffrn_orient_matrix_UB_23      0.0155998000
_diffrn_orient_matrix_UB_31      0.0564556000
_diffrn_orient_matrix_UB_32      0.0124204000
_diffrn_orient_matrix_UB_33      0.0183626000
_diffrn_oxdiff_digest_frames     
;
017d9d08949278bfaf247be521f0b478fa00480e968
;
_diffrn_oxdiff_digest_hkl        
;
01e1cfd6b706e0143c0b5ef411f6759fe25572
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Mova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                681
_reflns_number_total             771
_reflns_odcompleteness_completeness 99.56
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.50
_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 1.171.40.39a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.39a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.39a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.457
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     66
_refine_ls_number_reflns         771
_refine_ls_number_restraints     40
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0577
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1149P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1436
_refine_ls_wR_factor_ref         0.1474
_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 C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C2-O1
 1.43 with sigma of 0.01
 O1-H1
 0.85 with sigma of 0.01
 C2-H1
 1.869225 with sigma of 0.02
 Rb1-H1
 3.500721 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C4) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C2) \\sim
Ueq, Uanis(C1) \\sim Ueq, Uanis(O1) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Others
 Sof(O4)=1-FVAR(1)
 Sof(O3)=FVAR(1)
 Fixed Sof: O1(0.16667) H1(0.16667) H2(0.5) H3A(0.5) H3B(0.5) H4C(0.5)
 H4B(0.5) H4A(0.5)
5.a Ternary CH refined with riding coordinates:
 C1(H1A), C2(H2)
5.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B)
5.c Idealised Me refined as rotating group:
 C4(H4C,H4B,H4A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.333333 0.666667 0.666667 0.0586(4) Uani 1 12 d S T P A .
Rb1 Rb 0.000000 0.000000 0.500000 0.0889(6) Uani 1 12 d DS T P . .
O1 O 0.370(2) 0.1850(12) 0.5045(8) 0.210(14) Uani 0.3333 2 d DS TU P . .
H1 H 0.407(2) 0.2034(12) 0.4755(9) 0.314 Uiso 0.3333 2 d DRS T P . .
O2 O 0.1284(5) 0.2567(10) 0.5782(3) 0.113(3) Uani 1 2 d S T P A .
O3 O 0.1697(9) 0.4894(9) 0.5949(2) 0.078(2) Uani 0.502(8) 1 d . . . A 1
O4 O 0.1106(9) 0.3893(10) 0.6396(3) 0.081(2) Uani 0.498(8) 1 d . . . A 2
N2 N 0.1880(4) 0.3760(9) 0.6034(2) 0.0794(17) Uani 1 2 d S T P . .
C1 C 0.666667 0.333333 0.5176(7) 0.106(5) Uani 1 6 d S TU P . .
H1A H 0.666665 0.333332 0.481947 0.127 Uiso 1 6 calc RS T P . .
C2 C 0.503(2) 0.2517(10) 0.5359(5) 0.156(5) Uani 1 2 d DS TU P . .
H2 H 0.503327 0.150711 0.535918 0.188 Uiso 0.5 1 calc R . . . .
C3 C 0.5006(14) 0.2503(7) 0.5902(4) 0.124(3) Uani 1 2 d S TU P . .
H3A H 0.445319 0.303700 0.602028 0.149 Uiso 0.5 1 calc R . . . .
H3B H 0.445319 0.141619 0.602028 0.149 Uiso 0.5 1 calc R . . . .
C4 C 0.666667 0.333333 0.6599(6) 0.130(7) Uani 1 6 d S TU P . .
H4C H 0.584594 0.352639 0.671488 0.196 Uiso 0.5 1 calc GR . . B -1
H4B H 0.768045 0.415406 0.671488 0.196 Uiso 0.5 1 calc GR . . B -1
H4A H 0.647361 0.231955 0.671488 0.196 Uiso 0.5 1 calc GR . . B -1
N1 N 0.666667 0.333333 0.6078(4) 0.071(2) Uani 1 6 d S TU P . .


_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 O3 2.579(7) 11_566 ?
Eu1 O3 2.579(7) 3_565 ?
Eu1 O3 2.579(7) 27_556 ?
Eu1 O3 2.579(7) 26_456 ?
Eu1 O3 2.579(7) 2_665 ?
Eu1 O3 2.579(7) . ?
Eu1 O3 2.579(7) 23 ?
Eu1 O3 2.579(7) 25_566 ?
Eu1 O3 2.579(7) 22_665 ?
Eu1 O3 2.579(7) 10_456 ?
Eu1 O3 2.579(7) 12_556 ?
Eu1 O3 2.579(7) 24_565 ?
Rb1 O1 3.11(2) 19_556 ?
Rb1 O1 3.11(2) 2 ?
Rb1 O1 3.11(2) 20_556 ?
Rb1 O1 3.11(2) 3 ?
Rb1 O1 3.11(2) 21_556 ?
Rb1 O1 3.11(2) . ?
Rb1 O2 3.047(7) 19_556 ?
Rb1 O2 3.047(7) 21_556 ?
Rb1 O2 3.047(7) 3 ?
Rb1 O2 3.047(7) . ?
Rb1 O2 3.047(7) 20_556 ?
Rb1 O2 3.047(7) 2 ?
O1 H1 0.856(10) . ?
O1 C2 1.415(10) . ?
O2 N2 1.219(12) . ?
O3 N2 1.222(10) . ?
O4 O4 1.749(14) 10_456 ?
O4 N2 1.294(9) . ?
C1 H1A 0.9800 . ?
C1 C2 1.463(19) 3_665 ?
C1 C2 1.463(19) . ?
C1 C2 1.463(19) 2_655 ?
C2 H2 0.9800 24 ?
C2 H2 0.9800 . ?
C2 C3 1.493(15) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 N1 1.478(12) . ?
C4 H4C 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4A 0.9600 . ?
C4 N1 1.431(19) . ?

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
O3 Eu1 O3 42.1(4) 11_566 26_456 ?
O3 Eu1 O3 32.8(4) 22_665 2_665 ?
O3 Eu1 O3 180.0(4) 10_456 22_665 ?
O3 Eu1 O3 147.2(4) 11_566 . ?
O3 Eu1 O3 147.2(4) 12_556 3_565 ?
O3 Eu1 O3 112.3(3) 26_456 . ?
O3 Eu1 O3 67.7(3) . 2_665 ?
O3 Eu1 O3 32.8(4) 11_566 25_566 ?
O3 Eu1 O3 100.2(3) 11_566 3_565 ?
O3 Eu1 O3 67.7(3) 26_456 25_566 ?
O3 Eu1 O3 112.3(3) 11_566 22_665 ?
O3 Eu1 O3 180.0 . 25_566 ?
O3 Eu1 O3 67.7(3) 24_565 22_665 ?
O3 Eu1 O3 67.7(3) 11_566 10_456 ?
O3 Eu1 O3 112.3(3) 27_556 2_665 ?
O3 Eu1 O3 32.8(4) 26_456 10_456 ?
O3 Eu1 O3 147.2(4) 27_556 24_565 ?
O3 Eu1 O3 100.2(3) . 10_456 ?
O3 Eu1 O3 67.7(3) . 3_565 ?
O3 Eu1 O3 79.8(3) 25_566 10_456 ?
O3 Eu1 O3 79.8(3) 23 3_565 ?
O3 Eu1 O3 67.7(3) 11_566 12_556 ?
O3 Eu1 O3 79.8(3) . 22_665 ?
O3 Eu1 O3 79.8(3) 26_456 12_556 ?
O3 Eu1 O3 137.9(4) 27_556 22_665 ?
O3 Eu1 O3 137.9(4) . 12_556 ?
O3 Eu1 O3 137.9(4) 11_566 2_665 ?
O3 Eu1 O3 42.1(4) 25_566 12_556 ?
O3 Eu1 O3 147.2(4) 10_456 2_665 ?
O3 Eu1 O3 67.7(3) 10_456 12_556 ?
O3 Eu1 O3 79.8(3) 24_565 2_665 ?
O3 Eu1 O3 79.8(3) 11_566 27_556 ?
O3 Eu1 O3 180.0 12_556 24_565 ?
O3 Eu1 O3 67.7(3) 26_456 27_556 ?
O3 Eu1 O3 67.7(3) 23 24_565 ?
O3 Eu1 O3 112.3(3) . 27_556 ?
O3 Eu1 O3 112.3(3) 26_456 3_565 ?
O3 Eu1 O3 67.7(3) 25_566 27_556 ?
O3 Eu1 O3 137.9(4) 10_456 3_565 ?
O3 Eu1 O3 42.1(4) 10_456 27_556 ?
O3 Eu1 O3 180.0(4) 27_556 3_565 ?
O3 Eu1 O3 32.8(4) 12_556 27_556 ?
O3 Eu1 O3 32.8(4) 24_565 3_565 ?
O3 Eu1 O3 180.0 11_566 23 ?
O3 Eu1 O3 147.2(4) 26_456 22_665 ?
O3 Eu1 O3 137.9(4) 26_456 23 ?
O3 Eu1 O3 100.2(3) 25_566 22_665 ?
O3 Eu1 O3 32.8(4) . 23 ?
O3 Eu1 O3 112.3(3) 12_556 22_665 ?
O3 Eu1 O3 147.2(4) 25_566 23 ?
O3 Eu1 O3 67.7(3) 23 22_665 ?
O3 Eu1 O3 112.3(3) 10_456 23 ?
O3 Eu1 O3 42.1(4) 3_565 22_665 ?
O3 Eu1 O3 112.3(3) 12_556 23 ?
O3 Eu1 O3 180.0 26_456 2_665 ?
O3 Eu1 O3 100.2(3) 27_556 23 ?
O3 Eu1 O3 112.3(3) 25_566 2_665 ?
O3 Eu1 O3 112.3(3) 11_566 24_565 ?
O3 Eu1 O3 100.2(3) 12_556 2_665 ?
O3 Eu1 O3 100.2(3) 26_456 24_565 ?
O3 Eu1 O3 42.1(4) 23 2_665 ?
O3 Eu1 O3 42.1(4) . 24_565 ?
O3 Eu1 O3 67.7(3) 3_565 2_665 ?
O3 Eu1 O3 137.9(4) 25_566 24_565 ?
O3 Eu1 O3 112.3(3) 10_456 24_565 ?
O3 Eu1 O3 112.3(3) 25_566 3_565 ?
O1 Rb1 O1 119.84(6) 19_556 21_556 ?
O1 Rb1 O1 60.16(6) . 20_556 ?
O1 Rb1 O1 119.84(6) . 2 ?
O1 Rb1 O1 180.0 3 21_556 ?
O1 Rb1 O1 119.84(6) 3 2 ?
O1 Rb1 O1 180.0 19_556 . ?
O1 Rb1 O1 119.84(6) 21_556 20_556 ?
O1 Rb1 O1 119.84(6) 3 . ?
O1 Rb1 O1 60.16(6) 19_556 2 ?
O1 Rb1 O1 60.16(6) 21_556 . ?
O1 Rb1 O1 60.16(6) 21_556 2 ?
O1 Rb1 O1 119.84(6) 19_556 20_556 ?
O1 Rb1 O1 180.0 20_556 2 ?
O1 Rb1 O1 60.16(6) 3 20_556 ?
O1 Rb1 O1 60.16(6) 19_556 3 ?
O2 Rb1 O1 67.5(3) 19_556 19_556 ?
O2 Rb1 O1 67.5(3) 2 2 ?
O2 Rb1 O1 112.5(3) . 20_556 ?
O2 Rb1 O1 112.5(3) . 19_556 ?
O2 Rb1 O1 47.2(5) 20_556 . ?
O2 Rb1 O1 132.8(5) 20_556 19_556 ?
O2 Rb1 O1 47.2(5) 3 20_556 ?
O2 Rb1 O1 47.2(5) 2 19_556 ?
O2 Rb1 O1 112.5(3) 19_556 . ?
O2 Rb1 O1 67.5(3) 21_556 19_556 ?
O2 Rb1 O1 67.5(3) 3 . ?
O2 Rb1 O1 112.5(3) 3 19_556 ?
O2 Rb1 O1 112.5(3) 2 20_556 ?
O2 Rb1 O1 47.2(5) 19_556 3 ?
O2 Rb1 O1 67.5(3) . 2 ?
O2 Rb1 O1 132.8(5) . 3 ?
O2 Rb1 O1 132.8(5) 3 2 ?
O2 Rb1 O1 112.5(3) 20_556 3 ?
O2 Rb1 O1 67.5(3) . . ?
O2 Rb1 O1 67.5(3) 2 3 ?
O2 Rb1 O1 132.8(5) 2 . ?
O2 Rb1 O1 112.5(3) 21_556 3 ?
O2 Rb1 O1 67.5(3) 19_556 20_556 ?
O2 Rb1 O1 67.5(3) 3 3 ?
O2 Rb1 O1 67.5(3) 20_556 20_556 ?
O2 Rb1 O1 132.8(5) 19_556 21_556 ?
O2 Rb1 O1 132.8(5) 21_556 20_556 ?
O2 Rb1 O1 47.2(5) . 21_556 ?
O2 Rb1 O1 112.5(3) 19_556 2 ?
O2 Rb1 O1 67.5(3) 20_556 21_556 ?
O2 Rb1 O1 112.5(3) 20_556 2 ?
O2 Rb1 O1 112.5(3) 2 21_556 ?
O2 Rb1 O1 47.2(5) 21_556 2 ?
O2 Rb1 O1 67.5(3) 21_556 21_556 ?
O2 Rb1 O1 112.5(3) 3 21_556 ?
O2 Rb1 O1 112.5(3) 21_556 . ?
O2 Rb1 O2 104.3(3) . 21_556 ?
O2 Rb1 O2 104.3(3) 2 21_556 ?
O2 Rb1 O2 75.7(3) 2 3 ?
O2 Rb1 O2 75.7(3) 20_556 21_556 ?
O2 Rb1 O2 75.7(3) . 3 ?
O2 Rb1 O2 180.0(2) 21_556 3 ?
O2 Rb1 O2 180.0 20_556 2 ?
O2 Rb1 O2 180.0 19_556 . ?
O2 Rb1 O2 104.3(3) 19_556 3 ?
O2 Rb1 O2 104.3(3) 19_556 2 ?
O2 Rb1 O2 104.3(3) 20_556 3 ?
O2 Rb1 O2 75.7(3) . 2 ?
O2 Rb1 O2 75.7(3) 19_556 21_556 ?
O2 Rb1 O2 75.7(3) 19_556 20_556 ?
O2 Rb1 O2 104.3(3) . 20_556 ?
Rb1 O1 H1 108.9(17) . . ?
C2 O1 Rb1 144.7(15) . . ?
C2 O1 H1 106(2) . . ?
N2 O2 Rb1 169.8(7) . . ?
N2 O3 Eu1 97.9(5) . . ?
O4 O4 Eu1 70.19(16) 10_456 . ?
N2 O4 Eu1 95.8(5) . . ?
N2 O4 O4 165.0(5) . 10_456 ?
O2 N2 Eu1 179.2(6) . . ?
O2 N2 O3 122.2(6) . . ?
O2 N2 O3 122.2(6) . 23 ?
O2 N2 O4 120.7(7) . . ?
O2 N2 O4 120.7(7) . 23 ?
O3 N2 Eu1 58.3(4) . . ?
O3 N2 Eu1 58.3(4) 23 . ?
O3 N2 O3 73.1(8) 23 . ?
O3 N2 O4 72.8(6) 23 23 ?
O3 N2 O4 117.1(7) . 23 ?
O4 N2 Eu1 58.8(4) . . ?
O4 N2 Eu1 58.8(4) 23 . ?
O4 N2 O4 78.2(8) 23 . ?
C2 C1 H1A 110.2 3_665 . ?
C2 C1 H1A 110.2 . . ?
C2 C1 H1A 110.2 2_655 . ?
C2 C1 C2 108.8(10) 2_655 . ?
C2 C1 C2 108.8(10) . 3_665 ?
C2 C1 C2 108.8(10) 2_655 3_665 ?
O1 C2 C1 122.2(15) . . ?
O1 C2 H2 89.998(8) . 24 ?
O1 C2 H2 90.0 . . ?
O1 C2 C3 126.7(16) . . ?
C1 C2 H2 90.0 . . ?
C1 C2 H2 90.00(2) . 24 ?
C1 C2 C3 111.1(13) . . ?
H2 C2 H2 180.0 . 24 ?
C3 C2 H2 90.0 . . ?
C3 C2 H2 90.002(2) . 24 ?
C2 C3 H3A 110.0 . . ?
C2 C3 H3B 110.0 . . ?
H3A C3 H3B 108.4 . . ?
N1 C3 C2 108.3(11) . . ?
N1 C3 H3A 110.0 . . ?
N1 C3 H3B 110.0 . . ?
H4C C4 H4B 109.5 . . ?
H4C C4 H4A 109.5 . . ?
H4B C4 H4A 109.5 . . ?
N1 C4 H4C 109.5 . . ?
N1 C4 H4B 109.5 . . ?
N1 C4 H4A 109.5 . . ?
C3 N1 C3 109.8(6) 2_655 3_665 ?
C3 N1 C3 109.8(6) 2_655 . ?
C3 N1 C3 109.8(6) 3_665 . ?
C4 N1 C3 109.2(6) . . ?
C4 N1 C3 109.1(6) . 3_665 ?
C4 N1 C3 109.1(6) . 2_655 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O3 N2 O2 179.3(5) . . . . ?
Eu1 O3 N2 O3 -62.8(5) . . . 23 ?
Eu1 O4 N2 O2 179.3(5) . . . . ?
Eu1 O4 N2 O4 60.5(6) . . . 23 ?
Rb1 O1 C2 C1 180.000(5) . . . . ?
Rb1 O1 C2 C3 0.000(8) . . . . ?
Rb1 O2 N2 O3 -44.7(6) . . . 23 ?
Rb1 O2 N2 O3 44.7(6) . . . . ?
Rb1 O2 N2 O4 132.8(6) . . . . ?
Rb1 O2 N2 O4 -132.8(6) . . . 23 ?
O1 C2 C3 N1 180.000(5) . . . . ?
O4 O4 N2 Eu1 -21(3) 10_456 . . . ?
O4 O4 N2 O2 159(3) 10_456 . . . ?
O4 O4 N2 O4 40(4) 10_456 . . 23 ?
C1 C2 C3 N1 0.000(2) . . . . ?
C2 C1 C2 O1 -120.9(11) 2_655 . . . ?
C2 C1 C2 O1 120.9(11) 3_665 . . . ?
C2 C1 C2 C3 59.1(11) 2_655 . . . ?
C2 C1 C2 C3 -59.1(11) 3_665 . . . ?
C2 C3 N1 C3 60.4(7) . . . 3_665 ?
C2 C3 N1 C3 -60.4(7) . . . 2_655 ?
C2 C3 N1 C4 180.000(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 1.959
_oxdiff_exptl_absorpt_empirical_full_min 0.586
_vrf_PLAT242_yl200522_2_rt       
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Rb1 Check 
RESPONSE: ...This is due to the disorder.
;
_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_wqw200522_2_rt
_database_code_depnum_ccdc_archive 'CCDC 2096218'
loop_
_audit_author_name
_audit_author_address
'Chang-Feng Wang'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2021-07-15 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2020-09-11
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Eu1 N6 O18 Rb1, 2(C8 H16 N1)'
_chemical_formula_sum            'C16 H32 Eu N8 O18 Rb'
_chemical_formula_weight         861.92
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N O Eu Rb'
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'
Rb Rb -0.9393 2.9676 '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      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   9.7309(2)
_cell_length_b                   9.7309(2)
_cell_length_c                   26.8130(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     2198.78(11)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    6843
_cell_measurement_temperature    293
_cell_measurement_theta_max      31.3170
_cell_measurement_theta_min      2.2650
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.881
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50784
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.39a (Rigaku Oxford Diffraction, 2019)
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    1.953
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1284
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0214
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.855
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            8291
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.855
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.618
_diffrn_reflns_theta_min         2.279
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -65.00  21.00   0.50    0.21    --    7.48 -15.00 115.00  172
  2  ω    -61.00   4.00   0.50    0.21    --    7.48 -78.00  41.00  130
  3  ω     10.00  35.00   0.50    0.21    --    7.48 -99.00 -60.00   50
  4  ω    -15.00  64.00   0.50    0.21    --   -7.87  37.00 -60.00  158
  5  ω     19.00  44.00   0.50    0.21    --   -7.87  37.00-150.00   50
  6  ω    -25.00  15.00   0.50    0.21    --   -7.87 -86.00-147.00   80
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0175230000
_diffrn_orient_matrix_UB_12      -0.0151678000
_diffrn_orient_matrix_UB_13      -0.0257720000
_diffrn_orient_matrix_UB_21      0.0692414000
_diffrn_orient_matrix_UB_22      -0.0058179000
_diffrn_orient_matrix_UB_23      -0.0033214000
_diffrn_orient_matrix_UB_31      -0.0445552000
_diffrn_orient_matrix_UB_32      -0.0825675000
_diffrn_orient_matrix_UB_33      0.0049601000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Mova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1405
_reflns_number_total             1415
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.50
_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 1.171.40.39a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.39a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.39a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.725
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1415
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0202
_refine_ls_restrained_S_all      1.109
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0238P)²+2.1682P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0490
_refine_ls_wR_factor_ref         0.0491
_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 C(H,H,H) groups
2. Restrained distances
 O2-N007 \\sim O2A-N007 \\sim O1-N007 \\sim O1A-N007
 with sigma of 0.02
3. Others
 Sof(O2A)=Sof(O1A)=1-FVAR(1)
 Sof(O1)=Sof(O2)=FVAR(1)
 Fixed Sof: H00C(0.33333) H00D(0.33333) H00E(0.33333)
4.a Ternary CH refined with riding coordinates:
 C00B(H00H)
4.b Secondary CH2 refined with riding coordinates:
 C008(H00A,H00B), C00A(H00F,H00G)
4.c Idealised Me refined as rotating group:
 C009(H00C,H00D,H00E)
;
_atom_sites_solution_hydrogens   geom
_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 0.666667 0.333333 0.333333 0.02320(7) Uani 1 6 d S T P B .
Rb02 Rb 0.333333 0.666667 0.166667 0.03628(11) Uani 1 6 d S T P . .
N004 N 0.000000 0.000000 0.27885(10) 0.0319(5) Uani 1 3 d S T P . .
O005 O 0.4369(3) 0.5058(3) 0.23900(7) 0.0609(5) Uani 1 1 d . . . . .
N007 N 0.5028(2) 0.4570(2) 0.26689(6) 0.0356(4) Uani 1 1 d D . . . .
C008 C 0.0392(3) 0.1601(3) 0.26019(10) 0.0558(6) Uani 1 1 d . . . . .
H00A H 0.142063 0.239702 0.272783 0.067 Uiso 1 1 calc R U . . .
H00B H -0.039522 0.185965 0.271862 0.067 Uiso 1 1 calc R U . . .
C009 C 0.000000 0.000000 0.33467(16) 0.0786(17) Uani 1 3 d S T P . .
H00C H -0.069868 0.035707 0.346602 0.118 Uiso 0.3333 1 calc R U P A -1
H00D H 0.105575 0.069868 0.346602 0.118 Uiso 0.3333 1 calc R U P A -1
H00E H -0.035707 -0.105575 0.346602 0.118 Uiso 0.3333 1 calc R U P A -1
C00A C 0.0416(6) 0.1593(4) 0.20391(12) 0.0974(13) Uani 1 1 d . . . . .
H00F H -0.033679 0.188562 0.191205 0.117 Uiso 1 1 calc R U . . .
H00G H 0.146379 0.237121 0.192140 0.117 Uiso 1 1 calc R U . . .
C00B C 0.000000 0.000000 0.18486(17) 0.0775(17) Uani 1 3 d S T P . .
H00H H 0.000000 -0.000001 0.148311 0.093 Uiso 1 3 calc R U P . .
O1 O 0.6433(2) 0.4904(2) 0.25973(7) 0.0380(5) Uani 0.741(3) 1 d D . P B 1
O2 O 0.4323(2) 0.3697(2) 0.30427(7) 0.0395(5) Uani 0.741(3) 1 d D . P B 1
O2A O 0.5828(7) 0.5350(6) 0.30521(19) 0.0401(14) Uani 0.259(3) 1 d D . P B 2
O1A O 0.4907(7) 0.3251(6) 0.2593(2) 0.0392(14) Uani 0.259(3) 1 d D . 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 O1 2.5749(18) . ?
Eu01 O1 2.5749(18) 16_655 ?
Eu01 O1 2.5749(18) 17 ?
Eu01 O1 2.5749(18) 2_655 ?
Eu01 O1 2.5749(18) 3_665 ?
Eu01 O1 2.5749(18) 18_545 ?
Eu01 O2A 2.586(5) 18_545 ?
Eu01 O2A 2.586(5) 3_665 ?
Eu01 O2A 2.586(5) 16_655 ?
Eu01 O2A 2.586(5) 2_655 ?
Eu01 O2A 2.586(5) 17 ?
Eu01 O2A 2.586(5) . ?
Rb02 O005 2.9672(16) 3_565 ?
Rb02 O005 2.9672(16) 2_665 ?
Rb02 O005 2.9673(16) . ?
Rb02 O005 2.9672(16) 14_455 ?
Rb02 O005 2.9672(16) 15 ?
Rb02 O005 2.9673(16) 13_565 ?
N004 C008 1.493(2) 2 ?
N004 C008 1.493(2) 3 ?
N004 C008 1.493(2) . ?
N004 C009 1.497(5) . ?
O005 N007 1.225(2) . ?
N007 O1 1.252(3) . ?
N007 O2 1.271(2) . ?
N007 O2A 1.283(5) . ?
N007 O1A 1.247(5) . ?
C008 H00A 0.9700 . ?
C008 H00B 0.9700 . ?
C008 C00A 1.509(4) . ?
C009 H00C 0.9600 . ?
C009 H00D 0.9600 . ?
C009 H00E 0.9600 . ?
C00A H00F 0.9700 . ?
C00A H00G 0.9700 . ?
C00A C00B 1.484(4) . ?
C00B H00H 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
O1 Eu01 O1 67.59(7) . 3_665 ?
O1 Eu01 O1 112.41(7) 3_665 16_655 ?
O1 Eu01 O1 112.41(7) . 17 ?
O1 Eu01 O1 67.59(7) 16_655 17 ?
O1 Eu01 O1 112.41(7) 2_655 16_655 ?
O1 Eu01 O1 67.59(7) 16_655 18_545 ?
O1 Eu01 O1 67.59(7) . 2_655 ?
O1 Eu01 O1 180.0 2_655 17 ?
O1 Eu01 O1 112.41(7) . 18_545 ?
O1 Eu01 O1 180.00(15) 3_665 18_545 ?
O1 Eu01 O1 67.59(7) 3_665 2_655 ?
O1 Eu01 O1 112.41(7) 2_655 18_545 ?
O1 Eu01 O1 112.41(7) 3_665 17 ?
O1 Eu01 O1 180.0 . 16_655 ?
O1 Eu01 O1 67.59(7) 17 18_545 ?
O1 Eu01 O2A 90.63(12) . 18_545 ?
O1 Eu01 O2A 145.99(13) . 16_655 ?
O1 Eu01 O2A 89.37(12) 17 16_655 ?
O1 Eu01 O2A 80.24(14) 16_655 2_655 ?
O1 Eu01 O2A 90.63(12) 2_655 16_655 ?
O1 Eu01 O2A 80.24(14) . 17 ?
O1 Eu01 O2A 145.99(13) 17 2_655 ?
O1 Eu01 O2A 99.76(14) . 2_655 ?
O1 Eu01 O2A 99.77(14) 17 18_545 ?
O1 Eu01 O2A 80.24(14) 17 3_665 ?
O1 Eu01 O2A 34.01(13) 18_545 18_545 ?
O1 Eu01 O2A 34.01(13) 2_655 2_655 ?
O1 Eu01 O2A 89.36(12) . 3_665 ?
O1 Eu01 O2A 145.99(13) 2_655 17 ?
O1 Eu01 O2A 89.37(12) 16_655 18_545 ?
O1 Eu01 O2A 99.76(14) 16_655 17 ?
O1 Eu01 O2A 34.01(13) 17 17 ?
O1 Eu01 O2A 90.64(12) 18_545 2_655 ?
O1 Eu01 O2A 90.64(12) 16_655 3_665 ?
O1 Eu01 O2A 80.24(14) 3_665 16_655 ?
O1 Eu01 O2A 90.63(12) 3_665 17 ?
O1 Eu01 O2A 34.01(13) 16_655 16_655 ?
O1 Eu01 O2A 89.36(12) 3_665 2_655 ?
O1 Eu01 O2A 99.76(14) 18_545 16_655 ?
O1 Eu01 O2A 145.99(13) 18_545 3_665 ?
O1 Eu01 O2A 89.37(12) 18_545 17 ?
O1 Eu01 O2A 80.24(14) 2_655 18_545 ?
O1 Eu01 O2A 145.99(13) 3_665 18_545 ?
O1 Eu01 O2A 34.01(13) 3_665 3_665 ?
O1 Eu01 O2A 99.76(14) 2_655 3_665 ?
O2A Eu01 O2A 111.87(11) 18_545 17 ?
O2A Eu01 O2A 68.13(11) 18_545 . ?
O2A Eu01 O2A 68.13(11) 3_665 17 ?
O2A Eu01 O2A 111.86(11) 2_655 . ?
O2A Eu01 O2A 180.0 16_655 . ?
O2A Eu01 O2A 111.87(11) 3_665 . ?
O2A Eu01 O2A 68.13(11) 17 . ?
O2A Eu01 O2A 180.0 18_545 3_665 ?
O005 Rb02 O005 81.91(6) 3_565 2_665 ?
O005 Rb02 O005 98.09(6) 2_665 15 ?
O005 Rb02 O005 98.09(6) 2_665 13_565 ?
O005 Rb02 O005 98.09(6) 14_455 . ?
O005 Rb02 O005 98.09(6) 3_565 13_565 ?
O005 Rb02 O005 180.0 . 13_565 ?
O005 Rb02 O005 81.91(6) 15 13_565 ?
O005 Rb02 O005 98.09(6) 15 . ?
O005 Rb02 O005 81.91(6) 2_665 . ?
O005 Rb02 O005 81.91(6) 15 14_455 ?
O005 Rb02 O005 98.09(6) 3_565 14_455 ?
O005 Rb02 O005 81.91(6) 14_455 13_565 ?
O005 Rb02 O005 180.0 3_565 15 ?
O005 Rb02 O005 180.0 2_665 14_455 ?
O005 Rb02 O005 81.91(6) 3_565 . ?
C008 N004 C008 109.36(14) 2 3 ?
C008 N004 C008 109.36(14) 2 . ?
C008 N004 C008 109.36(14) 3 . ?
C008 N004 C009 109.58(14) 2 . ?
C008 N004 C009 109.59(14) . . ?
C008 N004 C009 109.58(14) 3 . ?
N007 O005 Rb02 170.14(17) . . ?
O005 N007 Eu01 178.58(16) . . ?
O005 N007 O1 121.42(19) . . ?
O005 N007 O2 121.93(19) . . ?
O005 N007 O2A 122.7(3) . . ?
O005 N007 O1A 120.1(3) . . ?
O1 N007 Eu01 57.80(11) . . ?
O1 N007 O2 116.66(18) . . ?
O2 N007 Eu01 58.87(11) . . ?
O2A N007 Eu01 58.5(2) . . ?
O1A N007 Eu01 58.8(3) . . ?
O1A N007 O2A 117.2(4) . . ?
N004 C008 H00A 109.9 . . ?
N004 C008 H00B 109.9 . . ?
N004 C008 C00A 109.1(2) . . ?
H00A C008 H00B 108.3 . . ?
C00A C008 H00A 109.9 . . ?
C00A C008 H00B 109.9 . . ?
N004 C009 H00C 109.5 . . ?
N004 C009 H00D 109.5 . . ?
N004 C009 H00E 109.5 . . ?
H00C C009 H00D 109.5 . . ?
H00C C009 H00E 109.5 . . ?
H00D C009 H00E 109.5 . . ?
C008 C00A H00F 109.5 . . ?
C008 C00A H00G 109.5 . . ?
H00F C00A H00G 108.1 . . ?
C00B C00A C008 110.6(3) . . ?
C00B C00A H00F 109.5 . . ?
C00B C00A H00G 109.5 . . ?
C00A C00B C00A 108.8(2) . 2 ?
C00A C00B C00A 108.8(2) 2 3 ?
C00A C00B C00A 108.8(2) . 3 ?
C00A C00B H00H 110.1 . . ?
C00A C00B H00H 110.1 3 . ?
C00A C00B H00H 110.1 2 . ?
N007 O1 Eu01 97.91(13) . . ?
N007 O2 Eu01 96.36(13) . . ?
N007 O2A Eu01 96.5(3) . . ?
N007 O1A Eu01 97.0(3) . . ?

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
N004 C008 C00A C00B 1.6(4) . . . . ?
O005 N007 O1 Eu01 -178.61(19) . . . . ?
O005 N007 O2 Eu01 178.6(2) . . . . ?
O005 N007 O2A Eu01 -179.05(18) . . . . ?
O005 N007 O1A Eu01 179.02(17) . . . . ?
C008 N004 C008 C00A -60.8(3) 2 . . . ?
C008 N004 C008 C00A 58.9(3) 3 . . . ?
C008 C00A C00B C00A 58.2(3) . . . 2 ?
C008 C00A C00B C00A -60.2(3) . . . 3 ?
C009 N004 C008 C00A 179.0(2) . . . . ?
O1 N007 O2 Eu01 -1.0(2) . . . . ?
O2 N007 O1 Eu01 1.0(2) . . . . ?
O2A N007 O1A Eu01 -2.6(4) . . . . ?
O1A N007 O2A Eu01 2.6(4) . . . . ?

_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 1.551
_oxdiff_exptl_absorpt_empirical_full_min 0.761
_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_1_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2096220'
loop_
_audit_author_name
_audit_author_address
'Chang-Feng Wang'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2021-07-15 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2021-01-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.33(C192 H384 Eu12 N96 O240 Rb12)'
_chemical_formula_sum            'C64 H128 Eu4 N32 O80 Rb4'
_chemical_formula_weight         3575.73
_chemical_absolute_configuration R
_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'
Rb Rb -0.9393 2.9676 '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      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   20.3362(5)
_cell_length_b                   20.3362(5)
_cell_length_c                   24.9333(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     8930.0(5)
_cell_formula_units_Z            2.99997
_cell_measurement_reflns_used    16157
_cell_measurement_temperature    253
_cell_measurement_theta_max      28.5320
_cell_measurement_theta_min      1.9920
_shelx_estimated_absorpt_T_max   0.579
_shelx_estimated_absorpt_T_min   0.486
_exptl_absorpt_coefficient_mu    3.831
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.22081
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_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    1.995
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5328
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_unetI/netI     0.0701
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            26527
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.001
_diffrn_ambient_temperature      253
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          
;
_diffrn_ambient_temperature 253 
_diffrn_ambient_environment N₂
_diffrn_source 'micro-focus sealed X-ray tube'
_diffrn_source_type 'Mova (Mo) X-ray Source'
_diffrn_radiation_probe x-ray
_diffrn_radiation_type 'Mo Kα'
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_monochromator mirror
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'XtaLAB Synergy R, HyPix'
_diffrn_detector 'CCD plate'
_diffrn_detector_type HyPix
_diffrn_detector_area_resol_mean 10.0000
_diffrn_reflns_number 28960
_diffrn_reflns_av_R_equivalents 0.2042
_diffrn_reflns_av_sigmaI/netI 0.0470
;
_reflns_Friedel_coverage         0.975
_reflns_Friedel_fraction_full    0.986
_reflns_Friedel_fraction_max     0.974
_reflns_number_gt                8125
_reflns_number_total             8986
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.658
_refine_diff_density_min         -3.339
_refine_diff_density_rms         0.200
_refine_ls_abs_structure_details 
;
 Flack x determined using 3007 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.150(10)
_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     603
_refine_ls_number_reflns         8986
_refine_ls_number_restraints     265
_refine_ls_R_factor_all          0.1074
_refine_ls_R_factor_gt           0.0967
_refine_ls_restrained_S_all      1.113
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0097P)²+579.7079P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1839
_refine_ls_wR_factor_ref         0.1875
_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 C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C26) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C29)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq,
Uanis(C35) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(O61) \\sim Ueq, Uanis(O60)
\\sim Ueq, Uanis(O62) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C3AA) \\sim Ueq,
Uanis(C1AA) \\sim Ueq, Uanis(O38) \\sim Ueq, Uanis(O57) \\sim Ueq, Uanis(O59)
\\sim Ueq, Uanis(O2AA) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(O22) \\sim Ueq, Uanis(N0AA) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(O9)
\\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(O16) \\sim Ueq,
Uanis(O13) \\sim Ueq, Uanis(O32) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(O10)
\\sim Ueq, Uanis(N8) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(O2) \\sim Ueq,
Uanis(O14) \\sim Ueq, Uanis(O31) \\sim Ueq, Uanis(N12) \\sim Ueq, Uanis(O58)
\\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(N7) \\sim Ueq, Uanis(O12) \\sim Ueq,
Uanis(N6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C14) \\sim Ueq, Uanis(O35) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3. Others
 Fixed Sof: O35(0.33333) O38(0.33333) O57(0.33333) O2AA(0.33333) H13A(0.33333)
 H13B(0.33333) H13C(0.33333) O59(0.33333) O62(0.33333) O61(0.33333) O60(0.33333)
4.a Ternary CH refined with riding coordinates:
 C1(H1), C2(H2)
4.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C7(H7A,H7B), C12(H12A,H12B), C14(H14A,H14B)
4.c Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_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
Eu00 Eu 0.47187(6) -0.01426(7) 0.59858(5) 0.0442(3) Uani 1 1 d . . . . .
Eu02 Eu 0.000000 0.000000 0.56971(7) 0.0342(4) Uani 1 3 d S T P . .
Rb1 Rb 0.666667 0.333333 0.4457(2) 0.094(2) Uani 1 3 d S T P . .
Rb2 Rb 0.15379(16) -0.19419(11) 0.41729(16) 0.0651(7) Uani 1 1 d . . . . .
O1 O 0.0777(13) -0.0096(13) 0.4911(9) 0.057(6) Uani 1 1 d . . . . .
O0AA O -0.1111(14) -0.1288(13) 0.5981(9) 0.074(7) Uani 1 1 d . . . . .
O30 O 0.0893(17) 0.0749(18) 0.6490(11) 0.086(9) Uani 1 1 d . . . . .
O4 O 0.6079(11) 0.0273(10) 0.6320(8) 0.048(5) Uani 1 1 d . U . . .
O5 O 0.5546(11) -0.0245(11) 0.5220(7) 0.046(4) Uani 1 1 d . U . . .
N12 N 0.4045(17) -0.1477(18) 0.6729(12) 0.064(8) Uani 1 1 d . U . . .
O7 O 0.3373(13) -0.0477(12) 0.5658(9) 0.061(6) Uani 1 1 d . U . . .
O8 O 0.3918(14) -0.0024(15) 0.6744(10) 0.072(6) Uani 1 1 d . U . . .
O9 O 0.3931(11) -0.1008(12) 0.5217(8) 0.054(5) Uani 1 1 d . U . . .
O10 O 0.5750(11) 0.1177(10) 0.5612(8) 0.049(5) Uani 1 1 d . U . . .
O11 O 0.1136(11) 0.1282(12) 0.5405(8) 0.051(5) Uani 1 1 d . . . . .
O12 O 0.4388(12) 0.0886(11) 0.6168(8) 0.056(5) Uani 1 1 d . U . . .
O13 O 0.4738(11) 0.0607(11) 0.5138(8) 0.053(5) Uani 1 1 d . U . . .
O14 O 0.5547(12) 0.0732(13) 0.6741(9) 0.063(6) Uani 1 1 d . U . . .
O31 O 0.4714(13) -0.0851(14) 0.6835(9) 0.067(6) Uani 1 1 d . U . . .
O16 O 0.5051(13) -0.1179(12) 0.5747(9) 0.062(6) Uani 1 1 d . U . . .
N6 N -0.0835(15) -0.1402(17) 0.6377(12) 0.062(7) Uani 1 1 d . U . . .
N1 N 0.5482(14) -0.0844(17) 0.5361(11) 0.058(7) Uani 1 1 d . U . . .
O19 O 0.2454(18) -0.0500(14) 0.3553(12) 0.094(9) Uani 1 1 d . . . . .
N5 N 0.0591(12) -0.0781(15) 0.4998(9) 0.045(6) Uani 1 1 d . . . . .
O21 O 0.0872(14) -0.1104(12) 0.4761(9) 0.066(6) Uani 1 1 d . . . . .
O22 O 0.2811(14) -0.1233(14) 0.5002(10) 0.074(7) Uani 1 1 d . U . . .
N7 N 0.4019(12) 0.0587(13) 0.6582(9) 0.043(5) Uani 1 1 d . U . . .
O2 O 0.6669(12) 0.1053(12) 0.6996(10) 0.066(6) Uani 1 1 d . U . . .
O25 O 0.7162(16) 0.4633(14) 0.3704(8) 0.076(7) Uani 1 1 d . . . . .
N3 N 0.5374(15) 0.1162(14) 0.5200(9) 0.056(6) Uani 1 1 d . U . . .
O27 O 0.1183(15) -0.3058(13) 0.5150(8) 0.069(7) Uani 1 1 d . . . . .
N0AA N 0.3371(11) -0.0932(9) 0.5275(7) 0.032(4) Uani 1 1 d . U . . .
O29 O 0.2543(12) -0.2183(15) 0.3369(9) 0.072(7) Uani 1 1 d . . . . .
O32 O 0.5687(16) 0.1698(16) 0.4898(11) 0.089(8) Uani 1 1 d . U . . .
N8 N 0.6145(16) 0.0679(16) 0.6680(11) 0.065(7) Uani 1 1 d . U . . .
C1 C 0.333333 -0.333333 0.4372(14) 0.038(7) Uani 1 3 d S TU P . .
H1 H 0.333333 -0.333333 0.397475 0.045 Uiso 1 3 calc RS T P . .
C2 C 0.0717(17) -0.2149(17) 0.1977(13) 0.063(7) Uani 1 1 d . . . . .
H2 H 0.019339 -0.242109 0.212011 0.076 Uiso 1 1 calc R . . . .
N9 N 0.2091(12) -0.1442(14) 0.1656(11) 0.070(8) Uani 1 1 d . . . . .
C5 C 0.2130(18) -0.132(2) 0.2240(16) 0.089(12) Uani 1 1 d . . . . .
H5A H 0.232843 -0.077657 0.231956 0.107 Uiso 1 1 calc R . . . .
H5B H 0.245955 -0.147840 0.240942 0.107 Uiso 1 1 calc R . . . .
C7 C 0.170(2) -0.110(2) 0.1388(14) 0.081(11) Uani 1 1 d . . . . .
H7A H 0.173677 -0.113308 0.099861 0.097 Uiso 1 1 calc R . . . .
H7B H 0.194760 -0.055577 0.148133 0.097 Uiso 1 1 calc R . . . .
N11 N 0.333333 -0.333333 0.5403(17) 0.089(17) Uani 1 3 d S T P . .
C12 C 0.307(3) -0.284(2) 0.5191(15) 0.103(15) Uani 1 1 d . . . . .
H12A H 0.343178 -0.231435 0.528162 0.123 Uiso 1 1 calc R . . . .
H12B H 0.257966 -0.297478 0.535752 0.123 Uiso 1 1 calc R . . . .
C14 C 0.1738(19) -0.2279(17) 0.1506(14) 0.071(8) Uani 1 1 d . U . . .
H14A H 0.200982 -0.249843 0.168907 0.085 Uiso 1 1 calc R . . . .
H14B H 0.178495 -0.232583 0.111835 0.085 Uiso 1 1 calc R . . . .
C18 C 0.0797(19) -0.1497(16) 0.1552(18) 0.084(12) Uani 1 1 d . . . . .
C22 C 0.128(2) -0.181(2) 0.2448(14) 0.084(11) Uani 1 1 d . . . . .
O35 O 0.113(3) -0.232(3) 0.283(2) 0.060(14) Uani 0.3333 1 d . U . . .
C0AA C 0.691(3) 0.298(3) 0.613(2) 0.106(13) Uani 1 1 d . U . . .
C1AA C 0.745(6) 0.314(5) 0.689(4) 0.22(4) Uani 1 1 d . U . . .
O38 O 0.649(3) 0.288(3) 0.555(2) 0.053(13) Uani 0.3333 1 d . U . . .
C21 C 0.2903(18) -0.101(2) 0.1432(17) 0.094(13) Uani 1 1 d . . . . .
H21A H 0.309255 -0.047218 0.144895 0.140 Uiso 1 1 calc GR . . . .
H21B H 0.290098 -0.116333 0.106231 0.140 Uiso 1 1 calc GR . . . .
H21C H 0.322704 -0.113710 0.164378 0.140 Uiso 1 1 calc GR . . . .
C24 C 0.088(2) -0.272(3) 0.1669(18) 0.099(14) Uani 1 1 d . . . . .
C2AA C 0.297(2) -0.292(2) 0.4581(14) 0.083(11) Uani 1 1 d . . . . .
O57 O 0.037(4) -0.309(4) 0.133(2) 0.065(15) Uani 0.3333 1 d . U . . .
O58 O 0.3738(14) -0.1480(15) 0.6320(10) 0.073(7) Uani 1 1 d . U . . .
O2AA O 0.239(4) -0.300(4) 0.438(3) 0.076(17) Uani 0.3333 1 d . U . . .
C3AA C 0.680(4) 0.283(4) 0.677(3) 0.14(2) Uani 1 1 d . U . . .
C13 C 0.333333 -0.333333 0.601(2) 0.080(17) Uani 1 3 d S T P . .
H13A H 0.376835 -0.287026 0.613919 0.119 Uiso 0.3333 1 calc GR . . A -1
H13B H 0.336140 -0.376835 0.613919 0.119 Uiso 0.3333 1 calc GR . . A -1
H13C H 0.287026 -0.336140 0.613919 0.119 Uiso 0.3333 1 calc GR . . A -1
O59 O 0.057(4) -0.109(4) 0.176(3) 0.09(2) Uani 0.3333 1 d . U . . .
C26 C 0.051(3) -0.508(3) 0.3560(18) 0.101(13) Uani 1 1 d . U . . .
C29 C -0.063(5) -0.521(4) 0.366(3) 0.16(2) Uani 1 1 d . U . . .
C27 C 0.013(2) -0.491(2) 0.3097(15) 0.075(9) Uani 1 1 d . U . . .
C31 C -0.117(4) -0.539(4) 0.349(3) 0.15(2) Uani 1 1 d . U . . .
C34 C -0.006(3) -0.453(3) 0.392(2) 0.138(19) Uani 1 1 d . U . . .
C35 C 0.053(3) -0.391(3) 0.326(2) 0.124(17) Uani 1 1 d . U . . .
C25 C -0.019(3) -0.443(3) 0.296(2) 0.139(19) Uani 1 1 d . U . . .
C33 C 0.081(3) -0.423(3) 0.380(2) 0.124(17) Uani 1 1 d . U . . .
C32 C 0.029(3) -0.484(3) 0.258(2) 0.123(17) Uani 1 1 d . U . . .
O62 O 0.063(4) -0.323(4) 0.358(3) 0.075(17) Uani 0.3333 1 d . U . . .
O61 O 0.061(3) -0.357(3) 0.409(2) 0.052(12) Uani 0.3333 1 d . U . . .
O60 O 0.119(4) -0.334(4) 0.368(3) 0.073(17) Uani 0.3333 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu00 O4 2.59(2) . ?
Eu00 O5 2.620(19) . ?
Eu00 O7 2.60(2) . ?
Eu00 O8 2.58(2) . ?
Eu00 O9 2.55(2) . ?
Eu00 O10 2.615(18) . ?
Eu00 O12 2.54(2) . ?
Eu00 O13 2.595(18) . ?
Eu00 O14 2.56(2) . ?
Eu00 O31 2.56(2) . ?
Eu00 O16 2.58(2) . ?
Eu00 O58 2.58(2) . ?
Eu02 O1 2.59(2) . ?
Eu02 O1 2.59(2) 2 ?
Eu02 O1 2.59(2) 3 ?
Eu02 O0AA 2.56(2) 3 ?
Eu02 O0AA 2.56(2) 2 ?
Eu02 O0AA 2.56(2) . ?
Eu02 O30 2.60(3) . ?
Eu02 O30 2.60(3) 3 ?
Eu02 O30 2.60(3) 2 ?
Eu02 O11 2.58(2) 2 ?
Eu02 O11 2.58(2) . ?
Eu02 O11 2.58(2) 3 ?
Rb1 O25 2.976(18) 3_665 ?
Rb1 O25 2.976(18) 2_655 ?
Rb1 O25 2.976(18) . ?
Rb1 O32 3.10(3) . ?
Rb1 O32 3.10(3) 3_665 ?
Rb1 O32 3.10(3) 2_655 ?
Rb1 O38 2.85(5) 2_655 ?
Rb1 O38 2.85(5) 3_665 ?
Rb1 O38 2.85(5) . ?
Rb1 O59 3.36(7) 6 ?
Rb1 O59 3.36(7) 4 ?
Rb1 O59 3.36(7) 5 ?
Rb2 O19 3.00(3) . ?
Rb2 O21 3.03(2) . ?
Rb2 O22 3.05(2) . ?
Rb2 O2 3.11(2) 7_444 ?
Rb2 O27 3.16(2) . ?
Rb2 O29 3.07(2) . ?
Rb2 O35 3.45(6) . ?
Rb2 O57 3.45(6) 5_445 ?
Rb2 O2AA 3.40(7) . ?
Rb2 O62 2.77(7) . ?
Rb2 O61 2.88(5) . ?
Rb2 O60 2.84(6) . ?
O1 N5 1.27(3) . ?
O0AA N6 1.21(3) . ?
O30 N6 1.29(4) 2 ?
O4 N8 1.18(3) . ?
O5 N1 1.21(3) . ?
N12 O31 1.34(4) . ?
N12 O25 1.25(3) 4_445 ?
N12 O58 1.19(4) . ?
O7 N0AA 1.33(3) . ?
O8 N7 1.22(3) . ?
O9 N0AA 1.23(3) . ?
O10 N3 1.27(3) . ?
O11 N5 1.31(3) 2 ?
O12 N7 1.24(3) . ?
O13 N3 1.23(3) . ?
O14 N8 1.28(4) . ?
O16 N1 1.25(3) . ?
N6 O29 1.25(3) 5_445 ?
N1 O27 1.21(3) 3_655 ?
O19 N7 1.30(3) 8_544 ?
N5 O21 1.22(3) . ?
O22 N0AA 1.20(3) . ?
O2 N8 1.23(3) . ?
N3 O32 1.21(3) . ?
C1 H1 0.9900 . ?
C1 C2AA 1.46(4) 2_545 ?
C1 C2AA 1.46(4) . ?
C1 C2AA 1.46(4) 3_655 ?
C2 H2 0.9900 . ?
C2 C18 1.64(5) . ?
C2 C22 1.55(5) . ?
C2 C24 1.57(5) . ?
N9 C5 1.47(5) . ?
N9 C7 1.47(4) . ?
N9 C14 1.53(4) . ?
N9 C21 1.53(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 C22 1.58(5) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 C18 1.64(4) . ?
N11 C12 1.45(3) . ?
N11 C12 1.45(3) 3_655 ?
N11 C12 1.45(3) 2_545 ?
N11 C13 1.51(7) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 C2AA 1.53(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 C24 1.56(5) . ?
C18 O59 1.25(7) . ?
C22 O35 1.32(6) . ?
C0AA C0AA 1.84(7) 3_665 ?
C0AA C0AA 1.84(7) 2_655 ?
C0AA O38 1.83(7) 2_655 ?
C0AA O38 1.63(7) . ?
C0AA C3AA 1.64(7) . ?
C1AA C3AA 1.20(11) . ?
O38 O38 1.40(9) 3_665 ?
O38 O38 1.40(9) 2_655 ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C24 O57 1.24(7) . ?
C2AA O2AA 1.23(7) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C26 C27 1.52(6) . ?
C26 C33 1.63(7) . ?
C29 C27 1.94(8) . ?
C29 C31 1.04(9) . ?
C29 C34 1.45(8) . ?
C27 C35 1.81(7) . ?
C27 C25 1.44(7) . ?
C27 C32 1.31(6) . ?
C34 C33 1.58(8) . ?
C34 O61 1.79(8) . ?
C35 C25 1.51(7) . ?
C35 C33 1.72(7) . ?
C35 O62 1.51(8) . ?
C35 O60 1.65(8) . ?
C25 C32 1.84(8) . ?
C33 O61 1.74(8) . ?
C33 O60 1.60(8) . ?
O62 O61 1.44(8) . ?
O62 O60 1.30(9) . ?
O61 O60 1.44(8) . ?

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
O4 Eu00 O5 68.7(6) . . ?
O4 Eu00 O7 176.6(7) . . ?
O4 Eu00 O10 66.6(6) . . ?
O4 Eu00 O13 111.7(6) . . ?
O7 Eu00 O5 112.6(7) . . ?
O7 Eu00 O10 110.8(6) . . ?
O8 Eu00 O4 110.7(7) . . ?
O8 Eu00 O5 179.2(8) . . ?
O8 Eu00 O7 68.0(7) . . ?
O8 Eu00 O10 112.6(7) . . ?
O8 Eu00 O13 111.5(7) . . ?
O8 Eu00 O16 132.8(8) . . ?
O9 Eu00 O4 131.7(6) . . ?
O9 Eu00 O5 66.7(6) . . ?
O9 Eu00 O7 50.8(7) . . ?
O9 Eu00 O8 114.0(7) . . ?
O9 Eu00 O10 110.2(6) . . ?
O9 Eu00 O13 67.2(7) . . ?
O9 Eu00 O14 178.1(7) . . ?
O9 Eu00 O31 114.1(7) . . ?
O9 Eu00 O16 66.1(7) . . ?
O9 Eu00 O58 68.2(8) . . ?
O10 Eu00 O5 66.7(6) . . ?
O12 Eu00 O4 110.7(6) . . ?
O12 Eu00 O5 129.9(6) . . ?
O12 Eu00 O7 66.0(7) . . ?
O12 Eu00 O8 49.7(7) . . ?
O12 Eu00 O9 111.7(7) . . ?
O12 Eu00 O10 68.0(7) . . ?
O12 Eu00 O13 66.1(7) . . ?
O12 Eu00 O14 69.4(7) . . ?
O12 Eu00 O31 112.8(7) . . ?
O12 Eu00 O16 177.0(8) . . ?
O12 Eu00 O58 115.3(7) . . ?
O13 Eu00 O5 68.4(6) . . ?
O13 Eu00 O7 66.6(6) . . ?
O13 Eu00 O10 48.6(6) . . ?
O14 Eu00 O4 46.6(6) . . ?
O14 Eu00 O5 111.4(6) . . ?
O14 Eu00 O7 130.9(7) . . ?
O14 Eu00 O8 67.9(7) . . ?
O14 Eu00 O10 68.7(7) . . ?
O14 Eu00 O13 112.3(7) . . ?
O14 Eu00 O16 112.8(7) . . ?
O14 Eu00 O58 112.9(8) . . ?
O31 Eu00 O4 67.7(7) . . ?
O31 Eu00 O5 112.3(7) . . ?
O31 Eu00 O7 113.9(7) . . ?
O31 Eu00 O8 67.8(8) . . ?
O31 Eu00 O10 130.4(7) . . ?
O31 Eu00 O13 178.6(8) . . ?
O31 Eu00 O14 66.3(7) . . ?
O31 Eu00 O16 70.2(8) . . ?
O31 Eu00 O58 49.8(8) . . ?
O16 Eu00 O4 70.6(7) . . ?
O16 Eu00 O5 47.7(7) . . ?
O16 Eu00 O7 112.6(7) . . ?
O16 Eu00 O10 110.6(6) . . ?
O16 Eu00 O13 111.0(7) . . ?
O58 Eu00 O4 112.1(7) . . ?
O58 Eu00 O5 109.9(7) . . ?
O58 Eu00 O7 70.6(8) . . ?
O58 Eu00 O8 70.8(8) . . ?
O58 Eu00 O10 176.6(8) . . ?
O58 Eu00 O13 131.3(7) . . ?
O58 Eu00 O16 66.0(8) . . ?
O1 Eu02 O1 68.8(8) . 3 ?
O1 Eu02 O1 68.8(8) . 2 ?
O1 Eu02 O1 68.8(8) 3 2 ?
O1 Eu02 O30 178.1(9) 3 . ?
O1 Eu02 O30 110.3(7) 2 2 ?
O1 Eu02 O30 110.3(7) . . ?
O1 Eu02 O30 178.1(10) . 2 ?
O1 Eu02 O30 112.5(9) . 3 ?
O1 Eu02 O30 178.1(9) 2 3 ?
O1 Eu02 O30 112.5(9) 2 . ?
O1 Eu02 O30 112.5(9) 3 2 ?
O1 Eu02 O30 110.3(7) 3 3 ?
O0AA Eu02 O1 129.6(7) 3 . ?
O0AA Eu02 O1 113.1(8) 2 2 ?
O0AA Eu02 O1 129.6(7) 2 3 ?
O0AA Eu02 O1 66.4(7) 2 . ?
O0AA Eu02 O1 66.4(7) 3 2 ?
O0AA Eu02 O1 129.6(7) . 2 ?
O0AA Eu02 O1 66.4(7) . 3 ?
O0AA Eu02 O1 113.1(8) 3 3 ?
O0AA Eu02 O1 113.1(8) . . ?
O0AA Eu02 O0AA 112.6(4) . 2 ?
O0AA Eu02 O0AA 112.6(4) . 3 ?
O0AA Eu02 O0AA 112.6(4) 2 3 ?
O0AA Eu02 O30 48.8(8) 3 2 ?
O0AA Eu02 O30 68.8(9) 2 3 ?
O0AA Eu02 O30 68.8(9) . 2 ?
O0AA Eu02 O30 112.9(8) . . ?
O0AA Eu02 O30 112.9(8) 2 2 ?
O0AA Eu02 O30 48.8(8) . 3 ?
O0AA Eu02 O30 112.9(8) 3 3 ?
O0AA Eu02 O30 48.8(8) 2 . ?
O0AA Eu02 O30 68.8(9) 3 . ?
O0AA Eu02 O11 66.3(9) . 3 ?
O0AA Eu02 O11 178.7(9) 3 3 ?
O0AA Eu02 O11 68.7(8) 3 . ?
O0AA Eu02 O11 178.7(9) 2 2 ?
O0AA Eu02 O11 66.3(9) 3 2 ?
O0AA Eu02 O11 178.7(9) . . ?
O0AA Eu02 O11 66.3(9) 2 . ?
O0AA Eu02 O11 68.7(8) 2 3 ?
O0AA Eu02 O11 68.7(8) . 2 ?
O30 Eu02 O30 68.5(10) 2 . ?
O30 Eu02 O30 68.5(10) 3 . ?
O30 Eu02 O30 68.5(10) 2 3 ?
O11 Eu02 O1 65.8(6) 3 3 ?
O11 Eu02 O1 50.9(7) 2 3 ?
O11 Eu02 O1 50.9(7) 3 . ?
O11 Eu02 O1 65.8(6) 2 2 ?
O11 Eu02 O1 65.8(6) . . ?
O11 Eu02 O1 113.5(7) . 3 ?
O11 Eu02 O1 113.5(7) 2 . ?
O11 Eu02 O1 113.5(7) 3 2 ?
O11 Eu02 O1 50.9(7) . 2 ?
O11 Eu02 O30 130.7(7) 2 . ?
O11 Eu02 O30 67.1(8) . . ?
O11 Eu02 O30 112.3(8) . 2 ?
O11 Eu02 O30 67.1(8) 3 3 ?
O11 Eu02 O30 130.7(7) 3 2 ?
O11 Eu02 O30 67.1(8) 2 2 ?
O11 Eu02 O30 112.3(8) 2 3 ?
O11 Eu02 O30 112.3(7) 3 . ?
O11 Eu02 O30 130.7(8) . 3 ?
O11 Eu02 O11 112.4(4) 3 . ?
O11 Eu02 O11 112.4(4) 2 3 ?
O11 Eu02 O11 112.4(4) 2 . ?
O25 Rb1 O25 84.4(7) 3_665 2_655 ?
O25 Rb1 O25 84.4(7) 3_665 . ?
O25 Rb1 O25 84.4(7) 2_655 . ?
O25 Rb1 O32 91.6(7) . 2_655 ?
O25 Rb1 O32 73.5(7) 3_665 2_655 ?
O25 Rb1 O32 73.5(7) 2_655 . ?
O25 Rb1 O32 73.5(7) . 3_665 ?
O25 Rb1 O32 157.9(9) 2_655 2_655 ?
O25 Rb1 O32 157.9(9) . . ?
O25 Rb1 O32 91.6(7) 2_655 3_665 ?
O25 Rb1 O32 91.6(7) 3_665 . ?
O25 Rb1 O32 157.9(9) 3_665 3_665 ?
O25 Rb1 O59 116.1(14) . 6 ?
O25 Rb1 O59 116.1(14) 2_655 4 ?
O25 Rb1 O59 69.5(13) 2_655 6 ?
O25 Rb1 O59 116.1(14) 3_665 5 ?
O25 Rb1 O59 143.8(13) 3_665 6 ?
O25 Rb1 O59 69.5(13) 3_665 4 ?
O25 Rb1 O59 143.8(13) . 4 ?
O25 Rb1 O59 143.8(13) 2_655 5 ?
O25 Rb1 O59 69.5(13) . 5 ?
O32 Rb1 O32 108.2(6) 2_655 3_665 ?
O32 Rb1 O32 108.2(6) 2_655 . ?
O32 Rb1 O32 108.2(6) . 3_665 ?
O32 Rb1 O59 51.3(14) . 4 ?
O32 Rb1 O59 57.9(14) . 6 ?
O32 Rb1 O59 130.8(14) 2_655 6 ?
O32 Rb1 O59 130.8(14) 3_665 4 ?
O32 Rb1 O59 57.8(14) 2_655 4 ?
O32 Rb1 O59 130.8(14) . 5 ?
O32 Rb1 O59 57.8(14) 3_665 5 ?
O32 Rb1 O59 51.3(14) 3_665 6 ?
O32 Rb1 O59 51.3(14) 2_655 5 ?
O38 Rb1 O25 119.7(11) 2_655 3_665 ?
O38 Rb1 O25 119.6(12) . 3_665 ?
O38 Rb1 O25 119.6(12) 3_665 2_655 ?
O38 Rb1 O25 119.7(11) . 2_655 ?
O38 Rb1 O25 119.7(11) 3_665 . ?
O38 Rb1 O25 145.6(11) 2_655 2_655 ?
O38 Rb1 O25 145.6(11) . . ?
O38 Rb1 O25 119.6(12) 2_655 . ?
O38 Rb1 O25 145.6(11) 3_665 3_665 ?
O38 Rb1 O32 81.2(12) . 3_665 ?
O38 Rb1 O32 74.4(12) 3_665 . ?
O38 Rb1 O32 74.4(12) 2_655 3_665 ?
O38 Rb1 O32 81.2(12) 2_655 . ?
O38 Rb1 O32 74.4(12) . 2_655 ?
O38 Rb1 O32 53.3(11) 3_665 3_665 ?
O38 Rb1 O32 81.2(12) 3_665 2_655 ?
O38 Rb1 O32 53.3(11) . . ?
O38 Rb1 O32 53.3(11) 2_655 2_655 ?
O38 Rb1 O38 28.5(17) 2_655 3_665 ?
O38 Rb1 O38 28.5(17) 3_665 . ?
O38 Rb1 O38 28.5(17) 2_655 . ?
O38 Rb1 O59 50.1(16) 2_655 5 ?
O38 Rb1 O59 59.7(17) 3_665 5 ?
O38 Rb1 O59 77.5(16) 2_655 6 ?
O38 Rb1 O59 77.5(16) 3_665 4 ?
O38 Rb1 O59 50.1(16) 3_665 6 ?
O38 Rb1 O59 77.5(16) . 5 ?
O38 Rb1 O59 50.1(16) . 4 ?
O38 Rb1 O59 59.7(17) . 6 ?
O38 Rb1 O59 59.7(17) 2_655 4 ?
O59 Rb1 O59 99.4(16) 4 6 ?
O59 Rb1 O59 99.4(15) 5 6 ?
O59 Rb1 O59 99.4(16) 4 5 ?
O19 Rb2 O21 86.2(7) . . ?
O19 Rb2 O22 85.5(8) . . ?
O19 Rb2 O2 94.0(8) . 7_444 ?
O19 Rb2 O27 155.2(9) . . ?
O19 Rb2 O29 71.5(8) . . ?
O19 Rb2 O35 71.3(11) . . ?
O19 Rb2 O57 144.9(12) . 5_445 ?
O19 Rb2 O2AA 115.6(13) . . ?
O21 Rb2 O22 85.3(7) . . ?
O21 Rb2 O2 69.0(6) . 7_444 ?
O21 Rb2 O27 91.4(6) . . ?
O21 Rb2 O29 157.6(8) . . ?
O21 Rb2 O35 118.0(11) . . ?
O21 Rb2 O57 69.3(12) . 5_445 ?
O21 Rb2 O2AA 142.5(12) . . ?
O22 Rb2 O2 154.3(7) . 7_444 ?
O22 Rb2 O27 69.6(7) . . ?
O22 Rb2 O29 92.4(6) . . ?
O22 Rb2 O35 144.8(11) . . ?
O22 Rb2 O57 115.8(11) . 5_445 ?
O22 Rb2 O2AA 67.6(12) . . ?
O2 Rb2 O27 108.2(7) 7_444 . ?
O2 Rb2 O35 56.6(11) 7_444 . ?
O2 Rb2 O57 54.5(11) 7_444 5_445 ?
O2 Rb2 O2AA 133.7(12) 7_444 . ?
O27 Rb2 O35 130.3(10) . . ?
O27 Rb2 O57 54.0(11) . 5_445 ?
O27 Rb2 O2AA 55.7(12) . . ?
O29 Rb2 O2 111.8(6) . 7_444 ?
O29 Rb2 O27 108.7(7) . . ?
O29 Rb2 O35 55.6(11) . . ?
O29 Rb2 O57 130.6(12) . 5_445 ?
O29 Rb2 O2AA 53.7(13) . . ?
O57 Rb2 O35 97.8(14) 5_445 . ?
O2AA Rb2 O35 98.4(15) . . ?
O2AA Rb2 O57 98.8(16) . 5_445 ?
O62 Rb2 O19 116.3(15) . . ?
O62 Rb2 O21 121.2(15) . . ?
O62 Rb2 O22 144.9(15) . . ?
O62 Rb2 O2 56.6(15) . 7_444 ?
O62 Rb2 O27 85.9(14) . . ?
O62 Rb2 O29 71.4(15) . . ?
O62 Rb2 O35 45.0(17) . . ?
O62 Rb2 O57 62.2(18) . 5_445 ?
O62 Rb2 O2AA 77.9(18) . . ?
O62 Rb2 O61 29.5(16) . . ?
O62 Rb2 O60 26.8(18) . . ?
O61 Rb2 O19 144.5(12) . . ?
O61 Rb2 O21 117.5(11) . . ?
O61 Rb2 O22 120.3(11) . . ?
O61 Rb2 O2 73.1(11) . 7_444 ?
O61 Rb2 O27 56.5(11) . . ?
O61 Rb2 O29 82.8(11) . . ?
O61 Rb2 O35 74.1(14) . . ?
O61 Rb2 O57 48.2(15) . 5_445 ?
O61 Rb2 O2AA 62.1(16) . . ?
O60 Rb2 O19 118.6(15) . . ?
O60 Rb2 O21 144.5(14) . . ?
O60 Rb2 O22 119.4(15) . . ?
O60 Rb2 O2 83.3(14) . 7_444 ?
O60 Rb2 O27 76.0(15) . . ?
O60 Rb2 O29 53.9(14) . . ?
O60 Rb2 O35 56.4(17) . . ?
O60 Rb2 O57 76.6(17) . 5_445 ?
O60 Rb2 O2AA 51.7(18) . . ?
O60 Rb2 O61 29.2(16) . . ?
N5 O1 Eu02 95.5(17) . . ?
N6 O0AA Eu02 99.5(19) . . ?
N6 O30 Eu02 95.2(19) 2 . ?
N8 O4 Eu00 101.7(18) . . ?
N1 O5 Eu00 96.8(16) . . ?
O31 N12 Eu00 58.3(15) . . ?
O25 N12 Eu00 174(2) 4_445 . ?
O25 N12 O31 118(3) 4_445 . ?
O58 N12 Eu00 58.4(18) . . ?
O58 N12 O31 117(3) . . ?
O58 N12 O25 125(3) . 4_445 ?
N0AA O7 Eu00 92.6(14) . . ?
N7 O8 Eu00 93.4(18) . . ?
N0AA O9 Eu00 97.2(15) . . ?
N3 O10 Eu00 95.7(15) . . ?
N5 O11 Eu02 94.7(15) 2 . ?
N7 O12 Eu00 95.2(16) . . ?
N3 O13 Eu00 97.8(16) . . ?
N8 O14 Eu00 100.2(19) . . ?
N12 O31 Eu00 95.1(18) . . ?
N1 O16 Eu00 97.5(17) . . ?
O0AA N6 Eu02 57.1(16) . . ?
O0AA N6 O30 116(3) . 3 ?
O0AA N6 O29 128(3) . 5_445 ?
O30 N6 Eu02 59.4(17) 3 . ?
O29 N6 Eu02 174(3) 5_445 . ?
O29 N6 O30 116(3) 5_445 3 ?
O5 N1 Eu00 59.7(13) . . ?
O5 N1 O16 118(2) . . ?
O16 N1 Eu00 58.2(14) . . ?
O27 N1 Eu00 173(2) 3_655 . ?
O27 N1 O5 127(3) 3_655 . ?
O27 N1 O16 115(3) 3_655 . ?
N7 O19 Rb2 171(2) 8_544 . ?
O1 N5 Eu02 59.6(13) . . ?
O1 N5 O11 119(2) . 3 ?
O11 N5 Eu02 59.4(12) 3 . ?
O21 N5 Eu02 173.1(19) . . ?
O21 N5 O1 123(3) . . ?
O21 N5 O11 117(3) . 3 ?
N5 O21 Rb2 179(2) . . ?
N0AA O22 Rb2 172(2) . . ?
O8 N7 Eu00 61.9(16) . . ?
O8 N7 O12 122(3) . . ?
O8 N7 O19 113(3) . 6 ?
O12 N7 Eu00 59.8(14) . . ?
O12 N7 O19 125(3) . 6 ?
O19 N7 Eu00 174.7(19) 6 . ?
N8 O2 Rb2 149(2) . 4 ?
N12 O25 Rb1 179(2) 7_554 . ?
O10 N3 Eu00 59.6(12) . . ?
O13 N3 Eu00 58.4(13) . . ?
O13 N3 O10 118(2) . . ?
O32 N3 Eu00 175(2) . . ?
O32 N3 O10 116(3) . . ?
O32 N3 O13 126(3) . . ?
N1 O27 Rb2 153(2) 2_545 . ?
O7 N0AA Eu00 60.9(12) . . ?
O9 N0AA Eu00 58.5(12) . . ?
O9 N0AA O7 119(2) . . ?
O22 N0AA Eu00 176.8(19) . . ?
O22 N0AA O7 116(2) . . ?
O22 N0AA O9 125(2) . . ?
N6 O29 Rb2 161(2) 9_544 . ?
N3 O32 Rb1 162(2) . . ?
O4 N8 Eu00 56.1(15) . . ?
O4 N8 O14 111(3) . . ?
O4 N8 O2 133(3) . . ?
O14 N8 Eu00 55.4(15) . . ?
O2 N8 Eu00 171(3) . . ?
O2 N8 O14 116(3) . . ?
C2AA C1 H1 111.0 2_545 . ?
C2AA C1 H1 111.0 . . ?
C2AA C1 H1 111.0 3_655 . ?
C2AA C1 C2AA 108(2) 2_545 3_655 ?
C2AA C1 C2AA 108(2) . 2_545 ?
C2AA C1 C2AA 108(2) . 3_655 ?
C18 C2 H2 109.2 . . ?
C22 C2 H2 109.2 . . ?
C22 C2 C18 112(3) . . ?
C22 C2 C24 108(3) . . ?
C24 C2 H2 109.2 . . ?
C24 C2 C18 108(3) . . ?
C5 N9 C14 113(3) . . ?
C5 N9 C21 108(3) . . ?
C7 N9 C5 111(3) . . ?
C7 N9 C14 111(3) . . ?
C7 N9 C21 105(3) . . ?
C14 N9 C21 108(3) . . ?
N9 C5 H5A 110.7 . . ?
N9 C5 H5B 110.7 . . ?
N9 C5 C22 105(2) . . ?
H5A C5 H5B 108.8 . . ?
C22 C5 H5A 110.7 . . ?
C22 C5 H5B 110.7 . . ?
N9 C7 H7A 109.0 . . ?
N9 C7 H7B 109.0 . . ?
N9 C7 C18 113(3) . . ?
H7A C7 H7B 107.8 . . ?
C18 C7 H7A 109.0 . . ?
C18 C7 H7B 109.0 . . ?
C12 N11 C12 108(2) 2_545 3_655 ?
C12 N11 C12 108(2) . 3_655 ?
C12 N11 C12 108(2) . 2_545 ?
C12 N11 C13 111(2) . . ?
C12 N11 C13 111(2) 3_655 . ?
C12 N11 C13 111(2) 2_545 . ?
N11 C12 H12A 109.4 . . ?
N11 C12 H12B 109.4 . . ?
N11 C12 C2AA 111(3) . . ?
H12A C12 H12B 108.0 . . ?
C2AA C12 H12A 109.4 . . ?
C2AA C12 H12B 109.4 . . ?
N9 C14 H14A 109.6 . . ?
N9 C14 H14B 109.6 . . ?
N9 C14 C24 110(3) . . ?
H14A C14 H14B 108.1 . . ?
C24 C14 H14A 109.6 . . ?
C24 C14 H14B 109.6 . . ?
C7 C18 C2 101(3) . . ?
O59 C18 C2 110(4) . . ?
O59 C18 C7 118(4) . . ?
C2 C22 C5 111(3) . . ?
O35 C22 C2 111(4) . . ?
O35 C22 C5 119(4) . . ?
C22 O35 Rb2 126(4) . . ?
C0AA C0AA C0AA 59.999(17) 3_665 2_655 ?
O38 C0AA C0AA 64(3) . 3_665 ?
O38 C0AA C0AA 85(2) . 2_655 ?
O38 C0AA C0AA 80(2) 2_655 3_665 ?
O38 C0AA C0AA 53(2) 2_655 2_655 ?
O38 C0AA O38 47(3) . 2_655 ?
O38 C0AA C3AA 146(5) . . ?
C3AA C0AA C0AA 88(3) . 3_665 ?
C3AA C0AA C0AA 98(3) . 2_655 ?
C3AA C0AA O38 150(4) . 2_655 ?
C0AA O38 Rb1 146(3) . . ?
C0AA O38 Rb1 132(3) 3_665 . ?
C0AA O38 C0AA 64(3) . 3_665 ?
O38 O38 Rb1 75.7(8) 3_665 . ?
O38 O38 Rb1 75.7(8) 2_655 . ?
O38 O38 C0AA 74(3) 2_655 . ?
O38 O38 C0AA 92(3) 2_655 3_665 ?
O38 O38 C0AA 59(3) 3_665 3_665 ?
O38 O38 C0AA 101(2) 3_665 . ?
O38 O38 O38 60.00(2) 3_665 2_655 ?
N9 C21 H21A 109.5 . . ?
N9 C21 H21B 109.5 . . ?
N9 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C14 C24 C2 107(3) . . ?
O57 C24 C2 111(4) . . ?
O57 C24 C14 122(4) . . ?
C1 C2AA C12 110(3) . . ?
O2AA C2AA C1 121(4) . . ?
O2AA C2AA C12 119(5) . . ?
C24 O57 Rb2 127(4) . 9_544 ?
N12 O58 Eu00 98(2) . . ?
C2AA O2AA Rb2 138(5) . . ?
C1AA C3AA C0AA 97(7) . . ?
N11 C13 H13A 109.5 . . ?
N11 C13 H13B 109.5 . . ?
N11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C18 O59 Rb1 127(5) . 7_444 ?
C27 C26 C33 91(3) . . ?
C31 C29 C27 111(8) . . ?
C31 C29 C34 136(9) . . ?
C34 C29 C27 84(5) . . ?
C26 C27 C29 78(3) . . ?
C26 C27 C35 95(3) . . ?
C35 C27 C29 92(3) . . ?
C25 C27 C26 141(4) . . ?
C25 C27 C29 80(4) . . ?
C25 C27 C35 54(3) . . ?
C32 C27 C26 129(5) . . ?
C32 C27 C29 149(5) . . ?
C32 C27 C35 99(4) . . ?
C32 C27 C25 83(4) . . ?
C29 C34 C33 119(6) . . ?
C29 C34 O61 163(6) . . ?
C33 C34 O61 62(4) . . ?
C25 C35 C27 51(3) . . ?
C25 C35 C33 120(5) . . ?
C25 C35 O62 123(5) . . ?
C25 C35 O60 168(5) . . ?
C33 C35 C27 78(3) . . ?
O62 C35 C27 156(5) . . ?
O62 C35 C33 91(4) . . ?
O62 C35 O60 48(4) . . ?
O60 C35 C27 133(4) . . ?
O60 C35 C33 57(3) . . ?
C27 C25 C35 76(4) . . ?
C27 C25 C32 45(3) . . ?
C35 C25 C32 91(4) . . ?
C26 C33 C35 95(4) . . ?
C26 C33 O61 149(4) . . ?
C34 C33 C26 85(4) . . ?
C34 C33 C35 77(4) . . ?
C34 C33 O61 65(4) . . ?
C34 C33 O60 107(5) . . ?
C35 C33 O61 77(3) . . ?
O60 C33 C26 147(5) . . ?
O60 C33 C35 59(3) . . ?
O60 C33 O61 51(3) . . ?
C27 C32 C25 51(3) . . ?
C35 O62 Rb2 150(4) . . ?
O61 O62 Rb2 80(3) . . ?
O61 O62 C35 94(5) . . ?
O60 O62 Rb2 80(4) . . ?
O60 O62 C35 71(5) . . ?
O60 O62 O61 63(5) . . ?
C34 O61 Rb2 168(3) . . ?
C33 O61 Rb2 130(3) . . ?
C33 O61 C34 53(3) . . ?
O62 O61 Rb2 71(3) . . ?
O62 O61 C34 98(4) . . ?
O62 O61 C33 93(4) . . ?
O62 O61 O60 54(4) . . ?
O60 O61 Rb2 74(3) . . ?
O60 O61 C34 104(4) . . ?
O60 O61 C33 60(4) . . ?
C35 O60 Rb2 133(4) . . ?
C33 O60 Rb2 142(4) . . ?
C33 O60 C35 64(4) . . ?
O62 O60 Rb2 74(4) . . ?
O62 O60 C35 60(4) . . ?
O62 O60 C33 105(6) . . ?
O62 O60 O61 63(5) . . ?
O61 O60 Rb2 77(3) . . ?
O61 O60 C35 89(4) . . ?
O61 O60 C33 69(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT043_1                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      96.70 Check 
RESPONSE: ...The disordered molecule was not modeled as the chemical sense.
;
_vrf_PLAT315_1                   
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).       C0AA Check 
RESPONSE: ...The disordered molecule was not modeled as the chemical sense.
;
_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.07286 Ang.  
RESPONSE: ...This is due to disorder.
;
_vrf_PLAT430_1                   
;
PROBLEM: Short Inter D...A Contact  O35      ..O62      .       2.47 Ang.  
RESPONSE: ...The H atoms was not modeled because of disorder.
;
_vrf_PLAT972_1                   
;
PROBLEM: Check Calcd Resid. Dens.  1.27A   From Eu00           -3.55 eA-3  
RESPONSE: ...This is due to disorder.
;
_vrf_PLAT976_1                   
;
PROBLEM: Check Calcd Resid. Dens.  1.05A   From O5             -1.76 eA-3  
RESPONSE: ...This is due to disorder.
;
_vrf_PLAT987_1                   
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check 
RESPONSE: ...This  disorder causes the deviation of the Flack value from the theoretical value.
;
_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_1_CCDC4
_database_code_depnum_ccdc_archive 'CCDC 2096222'
loop_
_audit_author_name
_audit_author_address
'Chang-Feng Wang'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2021-07-15 deposited with the CCDC.	2022-07-19 downloaded from the CCDC.
;
_audit_creation_date             2021-01-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.33(C192 H384 Eu12 N96 O240 Rb12)'
_chemical_formula_sum            'C64 H128 Eu4 N32 O80 Rb4'
_chemical_formula_weight         3575.73
_chemical_absolute_configuration S
_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'
Rb Rb -0.9393 2.9676 '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      trigonal
_space_group_IT_number           146
_space_group_name_H-M_alt        'R 3'
_space_group_name_Hall           'R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   20.3555(3)
_cell_length_b                   20.3555(3)
_cell_length_c                   24.9006(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     8935.2(3)
_cell_formula_units_Z            2.99997
_cell_measurement_reflns_used    1060
_cell_measurement_temperature    253
_cell_measurement_theta_max      31.6270
_cell_measurement_theta_min      2.0240
_shelx_estimated_absorpt_T_max   0.546
_shelx_estimated_absorpt_T_min   0.486
_exptl_absorpt_coefficient_mu    3.829
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79567
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   ?
_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    1.994
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5328
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_unetI/netI     0.0504
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            28303
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.945
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         2.451
_diffrn_ambient_temperature      253
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.919
_reflns_Friedel_fraction_full    0.941
_reflns_Friedel_fraction_max     0.905
_reflns_number_gt                7838
_reflns_number_total             8626
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.198
_refine_diff_density_min         -3.220
_refine_diff_density_rms         0.161
_refine_ls_abs_structure_details 
;
 Flack x determined using 2942 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.135(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         8626
_refine_ls_number_restraints     181
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0794
_refine_ls_restrained_S_all      1.069
_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)+(0.0110P)²+366.0816P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1547
_refine_ls_wR_factor_ref         0.1577
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, H38 of C38, H35 of C35
 At 1.5 times of:
  All C(H,H,H) groups, H41 of C41
2. Uiso/Uaniso restraints and constraints
Uanis(C82) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C84) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C40) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C88) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C89) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C87) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C90) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C85) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C91) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C9) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C86) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C97) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C47) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O32) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O26) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(N2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N9) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O91B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O19) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O91) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N10) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(N7) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N5) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O92B) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O88) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O91A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O17) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O92) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O92A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: O91(0.33333) O91B(0.33333) O91A(0.33333) O92A(0.33333)
 O92(0.33333) O92B(0.33333) O96(0.33333) O88(0.33333)
4.a Riding coordinates:
 C41(H41)
4.b Ternary CH refined with riding coordinates:
 C35(H35), C38(H38)
4.c Secondary CH2 refined with riding coordinates:
 C36(H36a,H36b), C39(H39a,H39b), C40(H40a,H40b), C37(H37a,H37b)
4.d Me refined with riding coordinates:
 C49(H49a,H49b,H49c)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu2 Eu -0.81814(5) -0.68045(5) 0.74233(5) 0.0397(2) Uani 1 1 d . . . . .
Eu1 Eu -1.000000 -1.000000 1.38247(7) 0.0524(5) Uani 1 3 d S T P . .
Rb1 Rb -1.000000 -1.000000 0.92366(15) 0.0589(11) Uani 1 3 d S T P . .
Rb2 Rb -0.80429(11) -1.15026(14) 1.23069(14) 0.0746(8) Uani 1 1 d . . . . .
O1 O -0.8254(11) -0.7679(11) 0.6677(7) 0.063(5) Uani 1 1 d . . . . .
O2 O -0.8892(10) -0.7514(10) 0.8263(8) 0.059(4) Uani 1 1 d . . . . .
O3 O -0.6813(10) -0.5754(10) 0.7627(7) 0.054(4) Uani 1 1 d . . . . .
O4 O -0.7198(12) -0.7145(11) 0.7089(9) 0.069(6) Uani 1 1 d . . . . .
O5 O -0.9118(11) -0.6935(11) 0.6657(7) 0.065(5) Uani 1 1 d . . . . .
O6 O -0.7881(12) -0.5481(10) 0.7063(8) 0.064(5) Uani 1 1 d . . . . .
O7 O -0.9169(11) -0.6444(11) 0.7757(7) 0.063(5) Uani 1 1 d . . . . .
O8 O -0.8495(11) -0.8138(11) 0.7766(7) 0.065(5) Uani 1 1 d . . . . .
O9 O -0.7275(9) -0.6667(9) 0.8210(8) 0.058(4) Uani 1 1 d . . . . .
O10 O -0.8134(10) -0.5919(11) 0.8182(7) 0.063(5) Uani 1 1 d . . . . .
O11 O -0.9535(9) -0.7850(10) 0.7207(7) 0.057(4) Uani 1 1 d . . . . .
N5 N -0.8738(11) -0.5971(10) 0.8128(9) 0.049(5) Uani 1 1 d . U . . .
O13 O -0.7454(12) -0.6062(10) 0.6589(7) 0.065(5) Uani 1 1 d . . . . .
N4 N -0.7548(13) -0.5498(14) 0.6628(9) 0.069(7) Uani 1 1 d . . . . .
O16 O -0.9873(13) -1.0752(12) 1.3044(8) 0.079(6) Uani 1 1 d . . . . .
O17 O -1.0154(10) -0.9269(10) 1.4627(8) 0.060(4) Uani 1 1 d . U . . .
N3 N -0.9673(11) -0.7579(13) 0.6814(9) 0.059(6) Uani 1 1 d . . . . .
O19 O -0.9135(13) -0.8653(12) 0.8481(9) 0.085(7) Uani 1 1 d . U . . .
N7 N -0.8839(10) -0.8105(10) 0.8186(8) 0.041(4) Uani 1 1 d . U . . .
N1 N -1.0772(19) -0.9409(13) 1.4534(9) 0.078(8) Uani 1 1 d . . . . .
N2 N -0.6746(10) -0.6055(10) 0.8056(8) 0.042(4) Uani 1 1 d . U . . .
O24 O -0.7296(13) -0.7862(12) 0.6430(9) 0.080(6) Uani 1 1 d . . . . .
N6 N -0.7585(15) -0.7598(14) 0.6737(11) 0.064(6) Uani 1 1 d . U . . .
O26 O -0.6152(8) -0.5707(10) 0.8317(7) 0.054(4) Uani 1 1 d . U . . .
O27 O -0.8886(13) -1.0873(14) 1.2881(9) 0.095(8) Uani 1 1 d . . . . .
O28 O -0.7284(13) -0.4991(10) 0.6307(8) 0.078(6) Uani 1 1 d . . . . .
N10 N -0.9174(11) -1.0585(11) 1.3168(8) 0.050(5) Uani 1 1 d . U . . .
O30 O -1.0232(13) -0.7806(17) 0.6538(10) 0.098(8) Uani 1 1 d . . . . .
O31 O -0.8976(12) -0.5622(10) 0.8385(9) 0.073(6) Uani 1 1 d . . . . .
O32 O -1.1203(12) -0.9227(12) 1.4798(9) 0.084(6) Uani 1 1 d . U . . .
N9 N -0.666667 -1.333333 1.3523(15) 0.070(10) Uani 1 3 d S TU P . .
N8 N -0.8506(11) -1.2082(11) 0.9741(9) 0.062(5) Uani 1 1 d . . . . .
O91 O -0.689(3) -1.033(3) 0.9444(19) 0.067(12) Uani 0.3333 1 d . U . . .
O91B O -0.775(4) -1.116(4) 1.090(2) 0.090(17) Uani 0.3333 1 d . U . A .
O91A O -0.895(3) -1.060(3) 0.993(2) 0.068(13) Uani 0.3333 1 d . U . . .
C35 C -0.7850(12) -1.0721(10) 1.0102(11) 0.057(6) Uani 1 1 d . . . . .
H35 H -0.760425 -1.018907 1.022852 0.069 Uiso 1 1 calc R . . . .
C36 C -0.7751(18) -1.1736(19) 0.9587(14) 0.094(10) Uani 1 1 d . . . . .
H36A H -0.771555 -1.173062 0.919442 0.112 Uiso 1 1 calc R . . . .
H36B H -0.752100 -1.202416 0.972871 0.112 Uiso 1 1 calc R . . . .
C39 C -0.8853(18) -1.1678(16) 0.9459(11) 0.082(9) Uani 1 1 d . . . . .
H39A H -0.940643 -1.195698 0.949919 0.098 Uiso 1 1 calc R . . . .
H39B H -0.872806 -1.162115 0.907584 0.098 Uiso 1 1 calc R . . . .
C40 C -0.8593(16) -1.2083(15) 1.0347(10) 0.070(6) Uani 1 1 d . U . . .
H40A H -0.838585 -1.237980 1.050992 0.084 Uiso 1 1 calc R . . . .
H40B H -0.913277 -1.232930 1.043741 0.084 Uiso 1 1 calc R . . . .
C46 C -0.7296(19) -1.0873(16) 0.9815(15) 0.090(10) Uani 1 1 d . . . . .
C47 C -0.851(2) -1.090(2) 0.9735(16) 0.107(13) Uani 1 1 d . U . . .
C48 C -0.8187(15) -1.1285(15) 1.0579(11) 0.076(8) Uani 1 1 d . . . . .
C49 C -0.896(2) -1.2903(14) 0.9542(14) 0.094(11) Uani 1 1 d . . . . .
H49A H -0.948738 -1.312099 0.965847 0.141 Uiso 1 1 calc R . . . .
H49B H -0.894598 -1.291076 0.915319 0.141 Uiso 1 1 calc R . . . .
H49C H -0.875021 -1.319575 0.968937 0.141 Uiso 1 1 calc R . . . .
C37 C -0.719(2) -1.309(3) 1.3323(15) 0.122(16) Uani 1 1 d . . . . .
H37A H -0.705310 -1.259636 1.348498 0.146 Uiso 1 1 calc R . . . .
H37B H -0.770577 -1.345387 1.343980 0.146 Uiso 1 1 calc R . . . .
C38 C -0.666667 -1.333333 1.2485(14) 0.060(10) Uani 1 3 d S T P A .
H38 H -0.666667 -1.333333 1.208707 0.072 Uiso 1 3 calc RS T P . .
C41 C -0.666667 -1.333333 1.4122(15) 0.081(14) Uani 1 3 d S T P . .
H41 H -0.634060 -1.351020 1.424953 0.122 Uiso 1 1 d R . . . .
C59 C -0.7182(18) -1.3014(17) 1.2725(13) 0.086(9) Uani 1 1 d . . . . .
O20 O -1.1120(12) -0.9828(12) 1.4128(8) 0.075(5) Uani 1 1 d . . . . .
O92A O -0.667(2) -1.050(2) 1.1745(16) 0.047(9) Uani 0.3333 1 d . U . A .
O92 O -0.665(2) -1.122(2) 1.1859(18) 0.055(10) Uani 0.3333 1 d . U . A .
O92B O -0.650(3) -1.069(3) 1.222(2) 0.084(15) Uani 0.3333 1 d . U . A 4
C84 C -0.501(5) -1.028(5) 1.097(4) 0.23(3) Uani 1 1 d . U . . .
C85 C -0.566(4) -0.991(3) 1.197(2) 0.161(19) Uani 1 1 d . U . . .
C86 C -0.606(3) -1.051(3) 1.1408(19) 0.120(13) Uani 1 1 d . U . . .
C87 C -0.484(2) -1.029(2) 1.1720(16) 0.095(10) Uani 1 1 d . U . . .
C88 C -0.568(2) -1.0864(17) 1.184(2) 0.17(2) Uani 1 1 d . U . . .
C89 C -0.477(3) -0.944(3) 1.186(2) 0.136(16) Uani 1 1 d . U . . .
C90 C -0.538(3) -0.988(3) 1.108(2) 0.144(17) Uani 1 1 d . U . . .
C91 C -0.451(2) -1.053(2) 1.1971(19) 0.116(13) Uani 1 1 d . U . . .
O41 O -0.8884(11) -1.0159(12) 1.3548(8) 0.069(5) Uani 1 1 d . . . . .
C82 C -0.976(3) -1.031(3) 1.1552(17) 0.104(12) Uani 1 1 d . U . . .
C97 C -0.945(3) -1.010(2) 1.1040(18) 0.137(14) Uani 1 1 d . U . . .
O96 O -0.692(3) -1.233(3) 1.248(2) 0.070(13) Uani 0.3333 1 d . . . A .
C9 C -0.480(4) -0.889(4) 1.162(2) 0.18(3) Uani 1 1 d . U . . .
C99 C -0.971(4) -1.088(3) 1.1676(19) 0.17(2) Uani 1 1 d . . . . .
O88 O -0.957(2) -0.989(3) 1.0341(18) 0.063(12) Uani 0.3333 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu2 O1 2.52(2) . ?
Eu2 O2 2.54(2) . ?
Eu2 O3 2.575(18) . ?
Eu2 O4 2.564(18) . ?
Eu2 O5 2.615(14) . ?
Eu2 O6 2.606(18) . ?
Eu2 O7 2.60(2) . ?
Eu2 O8 2.60(2) . ?
Eu2 O9 2.609(18) . ?
Eu2 O10 2.580(19) . ?
Eu2 O11 2.559(16) . ?
Eu2 O13 2.560(16) . ?
Eu1 O16 2.565(17) 3_435 ?
Eu1 O16 2.565(17) . ?
Eu1 O16 2.565(18) 2_345 ?
Eu1 O17 2.604(19) 3_435 ?
Eu1 O17 2.604(19) . ?
Eu1 O17 2.604(19) 2_345 ?
Eu1 O20 2.59(2) 3_435 ?
Eu1 O20 2.59(2) 2_345 ?
Eu1 O20 2.59(2) . ?
Eu1 O41 2.544(17) . ?
Eu1 O41 2.544(17) 3_435 ?
Eu1 O41 2.544(17) 2_345 ?
Rb1 O19 3.055(19) 3_435 ?
Rb1 O19 3.055(19) 2_345 ?
Rb1 O19 3.055(19) . ?
Rb1 O28 3.120(17) 4_445 ?
Rb1 O28 3.120(18) 5_345 ?
Rb1 O28 3.120(17) 6_335 ?
Rb1 O91A 3.40(5) 3_435 ?
Rb1 O91A 3.40(5) . ?
Rb1 O91A 3.40(5) 2_345 ?
Rb1 O88 2.86(4) 2_345 ?
Rb1 O88 2.86(4) 3_435 ?
Rb1 O88 2.86(4) . ?
Rb2 O24 2.98(2) 8_335 ?
Rb2 O26 3.037(15) 4_445 ?
Rb2 O27 2.971(19) . ?
Rb2 O30 3.04(2) 7_545 ?
Rb2 O31 3.109(18) 5_345 ?
Rb2 O32 3.15(2) 7_544 ?
Rb2 O91 3.35(5) 6_435 ?
Rb2 O91B 3.55(6) . ?
Rb2 O92A 2.87(4) . ?
Rb2 O92 2.82(4) . ?
Rb2 O92B 2.72(6) . ?
Rb2 O96 3.47(5) . ?
O1 N6 1.30(3) . ?
O2 N7 1.27(2) . ?
O3 N2 1.27(2) . ?
O4 N6 1.23(3) . ?
O5 N3 1.29(3) . ?
O6 N4 1.29(3) . ?
O7 N5 1.31(3) . ?
O8 N7 1.28(3) . ?
O9 N2 1.23(2) . ?
O10 N5 1.19(2) . ?
O11 N3 1.22(3) . ?
N5 O31 1.22(3) . ?
O13 N4 1.26(3) . ?
N4 O28 1.20(3) . ?
O16 N10 1.32(3) . ?
O17 N1 1.16(3) . ?
N3 O30 1.21(3) . ?
O19 N7 1.21(2) . ?
N1 O32 1.29(3) . ?
N1 O20 1.28(3) . ?
N2 O26 1.24(2) . ?
O24 N6 1.24(3) . ?
O27 N10 1.24(3) . ?
N10 O41 1.22(3) . ?
N9 C37 1.47(3) . ?
N9 C37 1.47(4) 3_535 ?
N9 C37 1.47(3) 2_335 ?
N9 C41 1.49(5) . ?
N8 C36 1.39(3) . ?
N8 C39 1.50(3) . ?
N8 C40 1.52(3) . ?
N8 C49 1.53(3) . ?
O91 C46 1.36(5) . ?
O91B C48 1.14(6) . ?
O91A C47 1.41(6) . ?
C35 C46 1.49(4) . ?
C35 C47 1.50(4) . ?
C35 C48 1.56(4) . ?
C36 C46 1.63(4) . ?
C39 C47 1.54(4) . ?
C40 C48 1.52(4) . ?
C37 C59 1.50(5) . ?
C38 C59 1.60(4) . ?
C38 C59 1.60(4) 3_535 ?
C38 C59 1.60(4) 2_335 ?
C59 O96 1.36(5) . ?
O92A O92 1.49(6) . ?
O92A O92B 1.32(7) . ?
O92A C85 1.86(7) . ?
O92A C86 1.50(6) . ?
O92 O92B 1.32(7) . ?
O92 C86 1.75(6) . ?
O92 C88 1.74(6) . ?
O92B C85 1.75(8) . ?
C84 C87 1.90(9) . ?
C84 C90 1.41(8) . ?
C85 C86 1.76(6) . ?
C85 C88 1.95(6) . ?
C85 C89 1.61(7) . ?
C86 C88 1.68(5) . ?
C86 C90 1.56(6) . ?
C87 C88 1.54(5) . ?
C87 C89 1.69(6) . ?
C87 C91 1.19(5) . ?
C89 C9 1.30(6) . ?
C82 C82 1.70(6) 3_435 ?
C82 C82 1.70(6) 2_345 ?
C82 C97 1.39(5) . ?
C82 C99 1.24(6) . ?
C97 O88 1.83(6) . ?
O88 O88 1.38(7) 2_345 ?
O88 O88 1.38(7) 3_435 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu2 O2 112.9(6) . . ?
O1 Eu2 O3 112.8(6) . . ?
O1 Eu2 O4 49.4(7) . . ?
O1 Eu2 O5 67.0(6) . . ?
O1 Eu2 O6 112.1(6) . . ?
O1 Eu2 O7 130.8(6) . . ?
O1 Eu2 O8 67.0(6) . . ?
O1 Eu2 O9 114.7(5) . . ?
O1 Eu2 O10 178.9(7) . . ?
O1 Eu2 O11 66.4(6) . . ?
O1 Eu2 O13 68.4(6) . . ?
O2 Eu2 O3 112.4(6) . . ?
O2 Eu2 O4 114.4(6) . . ?
O2 Eu2 O5 111.3(6) . . ?
O2 Eu2 O6 130.0(6) . . ?
O2 Eu2 O7 66.2(6) . . ?
O2 Eu2 O8 50.5(6) . . ?
O2 Eu2 O9 67.3(6) . . ?
O2 Eu2 O10 66.8(6) . . ?
O2 Eu2 O11 68.3(6) . . ?
O2 Eu2 O13 178.7(7) . . ?
O3 Eu2 O5 131.2(6) . . ?
O3 Eu2 O6 67.2(7) . . ?
O3 Eu2 O7 111.8(5) . . ?
O3 Eu2 O8 113.6(5) . . ?
O3 Eu2 O9 49.4(5) . . ?
O3 Eu2 O10 68.2(6) . . ?
O4 Eu2 O3 67.8(7) . . ?
O4 Eu2 O5 111.3(7) . . ?
O4 Eu2 O6 110.9(6) . . ?
O4 Eu2 O7 179.4(7) . . ?
O4 Eu2 O8 69.0(7) . . ?
O4 Eu2 O9 70.5(7) . . ?
O4 Eu2 O10 131.7(7) . . ?
O6 Eu2 O5 68.7(6) . . ?
O6 Eu2 O9 111.1(6) . . ?
O7 Eu2 O5 68.6(6) . . ?
O7 Eu2 O6 68.4(7) . . ?
O7 Eu2 O8 111.6(6) . . ?
O7 Eu2 O9 109.6(5) . . ?
O8 Eu2 O5 110.3(6) . . ?
O8 Eu2 O6 178.9(7) . . ?
O8 Eu2 O9 69.9(6) . . ?
O9 Eu2 O5 178.1(7) . . ?
O10 Eu2 O5 112.1(6) . . ?
O10 Eu2 O6 67.8(6) . . ?
O10 Eu2 O7 48.1(5) . . ?
O10 Eu2 O8 113.1(6) . . ?
O10 Eu2 O9 66.3(5) . . ?
O11 Eu2 O3 179.1(7) . . ?
O11 Eu2 O4 111.6(6) . . ?
O11 Eu2 O5 48.3(6) . . ?
O11 Eu2 O6 112.7(6) . . ?
O11 Eu2 O7 68.8(7) . . ?
O11 Eu2 O8 66.5(7) . . ?
O11 Eu2 O9 131.1(5) . . ?
O11 Eu2 O10 112.6(6) . . ?
O11 Eu2 O13 112.6(6) . . ?
O13 Eu2 O3 66.6(6) . . ?
O13 Eu2 O4 66.2(6) . . ?
O13 Eu2 O5 69.2(7) . . ?
O13 Eu2 O6 48.9(6) . . ?
O13 Eu2 O7 113.2(6) . . ?
O13 Eu2 O8 130.5(6) . . ?
O13 Eu2 O9 112.1(6) . . ?
O13 Eu2 O10 111.9(6) . . ?
O16 Eu1 O16 68.9(8) 3_435 2_345 ?
O16 Eu1 O16 68.9(8) . 3_435 ?
O16 Eu1 O16 68.9(8) . 2_345 ?
O16 Eu1 O17 111.2(6) 2_345 3_435 ?
O16 Eu1 O17 178.6(7) 2_345 2_345 ?
O16 Eu1 O17 112.5(7) 3_435 2_345 ?
O16 Eu1 O17 112.5(7) 2_345 . ?
O16 Eu1 O17 178.6(7) . . ?
O16 Eu1 O17 112.5(7) . 3_435 ?
O16 Eu1 O17 111.2(6) . 2_345 ?
O16 Eu1 O17 111.2(6) 3_435 . ?
O16 Eu1 O17 178.6(7) 3_435 3_435 ?
O16 Eu1 O20 112.7(7) . 3_435 ?
O16 Eu1 O20 67.5(6) 2_345 3_435 ?
O16 Eu1 O20 67.5(6) . 2_345 ?
O16 Eu1 O20 112.7(7) 3_435 2_345 ?
O16 Eu1 O20 112.7(7) 2_345 . ?
O16 Eu1 O20 67.5(6) 3_435 . ?
O16 Eu1 O20 131.4(7) 2_345 2_345 ?
O16 Eu1 O20 131.4(7) 3_435 3_435 ?
O16 Eu1 O20 131.4(7) . . ?
O17 Eu1 O17 67.4(6) . 2_345 ?
O17 Eu1 O17 67.4(6) . 3_435 ?
O17 Eu1 O17 67.4(6) 3_435 2_345 ?
O20 Eu1 O17 111.3(6) . 3_435 ?
O20 Eu1 O17 68.4(6) 3_435 . ?
O20 Eu1 O17 111.3(6) 2_345 . ?
O20 Eu1 O17 68.4(6) . 2_345 ?
O20 Eu1 O17 68.4(6) 2_345 3_435 ?
O20 Eu1 O17 111.3(6) 3_435 2_345 ?
O20 Eu1 O17 48.1(6) 2_345 2_345 ?
O20 Eu1 O17 48.1(6) 3_435 3_435 ?
O20 Eu1 O17 48.1(6) . . ?
O20 Eu1 O20 111.8(4) 3_435 . ?
O20 Eu1 O20 111.8(4) 2_345 . ?
O20 Eu1 O20 111.8(4) 3_435 2_345 ?
O41 Eu1 O16 68.0(7) 2_345 3_435 ?
O41 Eu1 O16 49.9(7) 2_345 2_345 ?
O41 Eu1 O16 113.8(7) 3_435 2_345 ?
O41 Eu1 O16 113.8(7) 2_345 . ?
O41 Eu1 O16 49.9(7) 3_435 3_435 ?
O41 Eu1 O16 49.9(7) . . ?
O41 Eu1 O16 113.8(7) . 3_435 ?
O41 Eu1 O16 68.0(7) 3_435 . ?
O41 Eu1 O16 68.0(7) . 2_345 ?
O41 Eu1 O17 130.6(6) 3_435 3_435 ?
O41 Eu1 O17 67.4(6) 3_435 2_345 ?
O41 Eu1 O17 130.6(6) . . ?
O41 Eu1 O17 67.4(6) 2_345 . ?
O41 Eu1 O17 67.4(6) . 3_435 ?
O41 Eu1 O17 111.0(6) . 2_345 ?
O41 Eu1 O17 111.0(6) 3_435 . ?
O41 Eu1 O17 111.0(6) 2_345 3_435 ?
O41 Eu1 O17 130.6(6) 2_345 2_345 ?
O41 Eu1 O20 68.0(7) . 2_345 ?
O41 Eu1 O20 68.0(7) 3_435 . ?
O41 Eu1 O20 67.2(7) . 3_435 ?
O41 Eu1 O20 68.0(7) 2_345 3_435 ?
O41 Eu1 O20 178.7(7) 3_435 3_435 ?
O41 Eu1 O20 178.7(7) . . ?
O41 Eu1 O20 178.7(7) 2_345 2_345 ?
O41 Eu1 O20 67.2(7) 2_345 . ?
O41 Eu1 O20 67.2(7) 3_435 2_345 ?
O41 Eu1 O41 113.0(4) 2_345 . ?
O41 Eu1 O41 113.0(4) 3_435 2_345 ?
O41 Eu1 O41 113.0(4) 3_435 . ?
O19 Rb1 O19 86.0(7) 3_435 . ?
O19 Rb1 O19 86.0(7) 3_435 2_345 ?
O19 Rb1 O19 86.0(7) 2_345 . ?
O19 Rb1 O28 92.2(6) 2_345 4_445 ?
O19 Rb1 O28 69.3(6) 3_435 4_445 ?
O19 Rb1 O28 155.4(7) 3_435 6_335 ?
O19 Rb1 O28 92.2(6) 3_435 5_345 ?
O19 Rb1 O28 155.4(7) 2_345 5_345 ?
O19 Rb1 O28 69.3(6) . 5_345 ?
O19 Rb1 O28 92.2(6) . 6_335 ?
O19 Rb1 O28 69.3(6) 2_345 6_335 ?
O19 Rb1 O28 155.4(7) . 4_445 ?
O19 Rb1 O91A 145.0(10) 3_435 2_345 ?
O19 Rb1 O91A 70.6(10) 3_435 . ?
O19 Rb1 O91A 70.6(10) 2_345 3_435 ?
O19 Rb1 O91A 145.0(10) . 3_435 ?
O19 Rb1 O91A 116.7(10) . . ?
O19 Rb1 O91A 145.0(10) 2_345 . ?
O19 Rb1 O91A 70.6(10) . 2_345 ?
O19 Rb1 O91A 116.7(10) 2_345 2_345 ?
O19 Rb1 O91A 116.7(10) 3_435 3_435 ?
O28 Rb1 O28 110.2(4) 4_445 5_345 ?
O28 Rb1 O28 110.2(4) 4_445 6_335 ?
O28 Rb1 O28 110.2(4) 5_345 6_335 ?
O28 Rb1 O91A 130.8(10) 5_345 3_435 ?
O28 Rb1 O91A 130.8(10) 4_445 2_345 ?
O28 Rb1 O91A 54.6(10) 4_445 3_435 ?
O28 Rb1 O91A 130.8(10) 6_335 . ?
O28 Rb1 O91A 54.6(10) 6_335 2_345 ?
O28 Rb1 O91A 55.8(9) 4_445 . ?
O28 Rb1 O91A 55.8(9) 5_345 2_345 ?
O28 Rb1 O91A 55.8(9) 6_335 3_435 ?
O28 Rb1 O91A 54.6(10) 5_345 . ?
O91A Rb1 O91A 96.6(12) 3_435 . ?
O91A Rb1 O91A 96.6(12) 2_345 . ?
O91A Rb1 O91A 96.6(12) 2_345 3_435 ?
O88 Rb1 O19 144.0(10) . 2_345 ?
O88 Rb1 O19 117.5(11) 2_345 . ?
O88 Rb1 O19 117.5(11) . 3_435 ?
O88 Rb1 O19 120.3(11) 3_435 3_435 ?
O88 Rb1 O19 117.5(11) 3_435 2_345 ?
O88 Rb1 O19 144.0(10) 3_435 . ?
O88 Rb1 O19 120.3(11) . . ?
O88 Rb1 O19 144.0(10) 2_345 3_435 ?
O88 Rb1 O19 120.3(11) 2_345 2_345 ?
O88 Rb1 O28 73.6(11) . 4_445 ?
O88 Rb1 O28 56.7(10) 3_435 4_445 ?
O88 Rb1 O28 73.6(11) 2_345 5_345 ?
O88 Rb1 O28 56.7(10) 2_345 6_335 ?
O88 Rb1 O28 84.5(10) . 6_335 ?
O88 Rb1 O28 56.7(10) . 5_345 ?
O88 Rb1 O28 84.5(10) 2_345 4_445 ?
O88 Rb1 O28 73.6(11) 3_435 6_335 ?
O88 Rb1 O28 84.5(10) 3_435 5_345 ?
O88 Rb1 O91A 47.0(13) 2_345 2_345 ?
O88 Rb1 O91A 74.4(13) 2_345 . ?
O88 Rb1 O91A 74.4(13) 3_435 2_345 ?
O88 Rb1 O91A 59.4(14) . 2_345 ?
O88 Rb1 O91A 47.0(13) 3_435 3_435 ?
O88 Rb1 O91A 59.4(14) 3_435 . ?
O88 Rb1 O91A 47.0(13) . . ?
O88 Rb1 O91A 59.4(14) 2_345 3_435 ?
O88 Rb1 O91A 74.4(13) . 3_435 ?
O88 Rb1 O88 27.8(15) . 3_435 ?
O88 Rb1 O88 27.8(15) 2_345 3_435 ?
O88 Rb1 O88 27.8(15) . 2_345 ?
O24 Rb2 O26 85.3(5) 8_335 4_445 ?
O24 Rb2 O30 74.3(8) 8_335 7_545 ?
O24 Rb2 O31 156.2(7) 8_335 5_345 ?
O24 Rb2 O32 92.1(6) 8_335 7_544 ?
O24 Rb2 O91 117.9(10) 8_335 6_435 ?
O24 Rb2 O91B 141.2(11) 8_335 . ?
O24 Rb2 O96 71.6(9) 8_335 . ?
O26 Rb2 O30 159.5(8) 4_445 7_545 ?
O26 Rb2 O31 89.5(5) 4_445 5_345 ?
O26 Rb2 O32 69.4(5) 4_445 7_544 ?
O26 Rb2 O91 144.1(9) 4_445 6_435 ?
O26 Rb2 O91B 66.7(11) 4_445 . ?
O26 Rb2 O96 117.4(10) 4_445 . ?
O27 Rb2 O24 83.8(7) . 8_335 ?
O27 Rb2 O26 85.0(6) . 4_445 ?
O27 Rb2 O30 94.5(7) . 7_545 ?
O27 Rb2 O31 72.5(6) . 5_345 ?
O27 Rb2 O32 154.4(7) . 7_544 ?
O27 Rb2 O91 71.8(10) . 6_435 ?
O27 Rb2 O91B 117.9(11) . . ?
O27 Rb2 O96 144.2(10) . . ?
O30 Rb2 O31 110.0(7) 7_545 5_345 ?
O30 Rb2 O32 108.7(7) 7_545 7_544 ?
O30 Rb2 O91 52.8(10) 7_545 6_435 ?
O30 Rb2 O91B 129.8(11) 7_545 . ?
O30 Rb2 O96 54.5(10) 7_545 . ?
O31 Rb2 O32 107.8(6) 5_345 7_544 ?
O31 Rb2 O91 58.0(9) 5_345 6_435 ?
O31 Rb2 O91B 54.2(11) 5_345 . ?
O31 Rb2 O96 130.7(9) 5_345 . ?
O32 Rb2 O91 131.1(10) 7_544 6_435 ?
O32 Rb2 O91B 54.0(11) 7_544 . ?
O32 Rb2 O96 54.9(10) 7_544 . ?
O91 Rb2 O91B 100.0(14) 6_435 . ?
O91 Rb2 O96 96.8(12) 6_435 . ?
O92A Rb2 O24 146.5(9) . 8_335 ?
O92A Rb2 O26 117.9(9) . 4_445 ?
O92A Rb2 O27 119.9(10) . . ?
O92A Rb2 O30 80.1(10) . 7_545 ?
O92A Rb2 O31 54.7(9) . 5_345 ?
O92A Rb2 O32 75.9(9) . 7_544 ?
O92A Rb2 O91 57.5(12) . 6_435 ?
O92A Rb2 O91B 51.2(13) . . ?
O92A Rb2 O96 76.0(11) . . ?
O92 Rb2 O24 118.2(10) . 8_335 ?
O92 Rb2 O26 119.0(9) . 4_445 ?
O92 Rb2 O27 147.0(10) . . ?
O92 Rb2 O30 70.9(10) . 7_545 ?
O92 Rb2 O31 84.6(10) . 5_345 ?
O92 Rb2 O32 55.4(9) . 7_544 ?
O92 Rb2 O91 75.9(12) . 6_435 ?
O92 Rb2 O91B 61.0(14) . . ?
O92 Rb2 O92A 30.4(12) . . ?
O92 Rb2 O96 46.7(12) . . ?
O92B Rb2 O27 120.8(13) . . ?
O92B Rb2 O32 82.8(13) . 7_544 ?
O92B Rb2 O91B 76.6(16) . . ?
O92B Rb2 O92A 27.1(14) . . ?
O92B Rb2 O92 27.4(14) . . ?
O92B Rb2 O96 58.2(15) . . ?
O96 Rb2 O91B 97.2(13) . . ?
N6 O1 Eu2 97.9(16) . . ?
N7 O2 Eu2 96.9(13) . . ?
N2 O3 Eu2 95.6(12) . . ?
N6 O4 Eu2 98.0(17) . . ?
N3 O5 Eu2 96.0(12) . . ?
N4 O6 Eu2 96.6(15) . . ?
N5 O7 Eu2 96.0(14) . . ?
N7 O8 Eu2 93.9(14) . . ?
N2 O9 Eu2 95.1(14) . . ?
N5 O10 Eu2 100.3(15) . . ?
N3 O11 Eu2 100.8(14) . . ?
O7 N5 Eu2 58.6(12) . . ?
O10 N5 Eu2 57.0(13) . . ?
O10 N5 O7 116(2) . . ?
O10 N5 O31 126(2) . . ?
O31 N5 Eu2 176.1(18) . . ?
O31 N5 O7 119(2) . . ?
N4 O13 Eu2 99.7(15) . . ?
O6 N4 Eu2 58.5(12) . . ?
O13 N4 Eu2 56.2(12) . . ?
O13 N4 O6 114(2) . . ?
O28 N4 Eu2 178(2) . . ?
O28 N4 O6 124(3) . . ?
O28 N4 O13 122(3) . . ?
N10 O16 Eu1 95.0(14) . . ?
N1 O17 Eu1 97.5(16) . . ?
O5 N3 Eu2 59.0(10) . . ?
O11 N3 Eu2 55.9(11) . . ?
O11 N3 O5 114.8(18) . . ?
O30 N3 Eu2 172(2) . . ?
O30 N3 O5 113(2) . . ?
O30 N3 O11 132(3) . . ?
N7 O19 Rb1 174.7(19) . . ?
O2 N7 Eu2 58.0(12) . . ?
O2 N7 O8 119(2) . . ?
O8 N7 Eu2 60.7(12) . . ?
O19 N7 Eu2 177.0(16) . . ?
O19 N7 O2 123(2) . . ?
O19 N7 O8 119(2) . . ?
O17 N1 Eu1 59.8(13) . . ?
O17 N1 O32 129(3) . . ?
O17 N1 O20 119(2) . . ?
O32 N1 Eu1 171(2) . . ?
O20 N1 Eu1 59.6(13) . . ?
O20 N1 O32 111(3) . . ?
O3 N2 Eu2 59.2(11) . . ?
O9 N2 Eu2 60.6(12) . . ?
O9 N2 O3 119.8(19) . . ?
O9 N2 O26 122(2) . . ?
O26 N2 Eu2 176.5(15) . . ?
O26 N2 O3 118.4(19) . . ?
N6 O24 Rb2 173(2) . 6_434 ?
O1 N6 Eu2 56.7(14) . . ?
O4 N6 Eu2 58.0(14) . . ?
O4 N6 O1 115(2) . . ?
O4 N6 O24 120(3) . . ?
O24 N6 Eu2 174.1(19) . . ?
O24 N6 O1 125(3) . . ?
N2 O26 Rb2 178.7(14) . 7_554 ?
N10 O27 Rb2 172(2) . . ?
N4 O28 Rb1 155(2) . 7_554 ?
O16 N10 Eu1 58.8(11) . . ?
O27 N10 Eu1 174.9(18) . . ?
O27 N10 O16 116(2) . . ?
O41 N10 Eu1 57.3(12) . . ?
O41 N10 O16 116(2) . . ?
O41 N10 O27 128(2) . . ?
N3 O30 Rb2 167(2) . 4_454 ?
N5 O31 Rb2 159.0(16) . 9_434 ?
N1 O32 Rb2 149(2) . 4_455 ?
C37 N9 C37 109(2) 3_535 2_335 ?
C37 N9 C37 109(2) . 2_335 ?
C37 N9 C37 109(2) . 3_535 ?
C37 N9 C41 110(2) 3_535 . ?
C37 N9 C41 110(2) . . ?
C37 N9 C41 110(2) 2_335 . ?
C36 N8 C39 107(3) . . ?
C36 N8 C40 112(2) . . ?
C36 N8 C49 112(2) . . ?
C39 N8 C40 112(2) . . ?
C39 N8 C49 104(2) . . ?
C40 N8 C49 108(2) . . ?
C46 O91 Rb2 127(3) . 8_334 ?
C48 O91B Rb2 128(4) . . ?
C47 O91A Rb1 130(3) . . ?
C46 C35 C47 109(2) . . ?
C46 C35 C48 108(2) . . ?
C47 C35 C48 106(2) . . ?
N8 C36 C46 110(2) . . ?
N8 C39 C47 105(2) . . ?
N8 C40 C48 112(2) . . ?
O91 C46 C35 112(3) . . ?
O91 C46 C36 115(3) . . ?
C35 C46 C36 108(2) . . ?
O91A C47 C35 112(3) . . ?
O91A C47 C39 123(3) . . ?
C35 C47 C39 114(3) . . ?
O91B C48 C35 112(4) . . ?
O91B C48 C40 117(4) . . ?
C40 C48 C35 108(2) . . ?
N9 C37 C59 113(3) . . ?
C59 C38 C59 106.9(18) 3_535 2_335 ?
C59 C38 C59 106.9(18) . 2_335 ?
C59 C38 C59 106.9(18) . 3_535 ?
C37 C59 C38 108(3) . . ?
O96 C59 C37 122(4) . . ?
O96 C59 C38 104(3) . . ?
N1 O20 Eu1 95.1(17) . . ?
O92 O92A Rb2 73(2) . . ?
O92 O92A C85 92(3) . . ?
O92 O92A C86 72(3) . . ?
O92B O92A Rb2 70(3) . . ?
O92B O92A O92 55(3) . . ?
O92B O92A C85 64(3) . . ?
O92B O92A C86 100(4) . . ?
C85 O92A Rb2 133(3) . . ?
C86 O92A Rb2 142(3) . . ?
C86 O92A C85 62(3) . . ?
O92A O92 Rb2 77(2) . . ?
O92A O92 C86 54(2) . . ?
O92A O92 C88 99(3) . . ?
O92B O92 Rb2 72(3) . . ?
O92B O92 O92A 56(3) . . ?
O92B O92 C86 89(4) . . ?
O92B O92 C88 86(4) . . ?
C86 O92 Rb2 129(3) . . ?
C88 O92 Rb2 156(3) . . ?
C88 O92 C86 57(2) . . ?
O92A O92B Rb2 83(3) . . ?
O92A O92B C85 73(4) . . ?
O92 O92B Rb2 80(3) . . ?
O92 O92B O92A 69(4) . . ?
O92 O92B C85 103(4) . . ?
C85 O92B Rb2 152(4) . . ?
C90 C84 C87 87(5) . . ?
O92A C85 C88 81(3) . . ?
O92B C85 O92A 43(3) . . ?
O92B C85 C86 76(3) . . ?
O92B C85 C88 69(3) . . ?
C86 C85 O92A 49(2) . . ?
C86 C85 C88 53(2) . . ?
C89 C85 O92A 153(4) . . ?
C89 C85 O92B 155(5) . . ?
C89 C85 C86 106(4) . . ?
C89 C85 C88 91(4) . . ?
O92A C86 O92 54(3) . . ?
O92A C86 C85 69(3) . . ?
O92A C86 C88 102(4) . . ?
O92A C86 C90 132(4) . . ?
O92 C86 C85 87(3) . . ?
C88 C86 O92 61(3) . . ?
C88 C86 C85 69(3) . . ?
C90 C86 O92 167(4) . . ?
C90 C86 C85 86(4) . . ?
C90 C86 C88 106(4) . . ?
C88 C87 C84 93(4) . . ?
C88 C87 C89 104(3) . . ?
C89 C87 C84 98(4) . . ?
C91 C87 C84 131(4) . . ?
C91 C87 C88 103(3) . . ?
C91 C87 C89 122(4) . . ?
O92 C88 C85 82(3) . . ?
C86 C88 O92 62(3) . . ?
C86 C88 C85 58(3) . . ?
C87 C88 O92 157(3) . . ?
C87 C88 C85 79(3) . . ?
C87 C88 C86 97(3) . . ?
C85 C89 C87 86(3) . . ?
C9 C89 C85 94(5) . . ?
C9 C89 C87 139(5) . . ?
C84 C90 C86 97(5) . . ?
N10 O41 Eu1 99.0(15) . . ?
C82 C82 C82 60.002(7) 2_345 3_435 ?
C97 C82 C82 106(2) . 3_435 ?
C97 C82 C82 83(3) . 2_345 ?
C99 C82 C82 163(5) . 2_345 ?
C99 C82 C82 128(6) . 3_435 ?
C99 C82 C97 107(4) . . ?
C82 C97 O88 149(4) . . ?
C59 O96 Rb2 123(3) . . ?
C97 O88 Rb1 164(3) . . ?
O88 O88 Rb1 76.1(7) 3_435 . ?
O88 O88 Rb1 76.1(7) 2_345 . ?
O88 O88 C97 106.7(17) 2_345 . ?
O88 O88 C97 92(3) 3_435 . ?
O88 O88 O88 60.001(16) 2_345 3_435 ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT043_1                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      96.70 Check 
RESPONSE: ...The disordered molecule was not modeled as the chemical sense.
;
_vrf_PLAT241_1                   
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C88 Check 
RESPONSE: ...This is due to disorder.
;
_vrf_PLAT315_1                   
;
PROBLEM: Singly Bonded Carbon Detected (H-atoms Missing).         C9 Check 
RESPONSE: ...The disordered molecule was not modeled as the chemical sense.
;
_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.06591 Ang.  
RESPONSE: ...This is due to disorder.
;
_vrf_PLAT430_1                   
;
PROBLEM: Short Inter D...A Contact  O88      ..O91A     .       2.56 Ang.  
RESPONSE: ...The H atoms was not modeled because of disorder.
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_vrf_PLAT972_1                   
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PROBLEM: Check Calcd Resid. Dens.  1.19A   From Eu1            -2.94 eA-3  
RESPONSE: ...This is due to disorder.
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_vrf_PLAT987_1                   
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PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check 
RESPONSE: ...This  disorder causes the deviation of the Flack value from the theoretical value.
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_exptl_crystal_preparation       Luminescent
