# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_193k
_database_code_depnum_ccdc_archive 'CCDC 2310567'
loop_
_audit_author_name
_audit_author_address
'Huakai Li'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2023-12-15 deposited with the CCDC.	2024-07-30 downloaded from the CCDC.
;
_audit_creation_date             2023-12-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Eu N6 O18 Rb, C8 H22 Cl2 N2'
_chemical_formula_sum            'C8 H22 Cl2 Eu N8 O18 Rb'
_chemical_formula_weight         826.66
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N Cl 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'
Cl Cl 0.1484 0.1585 '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      monoclinic
_space_group_IT_number           12
_space_group_name_H-M_alt        'I 1 2/m 1'
_space_group_name_Hall           '-I 2y'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   9.9367(13)
_cell_length_b                   9.6137(13)
_cell_length_c                   13.8856(15)
_cell_angle_alpha                90
_cell_angle_beta                 95.863(10)
_cell_angle_gamma                90
_cell_volume                     1319.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1989
_cell_measurement_temperature    192.97(10)
_cell_measurement_theta_max      30.8900
_cell_measurement_theta_min      2.5190
_shelx_estimated_absorpt_T_max   0.662
_shelx_estimated_absorpt_T_min   0.614
_exptl_absorpt_coefficient_mu    4.502
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0919
_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4111
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        24.990
_diffrn_reflns_theta_max         24.990
_diffrn_reflns_theta_min         2.408
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      192.97(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -18.00  62.00   0.50    0.42    --   -5.54  45.00-114.00  160
  2  ω    -18.00   7.00   0.50    0.42    --   -5.54 -99.00 -90.00   50
  3  ω    -14.00  16.00   0.50    0.42    --   -5.54 -99.00 -30.00   60
  4  ω    -15.00  27.00   0.50    0.42    --   -5.54 -99.00  30.00   84
  5  ω    -73.00   7.00   0.50    0.42    --   -5.54 -45.00  94.00  160
;
_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      -0.0401699000
_diffrn_orient_matrix_UB_12      0.0290526000
_diffrn_orient_matrix_UB_13      -0.0401860000
_diffrn_orient_matrix_UB_21      0.0076959000
_diffrn_orient_matrix_UB_22      -0.0617372000
_diffrn_orient_matrix_UB_23      -0.0268145000
_diffrn_orient_matrix_UB_31      -0.0589410000
_diffrn_orient_matrix_UB_32      -0.0280674000
_diffrn_orient_matrix_UB_33      0.0174523000
_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                1092
_reflns_number_total             1226
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         24.414
_refine_diff_density_min         -3.565
_refine_diff_density_rms         1.134
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.542
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     131
_refine_ls_number_reflns         1226
_refine_ls_number_restraints     203
_refine_ls_R_factor_all          0.2428
_refine_ls_R_factor_gt           0.2346
_refine_ls_restrained_S_all      2.340
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.5006
_refine_ls_wR_factor_ref         0.5148
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: -4(10)
 5(10)
2. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 N1-O3
 1.25 with sigma of 0.02
 N3-C4 = N3-C2 = N3-C1 = N3-C3
 1.5 with sigma of 0.02
 N3-C1 = N3-C3 = N3-C2 = N3-C4
 1.5 with sigma of 0.02
 O1-N1 = O2-N1 = O3-N1
 1.26 with sigma of 0.01
 C4-C3 \\sim C4-C2 \\sim C4-C1
 with sigma of 0.01
 N3-C3 \\sim N3-C4 \\sim N3-C1 \\sim N3-C2
 with sigma of 0.01
 C3-C2 \\sim C3-C1 \\sim C2-C1
 with sigma of 0.01
 O2-N1 \\sim O1-N1
 with sigma of 0.01
 O4-N2 \\sim O5-N2 \\sim O6-N2
 with sigma of 0.02
 O4-O5 \\sim O6-O4
 with sigma of 0.01
 O1-O3 \\sim O2-O3
 with sigma of 0.01
 Eu1-O1 \\sim Eu1-O2
 with sigma of 0.02
4. Restrained planarity
 O2, N1, O1, O3
 with sigma of 0.1
5. Uiso/Uaniso restraints and constraints
Cl1 \\sim C1 \\sim N3 \\sim C4 \\sim C2 \\sim C3: within 2A with sigma of 0.001
and sigma for terminal atoms of 0.002 within 2A
N1 \\sim O3: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
O3 \\sim N1 \\sim O1 \\sim O2: within 2A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 2A
O3 \\sim O2 \\sim N1 \\sim O1: within 2A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 2A
O4 \\sim N2 \\sim O5 \\sim O6: within 2A with sigma of 0.001 and sigma for
terminal atoms of 0.002 within 2A
Uanis(O2) \\sim Ueq, Uanis(Eu1) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(N1) \\sim
Ueq, Uanis(O3) \\sim Ueq, Uanis(Rb1) \\sim Ueq, Uanis(O4) \\sim Ueq, Uanis(Cl1)
\\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(O5) \\sim Ueq,
Uanis(O6) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(C3) \\sim Ueq, Uanis(C2) \\sim
Ueq, Uanis(C4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.02
Uanis(C3) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(N3) \\sim
Ueq, Uanis(C1) \\sim Ueq, Uanis(Cl1) \\sim Ueq: with sigma of 0.001 and sigma
for terminal atoms of 0.002
Uanis(O5) \\sim Ueq, Uanis(N2) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(O4) \\sim Ueq, Uanis(N2) \\sim Ueq, Uanis(O6) \\sim Ueq, Uanis(O5) \\sim
Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(O2) \\sim Ueq, Uanis(N1) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(O3) \\sim
Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
6. Rigid body (RIGU) restrains
 N1, O3
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
7. Others
 Fixed Sof: C3(0.5) H3A(0.5) H3B(0.5) H3C(0.5) C1(0.5) H1A(0.5) H1B(0.5)
 C2(0.5) H2A(0.5) H2B(0.5) H2C(0.5) C4(0.5) H4A(0.5) H4B(0.5) H4C(0.5) O5(0.5)
 O6(0.5) Cl1(0.5)
8.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
8.b Me refined with riding coordinates:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C)
8.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C)
;
_atom_sites_solution_hydrogens   geom
_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 0.500000 1.000000 1.000000 0.0135(13) Uani 1 4 d DS TU P A 1
Rb1 Rb 1.000000 1.500000 1.000000 0.0214(16) Uani 1 4 d S TU P . .
N1 N 0.714(5) 1.220(5) 1.002(2) 0.151(6) Uani 1 1 d D U . . .
O3 O 0.811(5) 1.305(6) 1.002(3) 0.151(6) Uani 1 1 d D U . . .
N3 N 1.001(6) 1.000(10) 1.252(4) 0.131(7) Uani 0.5 1 d D U P B -1
C3 C 1.144(6) 1.021(18) 1.296(7) 0.131(7) Uani 0.5 1 d D U P B -1
H3A H 1.153935 0.984641 1.362025 0.197 Uiso 0.5 1 calc R U P B -1
H3B H 1.166091 1.119891 1.296285 0.197 Uiso 0.5 1 calc R U P B -1
H3C H 1.205673 0.970390 1.257046 0.197 Uiso 0.5 1 calc R U P B -1
C1 C 0.958(13) 1.108(11) 1.177(6) 0.131(7) Uani 0.5 1 d D U P B -1
H1A H 0.940085 1.191664 1.214383 0.158 Uiso 0.5 1 calc R U P B -1
H1B H 0.869118 1.075159 1.147155 0.158 Uiso 0.5 1 calc R U P B -1
C2 C 0.976(13) 0.855(10) 1.215(8) 0.131(7) Uani 0.5 1 d D U P B -1
H2A H 1.005035 0.788134 1.266516 0.197 Uiso 0.5 1 calc R U P B -1
H2B H 0.878978 0.842390 1.195501 0.197 Uiso 0.5 1 calc R U P B -1
H2C H 1.026822 0.838710 1.159406 0.197 Uiso 0.5 1 calc R U P B -1
C4 C 0.913(8) 1.020(17) 1.332(5) 0.131(7) Uani 0.5 1 d D U P B -1
H4A H 0.937115 0.951846 1.383500 0.197 Uiso 0.5 1 calc R U P B -1
H4B H 0.925997 1.114294 1.358804 0.197 Uiso 0.5 1 calc R U P B -1
H4C H 0.817882 1.007750 1.307105 0.197 Uiso 0.5 1 calc R U P B -1
N2 N 0.985(3) 1.500000 1.283(3) 0.065(5) Uani 1 2 d DS TU P . .
O5 O 0.912(6) 1.422(7) 1.331(3) 0.065(5) Uani 0.5 1 d D U P . .
O4 O 0.984(4) 1.500000 1.191(3) 0.066(5) Uani 1 2 d DS TU P . .
O6 O 1.061(6) 1.575(7) 1.342(3) 0.065(5) Uani 0.5 1 d D U P . .
O1 O 0.636(5) 1.177(6) 0.931(4) 0.151(6) Uani 1 1 d D U . . .
O2 O 0.673(5) 1.158(6) 1.073(3) 0.151(6) Uani 1 1 d D U . . .
Cl1 Cl 1.028(4) 1.162(6) 1.093(3) 0.132(7) Uani 0.5 1 d . U P B -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O6 2.45(5) 3_444 ?
Eu1 O6 2.45(5) 4_647 ?
Eu1 O6 2.45(5) 8_474 ?
Eu1 O6 2.45(5) 7_677 ?
Eu1 O1 2.43(5) . ?
Eu1 O1 2.43(5) 6_575 ?
Eu1 O1 2.43(5) 5_677 ?
Eu1 O1 2.43(5) 2_657 ?
Eu1 O2 2.43(5) . ?
Eu1 O2 2.43(5) 2_657 ?
Eu1 O2 2.43(5) 5_677 ?
Eu1 O2 2.43(5) 6_575 ?
Rb1 O3 2.66(6) 6_585 ?
Rb1 O3 2.66(6) . ?
Rb1 O3 2.66(6) 2_757 ?
Rb1 O3 2.66(6) 5_787 ?
Rb1 O4 2.67(4) 5_787 ?
Rb1 O4 2.67(4) . ?
Rb1 O4 2.67(4) 6_585 ?
N1 O3 1.258(10) . ?
N1 O1 1.258(9) . ?
N1 O2 1.257(9) . ?
N3 C3 1.500(10) . ?
N3 C1 1.500(9) . ?
N3 C2 1.500(10) . ?
N3 C4 1.500(9) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 Cl1 1.51(11) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
N2 O5 1.28(3) 6_585 ?
N2 O5 1.28(3) . ?
N2 O4 1.27(3) . ?
N2 O4 1.27(3) 6_585 ?
N2 O6 1.27(3) 6_585 ?
N2 O6 1.27(3) . ?
O4 O4 0.00(8) 6_585 ?
O6 O1 1.70(6) 3 ?

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
O6 Eu1 O6 34(3) 3_444 8_474 ?
O6 Eu1 O6 180.000(19) 8_474 4_647 ?
O6 Eu1 O6 146(3) 3_444 4_647 ?
O6 Eu1 O6 179.999(14) 3_444 7_677 ?
O6 Eu1 O6 34(3) 4_647 7_677 ?
O6 Eu1 O6 146(3) 8_474 7_677 ?
O1 Eu1 O6 139.2(16) 2_657 8_474 ?
O1 Eu1 O6 139.2(16) . 7_677 ?
O1 Eu1 O6 40.8(16) 6_575 8_474 ?
O1 Eu1 O6 40.8(16) . 3_444 ?
O1 Eu1 O6 110(2) 6_575 7_677 ?
O1 Eu1 O6 110(2) . 4_647 ?
O1 Eu1 O6 70(2) . 8_474 ?
O1 Eu1 O6 139.2(16) 5_677 3_444 ?
O1 Eu1 O6 40.8(16) 5_677 7_677 ?
O1 Eu1 O6 70(2) 6_575 3_444 ?
O1 Eu1 O6 70(2) 2_657 7_677 ?
O1 Eu1 O6 40.8(16) 2_657 4_647 ?
O1 Eu1 O6 110(2) 2_657 3_444 ?
O1 Eu1 O6 70(2) 5_677 4_647 ?
O1 Eu1 O6 139.2(16) 6_575 4_647 ?
O1 Eu1 O6 110(2) 5_677 8_474 ?
O1 Eu1 O1 91(3) . 2_657 ?
O1 Eu1 O1 91(3) 5_677 6_575 ?
O1 Eu1 O1 89(3) . 6_575 ?
O1 Eu1 O1 89(3) 5_677 2_657 ?
O1 Eu1 O1 180(2) 6_575 2_657 ?
O1 Eu1 O1 180.0(18) . 5_677 ?
O2 Eu1 O6 71(2) 2_657 3_444 ?
O2 Eu1 O6 87.8(16) 2_657 4_647 ?
O2 Eu1 O6 92.2(16) 5_677 3_444 ?
O2 Eu1 O6 109(2) . 8_474 ?
O2 Eu1 O6 71(2) 6_575 7_677 ?
O2 Eu1 O6 87.8(16) 6_575 8_474 ?
O2 Eu1 O6 109(2) 6_575 3_444 ?
O2 Eu1 O6 109(2) 2_657 7_677 ?
O2 Eu1 O6 92.2(16) . 7_677 ?
O2 Eu1 O6 87.8(16) . 3_444 ?
O2 Eu1 O6 87.8(16) 5_677 7_677 ?
O2 Eu1 O6 71(2) . 4_647 ?
O2 Eu1 O6 92.2(16) 6_575 4_647 ?
O2 Eu1 O6 71(2) 5_677 8_474 ?
O2 Eu1 O6 92.2(16) 2_657 8_474 ?
O2 Eu1 O6 109(2) 5_677 4_647 ?
O2 Eu1 O1 132.2(18) . 5_677 ?
O2 Eu1 O1 47.8(18) . . ?
O2 Eu1 O1 132.2(18) 2_657 6_575 ?
O2 Eu1 O1 78.2(19) . 2_657 ?
O2 Eu1 O1 47.8(18) 6_575 6_575 ?
O2 Eu1 O1 47.8(18) 5_677 5_677 ?
O2 Eu1 O1 78(2) 2_657 . ?
O2 Eu1 O1 102(2) 2_657 5_677 ?
O2 Eu1 O1 102(2) . 6_575 ?
O2 Eu1 O1 102(2) 6_575 . ?
O2 Eu1 O1 78.2(19) 5_677 6_575 ?
O2 Eu1 O1 47.8(18) 2_657 2_657 ?
O2 Eu1 O1 132.2(18) 5_677 . ?
O2 Eu1 O1 132.2(18) 6_575 2_657 ?
O2 Eu1 O1 102(2) 5_677 2_657 ?
O2 Eu1 O1 78(2) 6_575 5_677 ?
O2 Eu1 O2 103(3) . 2_657 ?
O2 Eu1 O2 103(3) 6_575 5_677 ?
O2 Eu1 O2 77(3) . 6_575 ?
O2 Eu1 O2 180.000(17) 6_575 2_657 ?
O2 Eu1 O2 77(3) 5_677 2_657 ?
O2 Eu1 O2 180.0 . 5_677 ?
O3 Rb1 O3 90(2) . 2_757 ?
O3 Rb1 O3 90(2) . 6_585 ?
O3 Rb1 O3 90(2) 5_787 6_585 ?
O3 Rb1 O3 90(2) 5_787 2_757 ?
O3 Rb1 O3 180.0 . 5_787 ?
O3 Rb1 O3 180.0(18) 2_757 6_585 ?
O3 Rb1 O4 97.1(11) . 5_787 ?
O3 Rb1 O4 97.1(11) 5_787 6_585 ?
O3 Rb1 O4 82.9(11) 6_585 . ?
O3 Rb1 O4 82.9(11) 5_787 5_787 ?
O3 Rb1 O4 82.9(11) 6_585 6_585 ?
O3 Rb1 O4 82.9(11) 2_757 5_787 ?
O3 Rb1 O4 82.9(11) . 6_585 ?
O3 Rb1 O4 97.1(11) 6_585 5_787 ?
O3 Rb1 O4 97.1(11) 2_757 6_585 ?
O3 Rb1 O4 82.9(11) . . ?
O3 Rb1 O4 97.1(11) 5_787 . ?
O3 Rb1 O4 97.1(11) 2_757 . ?
O4 Rb1 O4 180.000(13) 5_787 . ?
O4 Rb1 O4 180.000(13) 5_787 6_585 ?
O4 Rb1 O4 0.0(18) . 6_585 ?
O3 N1 Eu1 175(3) . . ?
O3 N1 O1 128(3) . . ?
O1 N1 Eu1 52(3) . . ?
O2 N1 Eu1 52(3) . . ?
O2 N1 O3 128(3) . . ?
O2 N1 O1 103(6) . . ?
N1 O3 Rb1 175(4) . . ?
C3 N3 C4 107(3) . . ?
C1 N3 C3 112(3) . . ?
C1 N3 C2 112(3) . . ?
C1 N3 C4 106(3) . . ?
C2 N3 C3 112(3) . . ?
C2 N3 C4 106(3) . . ?
N3 C3 H3A 109.5 . . ?
N3 C3 H3B 109.5 . . ?
N3 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N3 C1 H1A 104.5 . . ?
N3 C1 H1B 104.5 . . ?
N3 C1 Cl1 131(9) . . ?
H1A C1 H1B 105.6 . . ?
Cl1 C1 H1A 104.5 . . ?
Cl1 C1 H1B 104.5 . . ?
N3 C2 H2A 109.5 . . ?
N3 C2 H2B 109.5 . . ?
N3 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N3 C4 H4A 109.5 . . ?
N3 C4 H4B 109.5 . . ?
N3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
O5 N2 Eu1 56(3) 6_585 3 ?
O5 N2 Eu1 56(3) . 3 ?
O5 N2 O5 71(6) . 6_585 ?
O4 N2 Eu1 178(2) 6_585 3 ?
O4 N2 Eu1 178(2) . 3 ?
O4 N2 O5 125(3) . . ?
O4 N2 O5 125(3) 6_585 . ?
O4 N2 O5 125(3) 6_585 6_585 ?
O4 N2 O5 125(3) . 6_585 ?
O4 N2 O4 0(4) 6_585 . ?
O6 N2 Eu1 52(3) 6_585 3 ?
O6 N2 Eu1 52(3) . 3 ?
O6 N2 O5 109(5) . . ?
O6 N2 O5 70(4) . 6_585 ?
O6 N2 O5 109(5) 6_585 6_585 ?
O6 N2 O5 70(4) 6_585 . ?
O6 N2 O4 126(3) 6_585 6_585 ?
O6 N2 O4 126(3) 6_585 . ?
O6 N2 O4 126(3) . . ?
O6 N2 O4 126(3) . 6_585 ?
O6 N2 O6 69(7) . 6_585 ?
N2 O5 Eu1 99(4) . 3 ?
N2 O4 Rb1 176(3) . . ?
O4 O4 Rb1 0(5) 6_585 . ?
O4 O4 N2 0(10) 6_585 . ?
N2 O6 Eu1 103(4) . 3 ?
N2 O6 O5 55(2) . 6_585 ?
N2 O6 O1 170(5) . 3 ?
O5 O6 Eu1 76(3) 6_585 3 ?
O5 O6 O1 115(4) 6_585 3 ?
O1 O6 Eu1 69(2) 3 3 ?
N1 O1 Eu1 104(4) . . ?
N1 O2 Eu1 104(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 N2 O6 O5 -62(4) 3 . . 6_585 ?
Eu1 N2 O6 O1 -42(31) 3 . . 3 ?
O3 N1 O1 Eu1 174(4) . . . . ?
O3 N1 O2 Eu1 -174(4) . . . . ?
C3 N3 C1 Cl1 47(11) . . . . ?
C2 N3 C1 Cl1 -80(10) . . . . ?
C4 N3 C1 Cl1 164(9) . . . . ?
O5 N2 O5 Eu1 -61(3) 6_585 . . 3 ?
O5 N2 O4 O4 0(100) . . . 6_585 ?
O5 N2 O4 O4 0(100) 6_585 . . 6_585 ?
O5 N2 O6 Eu1 1(5) . . . 3 ?
O5 N2 O6 Eu1 62(4) 6_585 . . 3 ?
O5 N2 O6 O5 -61(6) . . . 6_585 ?
O5 N2 O6 O1 20(32) 6_585 . . 3 ?
O5 N2 O6 O1 -41(34) . . . 3 ?
O4 N2 O5 Eu1 178(2) . . . 3 ?
O4 N2 O5 Eu1 178(2) 6_585 . . 3 ?
O4 N2 O6 Eu1 -178(2) . . . 3 ?
O4 N2 O6 Eu1 -178(2) 6_585 . . 3 ?
O4 N2 O6 O5 120(3) . . . 6_585 ?
O4 N2 O6 O5 120(3) 6_585 . . 6_585 ?
O4 N2 O6 O1 140(30) . . . 3 ?
O4 N2 O6 O1 140(30) 6_585 . . 3 ?
O6 N2 O5 Eu1 57(3) 6_585 . . 3 ?
O6 N2 O5 Eu1 -1(5) . . . 3 ?
O6 N2 O4 O4 0(100) . . . 6_585 ?
O6 N2 O4 O4 0(100) 6_585 . . 6_585 ?
O6 N2 O6 Eu1 -58(4) 6_585 . . 3 ?
O6 N2 O6 O5 -120(4) 6_585 . . 6_585 ?
O6 N2 O6 O1 -100(32) 6_585 . . 3 ?
O1 N1 O2 Eu1 6(3) . . . . ?
O2 N1 O1 Eu1 -6(3) . . . . ?

_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 2.413
_oxdiff_exptl_absorpt_empirical_full_min 0.559
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 -4(10)
2 5(10)
# start Validation Reply Form
_vrf_PLAT082_1_193k              
;
PROBLEM: High R1 Value ..................................       0.23 Report
RESPONSE: Due to the cracking of the crystal after the reversible phase transition, 
its diffraction data becomes poor at low temperatures, 
and there is disorder in the cation, resulting in poor X-ray diffraction.
Despite collecting the crystals several times, the data was not satisfactory.
;
_vrf_PLAT084_1_193k              
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.51 Report
RESPONSE: Due to the cracking of the crystal after the reversible phase transition, 
its diffraction data becomes poor at low temperatures, 
and there is disorder in the cation, resulting in poor X-ray diffraction.
Despite collecting the crystals several times, the data was not satisfactory.
;
_vrf_PLAT097_1_193k              
;
PROBLEM: Large Reported Max.  (Positive) Residual Density      24.41 eA-3  
RESPONSE: The crystal data show good at room temperature, but after reversible 
transitin at low temperature, the crystal cracks and the crystal data deteriorates.
And the cation disorder in the structure is serious. By comparing the room temperature data, 
there are no atoms in the Q peak near Eu.
;
_vrf_PLAT971_1_193k              
;
PROBLEM: Check Calcd Resid. Dens.  0.91Ang From Eu1            24.12 eA-3  
RESPONSE: According to the high-temperature structure comparison, 
we believe that there should be no Q peak near Eu.
;
_vrf_PLAT973_1_193k              
;
PROBLEM: Check Calcd Positive Resid. Density on       Eu1      14.36 eA-3  
RESPONSE: According to the high-temperature structure comparison, 
we believe that there should be no Q peak near Eu.
;
_vrf_PLAT975_1_193k              
;
PROBLEM: Check Calcd Resid. Dens.  0.78Ang From O4      .       4.63 eA-3  
RESPONSE: Due to the deterioration of crystal quality after the phase transition 
and the comparison of high temperature structure, 
we believe that there should be no Q peak near the O atom.
;
_vrf_PLAT976_1_193k              
;
PROBLEM: Check Calcd Resid. Dens.  0.54Ang From O3      .      -2.73 eA-3  
RESPONSE: Due to the deterioration of crystal quality after the phase transition 
and the comparison of high temperature structure, 
we believe that there should be no Q peak near the O atom.
;
_vrf_PLAT094_1_193k              
;
PROBLEM: Ratio of Maximum / Minimum Residual Density ....       6.85 Report
RESPONSE: The crystal data show good at room temperature, but after reversible 
transitin at low temperature, the crystal cracks and the crystal data deteriorates.
And the cation disorder in the structure is serious. By comparing the room temperature data, 
there are no atoms in the Q peak near Eu.
;
_vrf_PLAT232_1_193k              
;
PROBLEM: Hirshfeld Test Diff (M-X)  Eu1      --O1       .       23.0 s.u.  
RESPONSE: Bond involving the heaviest atom in the structure; 
relevant atomic sites have been checked and they were found 
to be consistent with the chemistry performed.
;
_vrf_PLAT241_1_193k              
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of         O1 Check 
RESPONSE: We have tried to apply several restraints but this did not make any
change in the refinement.
;
_vrf_PLAT242_1_193k              
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Eu1 Check 
RESPONSE: The alarm is caused by the absorption effect of the surrounding Eu atoms. 
The methods of ISOR, DELU and SIMU were used to constrain Eu atoms, 
but they were not successful.
;
_vrf_PLAT934_1_193k              
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..          4 Check 
RESPONSE: The four outliers are not affected by beamstop and no definitive
reason was found to omit them. The low accuracy of the two reflections
might come from the vibrating of loop during measurement caused by strong
cryo flow.
;
_vrf_PLAT972_1_193k              
;
PROBLEM: Check Calcd Resid. Dens.  1.04Ang From Eu1            -3.16 eA-3  
RESPONSE: The crystal data show good at room temperature, but after reversible 
transitin at low temperature, the crystal cracks and the crystal data deteriorates.
And the cation disorder in the structure is serious. By comparing the room temperature data, 
there are no atoms in the Q peak near Eu.
;
# end Validation Reply Form

####################################################################### 
# 
# 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_2_293k
_database_code_depnum_ccdc_archive 'CCDC 2310569'
loop_
_audit_author_name
_audit_author_address
'Huakai Li'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2023-12-15 deposited with the CCDC.	2024-07-30 downloaded from the CCDC.
;
_audit_creation_date             2023-12-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Br4 C16 Eu2 N16 O36 Rb2'
_chemical_formula_sum            'C16 Br4 Eu2 N16 O36 Rb2'
_chemical_formula_weight         1786.80
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   13.9993(6)
_cell_length_b                   13.9993(6)
_cell_length_c                   13.9993(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2743.6(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1975
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8210
_cell_measurement_theta_min      2.5030
_shelx_estimated_absorpt_T_max   0.539
_shelx_estimated_absorpt_T_min   0.485
_exptl_absorpt_coefficient_mu    7.047
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    2.163
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_unetI/netI     0.0187
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.914
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            2703
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.914
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.347
_diffrn_reflns_theta_min         2.520
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       ?
_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                250
_reflns_number_total             256
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.898
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       0.0013(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     23
_refine_ls_number_reflns         256
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0434
_refine_ls_restrained_S_all      1.154
_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)+(0.0941P)²+4.8546P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1303
_refine_ls_wR_factor_ref         0.1305
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
Uanis(Eu1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
2. Others
 Fixed Sof: O2(0.25) Br2(0.04167)
;
_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
Eu1 Eu 0.500000 1.000000 0.500000 0.0362(5) Uani 1 48 d S TU P . .
Rb1 Rb 0.500000 0.500000 0.500000 0.0437(6) Uani 1 48 d S T P . .
O1 O 0.500000 0.7018(11) 0.500000 0.220(15) Uani 1 8 d S T P . .
O2 O 0.500000 0.8340(8) 0.4240(9) 0.096(3) Uani 0.5 2 d S T P . .
N1 N 0.500000 0.7861(11) 0.500000 0.098(5) Uani 1 8 d S T P . .
N2 N 0.250000 0.750000 0.250000 0.092(12) Uani 1 24 d S T P . .
Br2 Br 0.3482(6) 0.6518(6) 0.3482(6) 0.46(3) Uani 0.25 6 d S T P . .
C1 C 0.3086(14) 0.6914(14) 0.3086(14) 0.24(2) Uani 1 6 d S T 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 O2 2.556(10) 117_675 ?
Eu1 O2 2.556(10) 177_666 ?
Eu1 O2 2.556(10) 29_554 ?
Eu1 O2 2.556(10) 21_556 ?
Eu1 O2 2.556(10) 118_656 ?
Eu1 O2 2.556(10) 138_566 ?
Eu1 O2 2.556(10) 125_666 ?
Eu1 O2 2.556(10) 97_676 ?
Eu1 O2 2.556(10) 81_455 ?
Eu1 O2 2.556(10) 42_654 ?
Eu1 O2 2.556(10) 182_455 ?
Eu1 O2 2.556(10) 86_666 ?
Rb1 O1 2.824(16) . ?
Rb1 O1 2.824(16) 101_666 ?
Rb1 O1 2.824(16) 97_666 ?
Rb1 O1 2.824(16) 105_666 ?
Rb1 O1 2.824(16) 9 ?
Rb1 O1 2.824(16) 5 ?
Rb1 Br2 3.681(15) 99_565 ?
Rb1 Br2 3.681(15) 97_666 ?
Rb1 Br2 3.681(15) 2_665 ?
Rb1 Br2 3.681(15) 3_656 ?
Rb1 Br2 3.681(15) 100_655 ?
Rb1 Br2 3.681(15) 98_556 ?
O1 N1 1.18(2) . ?
O2 O2 1.506(18) 21_556 ?
O2 O2 1.78(3) 42_654 ?
O2 O2 1.506(18) 118_656 ?
O2 N1 1.258(15) . ?
N2 C1 1.42(3) . ?
N2 C1 1.42(3) 74_565 ?
N2 C1 1.42(3) 51 ?
N2 C1 1.42(3) 28_565 ?
Br2 C1 0.96(3) . ?

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
O2 Eu1 O2 180.0 117_675 21_556 ?
O2 Eu1 O2 90.000(2) 81_455 118_656 ?
O2 Eu1 O2 112.2(2) 97_676 81_455 ?
O2 Eu1 O2 67.8(2) 117_675 138_566 ?
O2 Eu1 O2 100.0(2) 42_654 177_666 ?
O2 Eu1 O2 112.2(2) 21_556 138_566 ?
O2 Eu1 O2 49.2(6) 21_556 118_656 ?
O2 Eu1 O2 34.3(4) 117_675 97_676 ?
O2 Eu1 O2 40.8(6) 117_675 177_666 ?
O2 Eu1 O2 145.7(4) 21_556 97_676 ?
O2 Eu1 O2 34.3(4) 86_666 177_666 ?
O2 Eu1 O2 40.8(6) 138_566 97_676 ?
O2 Eu1 O2 112.2(2) 125_666 81_455 ?
O2 Eu1 O2 112.2(2) 117_675 42_654 ?
O2 Eu1 O2 100.0(2) 29_554 118_656 ?
O2 Eu1 O2 67.8(2) 21_556 42_654 ?
O2 Eu1 O2 139.2(6) 29_554 86_666 ?
O2 Eu1 O2 180.0 138_566 42_654 ?
O2 Eu1 O2 80.0(2) 138_566 177_666 ?
O2 Eu1 O2 139.2(6) 97_676 42_654 ?
O2 Eu1 O2 112.2(2) 29_554 177_666 ?
O2 Eu1 O2 112.2(2) 117_675 182_455 ?
O2 Eu1 O2 40.8(6) 21_556 81_455 ?
O2 Eu1 O2 67.8(2) 21_556 182_455 ?
O2 Eu1 O2 34.3(4) 182_455 81_455 ?
O2 Eu1 O2 112.2(2) 138_566 182_455 ?
O2 Eu1 O2 180.0 177_666 81_455 ?
O2 Eu1 O2 100.0(2) 97_676 182_455 ?
O2 Eu1 O2 67.8(2) 42_654 118_656 ?
O2 Eu1 O2 67.8(2) 42_654 182_455 ?
O2 Eu1 O2 67.8(2) 86_666 118_656 ?
O2 Eu1 O2 100.0(2) 117_675 29_554 ?
O2 Eu1 O2 180.0 182_455 86_666 ?
O2 Eu1 O2 80.0(2) 21_556 29_554 ?
O2 Eu1 O2 40.8(6) 125_666 86_666 ?
O2 Eu1 O2 145.7(4) 138_566 29_554 ?
O2 Eu1 O2 139.2(6) 21_556 177_666 ?
O2 Eu1 O2 112.2(2) 97_676 29_554 ?
O2 Eu1 O2 67.8(2) 97_676 177_666 ?
O2 Eu1 O2 34.3(4) 42_654 29_554 ?
O2 Eu1 O2 145.7(4) 182_455 177_666 ?
O2 Eu1 O2 40.8(6) 182_455 29_554 ?
O2 Eu1 O2 67.8(2) 125_666 177_666 ?
O2 Eu1 O2 80.0(2) 117_675 125_666 ?
O2 Eu1 O2 139.2(6) 117_675 81_455 ?
O2 Eu1 O2 100.0(2) 21_556 125_666 ?
O2 Eu1 O2 100.0(2) 138_566 81_455 ?
O2 Eu1 O2 34.3(4) 138_566 125_666 ?
O2 Eu1 O2 80.0(2) 42_654 81_455 ?
O2 Eu1 O2 67.8(2) 97_676 125_666 ?
O2 Eu1 O2 67.8(2) 29_554 81_455 ?
O2 Eu1 O2 145.7(4) 42_654 125_666 ?
O2 Eu1 O2 145.7(4) 86_666 81_455 ?
O2 Eu1 O2 139.2(6) 182_455 125_666 ?
O2 Eu1 O2 130.8(6) 117_675 118_656 ?
O2 Eu1 O2 180.0 29_554 125_666 ?
O2 Eu1 O2 145.7(4) 97_676 118_656 ?
O2 Eu1 O2 67.8(2) 117_675 86_666 ?
O2 Eu1 O2 112.2(2) 182_455 118_656 ?
O2 Eu1 O2 112.2(2) 21_556 86_666 ?
O2 Eu1 O2 80.0(2) 125_666 118_656 ?
O2 Eu1 O2 67.8(2) 138_566 86_666 ?
O2 Eu1 O2 90.000(2) 177_666 118_656 ?
O2 Eu1 O2 80.0(2) 97_676 86_666 ?
O2 Eu1 O2 112.2(2) 42_654 86_666 ?
O2 Eu1 O2 112.2(2) 138_566 118_656 ?
O1 Rb1 O1 90.000(1) . 105_666 ?
O1 Rb1 O1 90.000(1) 9 5 ?
O1 Rb1 O1 90.000(1) 9 101_666 ?
O1 Rb1 O1 90.000(3) . 9 ?
O1 Rb1 O1 90.000(1) . 101_666 ?
O1 Rb1 O1 180.0 105_666 9 ?
O1 Rb1 O1 90.000(1) 105_666 5 ?
O1 Rb1 O1 180.0 . 97_666 ?
O1 Rb1 O1 90.000(1) 97_666 5 ?
O1 Rb1 O1 90.000(2) 105_666 97_666 ?
O1 Rb1 O1 90.000(1) 105_666 101_666 ?
O1 Rb1 O1 90.000(1) 9 97_666 ?
O1 Rb1 O1 90.000(1) 97_666 101_666 ?
O1 Rb1 O1 90.0 . 5 ?
O1 Rb1 O1 180.0 5 101_666 ?
O1 Rb1 Br2 125.264(1) 5 100_655 ?
O1 Rb1 Br2 54.736(1) 9 97_666 ?
O1 Rb1 Br2 125.264(1) 105_666 100_655 ?
O1 Rb1 Br2 125.264(1) . 2_665 ?
O1 Rb1 Br2 125.264(1) 101_666 3_656 ?
O1 Rb1 Br2 54.736(1) 9 2_665 ?
O1 Rb1 Br2 125.264(1) 97_666 100_655 ?
O1 Rb1 Br2 125.264(1) 5 2_665 ?
O1 Rb1 Br2 54.7 5 97_666 ?
O1 Rb1 Br2 54.736(1) . 98_556 ?
O1 Rb1 Br2 54.736(1) . 100_655 ?
O1 Rb1 Br2 125.264(1) 9 98_556 ?
O1 Rb1 Br2 54.736(1) 9 100_655 ?
O1 Rb1 Br2 54.736(1) 5 98_556 ?
O1 Rb1 Br2 125.264(1) . 97_666 ?
O1 Rb1 Br2 54.736(1) 101_666 100_655 ?
O1 Rb1 Br2 125.264(1) . 99_565 ?
O1 Rb1 Br2 125.264(1) 105_666 2_665 ?
O1 Rb1 Br2 125.3 9 99_565 ?
O1 Rb1 Br2 54.736(1) 97_666 2_665 ?
O1 Rb1 Br2 54.736(1) 97_666 99_565 ?
O1 Rb1 Br2 54.7 101_666 2_665 ?
O1 Rb1 Br2 125.264(2) 5 99_565 ?
O1 Rb1 Br2 54.736(1) 105_666 98_556 ?
O1 Rb1 Br2 54.736(1) 101_666 99_565 ?
O1 Rb1 Br2 125.264(1) 97_666 98_556 ?
O1 Rb1 Br2 54.736(1) . 3_656 ?
O1 Rb1 Br2 125.264(1) 101_666 98_556 ?
O1 Rb1 Br2 125.264(1) 105_666 3_656 ?
O1 Rb1 Br2 125.264(1) 105_666 97_666 ?
O1 Rb1 Br2 54.736(1) 9 3_656 ?
O1 Rb1 Br2 54.736(1) 97_666 97_666 ?
O1 Rb1 Br2 125.264(1) 97_666 3_656 ?
O1 Rb1 Br2 125.264(1) 101_666 97_666 ?
O1 Rb1 Br2 54.736(1) 5 3_656 ?
O1 Rb1 Br2 54.736(1) 105_666 99_565 ?
Br2 Rb1 Br2 109.471(1) 99_565 98_556 ?
Br2 Rb1 Br2 109.471(1) 99_565 97_666 ?
Br2 Rb1 Br2 109.5 98_556 97_666 ?
Br2 Rb1 Br2 70.5 3_656 98_556 ?
Br2 Rb1 Br2 109.471(1) 100_655 97_666 ?
Br2 Rb1 Br2 109.471(1) 100_655 98_556 ?
Br2 Rb1 Br2 180.0 99_565 3_656 ?
Br2 Rb1 Br2 180.0 2_665 98_556 ?
Br2 Rb1 Br2 70.529(1) 3_656 97_666 ?
Br2 Rb1 Br2 70.5 100_655 2_665 ?
Br2 Rb1 Br2 70.5 2_665 97_666 ?
Br2 Rb1 Br2 109.5 99_565 100_655 ?
Br2 Rb1 Br2 109.471(1) 3_656 2_665 ?
Br2 Rb1 Br2 70.529(1) 3_656 100_655 ?
Br2 Rb1 Br2 70.5 99_565 2_665 ?
N1 O1 Rb1 180.0 . . ?
O2 O2 Eu1 72.9(2) 118_656 . ?
O2 O2 Eu1 69.6(3) 42_654 . ?
O2 O2 Eu1 72.9(2) 21_556 . ?
O2 O2 O2 119.999(5) 118_656 42_654 ?
O2 O2 O2 119.999(2) 21_556 42_654 ?
O2 O2 O2 90.000(3) 118_656 21_556 ?
N1 O2 Eu1 97.6(8) . . ?
N1 O2 O2 53.2(3) . 21_556 ?
N1 O2 O2 167.2(7) . 42_654 ?
N1 O2 O2 53.2(3) . 118_656 ?
O1 N1 Eu1 180.0 . . ?
O1 N1 O2 122.2(7) . 21_556 ?
O1 N1 O2 122.2(7) . 118_656 ?
O1 N1 O2 122.2(7) . . ?
O1 N1 O2 122.2(7) . 98_556 ?
O2 N1 Eu1 57.8(7) 98_556 . ?
O2 N1 Eu1 57.8(7) 118_656 . ?
O2 N1 Eu1 57.8(7) . . ?
O2 N1 Eu1 57.8(7) 21_556 . ?
O2 N1 O2 73.5(7) . 118_656 ?
O2 N1 O2 73.5(7) 98_556 21_556 ?
O2 N1 O2 115.6(15) 118_656 21_556 ?
O2 N1 O2 73.5(7) 118_656 98_556 ?
O2 N1 O2 115.6(15) . 98_556 ?
O2 N1 O2 73.5(7) . 21_556 ?
C1 N2 C1 109.471(1) . 51 ?
C1 N2 C1 109.471(2) 28_565 74_565 ?
C1 N2 C1 109.471(2) 51 74_565 ?
C1 N2 C1 109.471(11) . 28_565 ?
C1 N2 C1 109.471(4) 51 28_565 ?
C1 N2 C1 109.471(1) . 74_565 ?
C1 Br2 Rb1 180.0(17) . . ?
Br2 C1 N2 180(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O2 N1 O1 180.000(5) . . . . ?
Eu1 O2 N1 O2 0.000(5) . . . 98_556 ?
Eu1 O2 N1 O2 -61.9(5) . . . 118_656 ?
Eu1 O2 N1 O2 61.9(5) . . . 21_556 ?
O2 O2 N1 Eu1 0.000(15) 42_654 . . . ?
O2 O2 N1 Eu1 61.9(5) 118_656 . . . ?
O2 O2 N1 Eu1 -61.9(5) 21_556 . . . ?
O2 O2 N1 O1 180.000(16) 42_654 . . . ?
O2 O2 N1 O1 -118.1(5) 118_656 . . . ?
O2 O2 N1 O1 118.1(5) 21_556 . . . ?
O2 O2 N1 O2 61.9(5) 42_654 . . 21_556 ?
O2 O2 N1 O2 -61.9(5) 42_654 . . 118_656 ?
O2 O2 N1 O2 123.9(10) 118_656 . . 21_556 ?
O2 O2 N1 O2 0.000(18) 42_654 . . 98_556 ?
O2 O2 N1 O2 -123.9(10) 21_556 . . 118_656 ?
O2 O2 N1 O2 61.9(5) 118_656 . . 98_556 ?
O2 O2 N1 O2 -61.9(5) 21_556 . . 98_556 ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT242_2_293k              
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Eu1 Check 
RESPONSE: The alarm is caused by the absorption effect of the surrounding Eu atoms. 
The methods of ISOR, DELU and SIMU were used to constrain Eu atoms, 
but they were not successful.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_293k
_database_code_depnum_ccdc_archive 'CCDC 2310568'
loop_
_audit_author_name
_audit_author_address
'Huakai Li'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2023-12-15 deposited with the CCDC.	2024-07-30 downloaded from the CCDC.
;
_audit_creation_date             2023-12-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 Cl4 N16 O36 Rb2, 0.083(Eu24)'
_chemical_formula_sum            'C16 Cl4 Eu2 N16 O36 Rb2'
_chemical_formula_weight         1608.98
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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           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                   13.9355(2)
_cell_length_b                   13.9355(2)
_cell_length_c                   13.9355(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2706.25(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2033
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.4320
_cell_measurement_theta_min      2.9090
_shelx_estimated_absorpt_T_max   0.668
_shelx_estimated_absorpt_T_min   0.621
_exptl_absorpt_coefficient_mu    4.388
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull light white'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.975
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_av_unetI/netI     0.0124
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.938
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2583
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.938
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.340
_diffrn_reflns_theta_min         2.531
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       ?
_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                256
_reflns_number_total             256
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         1.092
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       0.0018(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.175
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     26
_refine_ls_number_reflns         256
_refine_ls_number_restraints     70
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0375
_refine_ls_restrained_S_all      1.374
_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)+(0.0744P)²+4.7113P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1011
_refine_special_details          ?
_olex2_refinement_description    
;
1. Rigid bond restraints
 C1, N2, Cl1, O1, Rb1, N1, O2, Eu1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
2. Uiso/Uaniso restraints and constraints
C1 \\sim N2 \\sim Cl1: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
Uanis(N2) \\sim Ueq, Uanis(Cl1) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(N1) \\sim
Ueq, Uanis(Rb1) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(O2) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(Eu1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: O2(0.25) Cl1(0.04167)
;
_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
Rb1 Rb 0.500000 0.500000 0.500000 0.0382(4) Uani 1 48 d S TU P . .
Eu1 Eu 0.500000 0.500000 1.000000 0.0313(4) Uani 1 48 d S TU P . .
N2 N 0.750000 0.250000 0.750000 0.079(5) Uani 1 24 d S TU P . .
O2 O 0.500000 0.4243(6) 0.8347(5) 0.080(2) Uani 0.5 2 d S TU P . .
N1 N 0.500000 0.500000 0.7861(9) 0.079(3) Uani 1 8 d S TU P . .
O1 O 0.500000 0.500000 0.6982(11) 0.146(5) Uani 1 8 d S TU P . .
C1 C 0.8094(9) 0.1906(9) 0.6906(9) 0.161(6) Uani 1 6 d S TU P . .
Cl1 Cl 0.8249(17) 0.102(2) 0.6751(17) 0.126(7) Uani 0.0833 2 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
Rb1 O1 2.763(16) 105_666 ?
Rb1 O1 2.763(16) 101_666 ?
Rb1 O1 2.763(16) 5 ?
Rb1 O1 2.763(16) 9 ?
Rb1 O1 2.763(16) 97_666 ?
Rb1 O1 2.763(16) . ?
Rb1 Cl1 3.73(3) 156_556 ?
Rb1 Cl1 3.73(3) 172_655 ?
Rb1 Cl1 3.73(3) 32_645 ?
Rb1 Cl1 3.73(3) 60_564 ?
Rb1 Cl1 3.73(3) 128_565 ?
Rb1 Cl1 3.73(3) 76_456 ?
Eu1 O2 2.534(7) . ?
Eu1 O2 2.534(7) 53_455 ?
Eu1 O2 2.534(7) 149_666 ?
Eu1 O2 2.534(7) 165_665 ?
Eu1 O2 2.534(7) 129_666 ?
Eu1 O2 2.534(7) 69_456 ?
Eu1 O2 2.534(7) 42_645 ?
Eu1 O2 2.534(7) 97_667 ?
Eu1 O2 2.534(7) 33_545 ?
Eu1 O2 2.534(7) 110 ?
Eu1 O2 2.534(7) 14_667 ?
Eu1 O2 2.534(7) 138_566 ?
N2 C1 1.43(2) 28_556 ?
N2 C1 1.43(2) . ?
N2 C1 1.43(2) 51_656 ?
N2 C1 1.43(2) 74_655 ?
O2 O2 1.491(12) 109_665 ?
O2 O2 1.767(18) 42_645 ?
O2 O2 1.491(12) 110 ?
O2 N1 1.253(11) . ?
N1 O1 1.22(2) . ?
C1 Cl1 1.27(3) 55_665 ?
C1 Cl1 1.27(3) . ?
C1 Cl1 1.27(3) 34_646 ?
Cl1 Cl1 1.43(6) 34_646 ?
Cl1 Cl1 1.43(6) 55_665 ?

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 Rb1 O1 180.0 105_666 9 ?
O1 Rb1 O1 90.000(2) 97_666 101_666 ?
O1 Rb1 O1 180.0 97_666 . ?
O1 Rb1 O1 90.000(1) 105_666 97_666 ?
O1 Rb1 O1 90.000(1) 105_666 . ?
O1 Rb1 O1 90.000(1) 9 97_666 ?
O1 Rb1 O1 90.000(1) 9 101_666 ?
O1 Rb1 O1 90.000(1) 105_666 5 ?
O1 Rb1 O1 180.0 5 101_666 ?
O1 Rb1 O1 90.000(3) 9 5 ?
O1 Rb1 O1 90.0 9 . ?
O1 Rb1 O1 90.0 97_666 5 ?
O1 Rb1 O1 90.000(1) 5 . ?
O1 Rb1 O1 90.000(3) 105_666 101_666 ?
O1 Rb1 O1 90.000(1) 101_666 . ?
O1 Rb1 Cl1 49.2(2) 5 128_565 ?
O1 Rb1 Cl1 49.2(2) 97_666 76_456 ?
O1 Rb1 Cl1 130.8(2) 105_666 128_565 ?
O1 Rb1 Cl1 49.2(2) 105_666 32_645 ?
O1 Rb1 Cl1 67.5(5) 101_666 60_564 ?
O1 Rb1 Cl1 67.5(5) 97_666 32_645 ?
O1 Rb1 Cl1 112.5(6) 97_666 128_565 ?
O1 Rb1 Cl1 49.2(2) 101_666 32_645 ?
O1 Rb1 Cl1 49.2(2) 101_666 76_456 ?
O1 Rb1 Cl1 112.5(5) 105_666 172_655 ?
O1 Rb1 Cl1 130.8(2) . 60_564 ?
O1 Rb1 Cl1 130.8(2) 97_666 172_655 ?
O1 Rb1 Cl1 49.2(2) 9 128_565 ?
O1 Rb1 Cl1 130.8(2) 101_666 172_655 ?
O1 Rb1 Cl1 67.5(5) 105_666 76_456 ?
O1 Rb1 Cl1 67.5(5) . 128_565 ?
O1 Rb1 Cl1 130.8(2) 105_666 156_556 ?
O1 Rb1 Cl1 130.8(2) 9 32_645 ?
O1 Rb1 Cl1 49.2(2) 9 156_556 ?
O1 Rb1 Cl1 130.80(19) 5 32_645 ?
O1 Rb1 Cl1 130.8(2) 97_666 156_556 ?
O1 Rb1 Cl1 112.5(6) . 32_645 ?
O1 Rb1 Cl1 67.5(5) 5 156_556 ?
O1 Rb1 Cl1 67.5(5) 9 172_655 ?
O1 Rb1 Cl1 112.5(5) 101_666 156_556 ?
O1 Rb1 Cl1 49.2(2) 5 172_655 ?
O1 Rb1 Cl1 49.2(2) . 156_556 ?
O1 Rb1 Cl1 49.2(2) . 172_655 ?
O1 Rb1 Cl1 49.2(2) 105_666 60_564 ?
O1 Rb1 Cl1 112.5(5) 9 76_456 ?
O1 Rb1 Cl1 130.8(2) 9 60_564 ?
O1 Rb1 Cl1 130.8(2) 5 76_456 ?
O1 Rb1 Cl1 49.2(2) 97_666 60_564 ?
O1 Rb1 Cl1 130.8(2) . 76_456 ?
O1 Rb1 Cl1 112.5(5) 5 60_564 ?
O1 Rb1 Cl1 130.80(19) 101_666 128_565 ?
Cl1 Rb1 Cl1 22.1(9) 156_556 172_655 ?
Cl1 Rb1 Cl1 180.0 156_556 60_564 ?
Cl1 Rb1 Cl1 157.9(9) 128_565 76_456 ?
Cl1 Rb1 Cl1 157.9(9) 60_564 172_655 ?
Cl1 Rb1 Cl1 157.9(9) 156_556 76_456 ?
Cl1 Rb1 Cl1 22.1(9) 128_565 172_655 ?
Cl1 Rb1 Cl1 22.1(9) 32_645 76_456 ?
Cl1 Rb1 Cl1 157.9(9) 32_645 172_655 ?
Cl1 Rb1 Cl1 157.9(9) 156_556 32_645 ?
Cl1 Rb1 Cl1 180.0 128_565 32_645 ?
Cl1 Rb1 Cl1 22.1(9) 60_564 76_456 ?
Cl1 Rb1 Cl1 22.1(9) 156_556 128_565 ?
Cl1 Rb1 Cl1 22.1(9) 60_564 32_645 ?
Cl1 Rb1 Cl1 157.9(9) 60_564 128_565 ?
Cl1 Rb1 Cl1 180.0 172_655 76_456 ?
O2 Eu1 O2 99.98(16) . 165_665 ?
O2 Eu1 O2 180.0 33_545 129_666 ?
O2 Eu1 O2 80.02(16) 110 33_545 ?
O2 Eu1 O2 80.02(16) . 69_456 ?
O2 Eu1 O2 139.2(4) 14_667 53_455 ?
O2 Eu1 O2 180.0 165_665 69_456 ?
O2 Eu1 O2 139.2(4) 69_456 129_666 ?
O2 Eu1 O2 180.00(14) . 97_667 ?
O2 Eu1 O2 145.8(3) 165_665 53_455 ?
O2 Eu1 O2 80.02(16) 165_665 97_667 ?
O2 Eu1 O2 67.76(15) . 33_545 ?
O2 Eu1 O2 99.98(16) 69_456 97_667 ?
O2 Eu1 O2 34.2(3) 42_645 33_545 ?
O2 Eu1 O2 34.2(3) . 110 ?
O2 Eu1 O2 34.2(3) 138_566 129_666 ?
O2 Eu1 O2 112.24(15) 165_665 110 ?
O2 Eu1 O2 99.98(16) 149_666 42_645 ?
O2 Eu1 O2 67.76(15) 69_456 110 ?
O2 Eu1 O2 112.24(15) 97_667 53_455 ?
O2 Eu1 O2 145.8(3) 97_667 110 ?
O2 Eu1 O2 180.0 149_666 53_455 ?
O2 Eu1 O2 145.8(3) . 14_667 ?
O2 Eu1 O2 40.8(4) 69_456 33_545 ?
O2 Eu1 O2 67.76(15) 165_665 14_667 ?
O2 Eu1 O2 145.8(3) 138_566 33_545 ?
O2 Eu1 O2 112.24(15) 69_456 14_667 ?
O2 Eu1 O2 112.24(15) . 129_666 ?
O2 Eu1 O2 34.2(3) 97_667 14_667 ?
O2 Eu1 O2 99.98(16) 110 129_666 ?
O2 Eu1 O2 180.0 110 14_667 ?
O2 Eu1 O2 145.8(3) 42_645 129_666 ?
O2 Eu1 O2 139.2(4) . 138_566 ?
O2 Eu1 O2 180.0 138_566 42_645 ?
O2 Eu1 O2 67.76(14) 165_665 138_566 ?
O2 Eu1 O2 67.76(15) . 53_455 ?
O2 Eu1 O2 112.24(14) 69_456 138_566 ?
O2 Eu1 O2 34.2(3) 69_456 53_455 ?
O2 Eu1 O2 40.8(4) 97_667 138_566 ?
O2 Eu1 O2 40.8(4) 110 53_455 ?
O2 Eu1 O2 112.24(15) 110 138_566 ?
O2 Eu1 O2 99.98(16) 138_566 53_455 ?
O2 Eu1 O2 67.76(15) 14_667 138_566 ?
O2 Eu1 O2 80.02(16) 42_645 53_455 ?
O2 Eu1 O2 34.2(3) 165_665 149_666 ?
O2 Eu1 O2 139.2(4) 165_665 33_545 ?
O2 Eu1 O2 145.8(3) 69_456 149_666 ?
O2 Eu1 O2 112.24(15) 97_667 33_545 ?
O2 Eu1 O2 67.76(15) 97_667 149_666 ?
O2 Eu1 O2 99.98(16) 14_667 33_545 ?
O2 Eu1 O2 139.2(4) 110 149_666 ?
O2 Eu1 O2 112.24(14) 149_666 33_545 ?
O2 Eu1 O2 40.8(4) 14_667 149_666 ?
O2 Eu1 O2 67.76(15) 53_455 33_545 ?
O2 Eu1 O2 80.02(16) 138_566 149_666 ?
O2 Eu1 O2 40.8(4) 165_665 129_666 ?
O2 Eu1 O2 40.8(4) . 42_645 ?
O2 Eu1 O2 67.76(15) 97_667 129_666 ?
O2 Eu1 O2 112.24(14) 165_665 42_645 ?
O2 Eu1 O2 80.02(16) 14_667 129_666 ?
O2 Eu1 O2 67.76(14) 69_456 42_645 ?
O2 Eu1 O2 67.76(15) 149_666 129_666 ?
O2 Eu1 O2 139.2(4) 97_667 42_645 ?
O2 Eu1 O2 112.24(14) 53_455 129_666 ?
O2 Eu1 O2 67.76(15) 110 42_645 ?
O2 Eu1 O2 112.24(15) 14_667 42_645 ?
O2 Eu1 O2 112.24(15) . 149_666 ?
C1 N2 C1 109.5 28_556 51_656 ?
C1 N2 C1 109.5 51_656 . ?
C1 N2 C1 109.471(6) 28_556 . ?
C1 N2 C1 109.471(5) 28_556 74_655 ?
C1 N2 C1 109.471(1) 51_656 74_655 ?
C1 N2 C1 109.471(1) 74_655 . ?
O2 O2 Eu1 72.89(14) 110 . ?
O2 O2 Eu1 72.89(14) 109_665 . ?
O2 O2 Eu1 69.6(2) 42_645 . ?
O2 O2 O2 120.002(2) 109_665 42_645 ?
O2 O2 O2 90.001(2) 109_665 110 ?
O2 O2 O2 120.002(2) 110 42_645 ?
N1 O2 Eu1 98.1(7) . . ?
N1 O2 O2 167.7(6) . 42_645 ?
N1 O2 O2 53.5(3) . 110 ?
N1 O2 O2 53.5(3) . 109_665 ?
O2 N1 Eu1 57.3(6) 110 . ?
O2 N1 Eu1 57.3(6) . . ?
O2 N1 Eu1 57.3(6) 109_665 . ?
O2 N1 Eu1 57.3(6) 2_665 . ?
O2 N1 O2 73.0(6) 110 . ?
O2 N1 O2 114.6(12) 2_665 . ?
O2 N1 O2 114.6(12) 109_665 110 ?
O2 N1 O2 73.0(6) 109_665 2_665 ?
O2 N1 O2 73.0(6) 109_665 . ?
O2 N1 O2 73.0(6) 2_665 110 ?
O1 N1 Eu1 180.0 . . ?
O1 N1 O2 122.7(6) . 2_665 ?
O1 N1 O2 122.7(6) . 110 ?
O1 N1 O2 122.7(6) . . ?
O1 N1 O2 122.7(6) . 109_665 ?
N1 O1 Rb1 180.0 . . ?
Cl1 C1 N2 139.2(17) . . ?
Cl1 C1 N2 139.2(17) 55_665 . ?
Cl1 C1 N2 139.2(17) 34_646 . ?
Cl1 C1 Cl1 69(3) 55_665 . ?
Cl1 C1 Cl1 69(3) 55_665 34_646 ?
Cl1 C1 Cl1 69(3) 34_646 . ?
C1 Cl1 Rb1 126(2) . 73_545 ?
C1 Cl1 Cl1 55.6(13) . 55_665 ?
C1 Cl1 Cl1 55.6(13) . 34_646 ?
Cl1 Cl1 Rb1 79.0(5) 34_646 73_545 ?
Cl1 Cl1 Rb1 79.0(5) 55_665 73_545 ?
Cl1 Cl1 Cl1 60.000(5) 34_646 55_665 ?

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 O2 N1 O2 61.6(4) . . . 109_665 ?
Eu1 O2 N1 O2 0.000(3) . . . 2_665 ?
Eu1 O2 N1 O2 -61.6(4) . . . 110 ?
Eu1 O2 N1 O1 180.000(4) . . . . ?
N2 C1 Cl1 Rb1 180.000(5) . . . 73_545 ?
N2 C1 Cl1 Cl1 142.7(7) . . . 55_665 ?
N2 C1 Cl1 Cl1 -142.7(7) . . . 34_646 ?
O2 O2 N1 Eu1 0.000(12) 42_645 . . . ?
O2 O2 N1 Eu1 -61.6(4) 109_665 . . . ?
O2 O2 N1 Eu1 61.6(4) 110 . . . ?
O2 O2 N1 O2 -123.2(8) 109_665 . . 110 ?
O2 O2 N1 O2 61.6(4) 110 . . 2_665 ?
O2 O2 N1 O2 61.6(4) 42_645 . . 109_665 ?
O2 O2 N1 O2 -61.6(4) 42_645 . . 110 ?
O2 O2 N1 O2 -61.6(4) 109_665 . . 2_665 ?
O2 O2 N1 O2 123.2(8) 110 . . 109_665 ?
O2 O2 N1 O2 0.000(14) 42_645 . . 2_665 ?
O2 O2 N1 O1 -118.4(4) 110 . . . ?
O2 O2 N1 O1 118.4(4) 109_665 . . . ?
O2 O2 N1 O1 180.000(14) 42_645 . . . ?
C1 N2 C1 Cl1 120.000(8) 28_556 . . . ?
C1 N2 C1 Cl1 120.000(6) 74_655 . . 34_646 ?
C1 N2 C1 Cl1 -120.000(7) 74_655 . . . ?
C1 N2 C1 Cl1 -120.000(11) 28_556 . . 55_665 ?
C1 N2 C1 Cl1 0.000(6) 28_556 . . 34_646 ?
C1 N2 C1 Cl1 0.000(12) 74_655 . . 55_665 ?
C1 N2 C1 Cl1 -120.000(6) 51_656 . . 34_646 ?
C1 N2 C1 Cl1 120.000(10) 51_656 . . 55_665 ?
C1 N2 C1 Cl1 0.000(7) 51_656 . . . ?
Cl1 C1 Cl1 Rb1 -37.3(7) 34_646 . . 73_545 ?
Cl1 C1 Cl1 Rb1 37.3(7) 55_665 . . 73_545 ?
Cl1 C1 Cl1 Cl1 74.6(14) 55_665 . . 34_646 ?
Cl1 C1 Cl1 Cl1 -74.6(14) 34_646 . . 55_665 ?

_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT241_1_293k              
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of         C1 Check 
RESPONSE: We have tried to apply several restraints but this did not make any
change in the refinement.
;
# end Validation Reply Form
####################################################################### 
# 
# 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_3_311k
_database_code_depnum_ccdc_archive 'CCDC 2314668'
loop_
_audit_author_name
_audit_author_address
'Huakai Li'
;Jiangxi University of Science and Technology
China
;
_audit_update_record             
;
2023-12-15 deposited with the CCDC.	2024-07-30 downloaded from the CCDC.
;
_audit_creation_date             2023-12-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C8 H22 Eu I2 N8 O18 Rb'
_chemical_formula_sum            'C8 H22 Eu I2 N8 O18 Rb'
_chemical_formula_weight         1009.56
_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'
I I -0.4742 1.8119 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6573(3)
_cell_length_b                   14.1326(4)
_cell_length_c                   17.3712(5)
_cell_angle_alpha                112.633(3)
_cell_angle_beta                 104.666(3)
_cell_angle_gamma                93.116(2)
_cell_volume                     2086.18(12)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    9397
_cell_measurement_temperature    311.15
_cell_measurement_theta_max      31.0300
_cell_measurement_theta_min      2.1730
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.300
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.411
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.965
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17253
_diffrn_reflns_point_group_measured_fraction_full 0.965
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        24.995
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_min         2.212
_diffrn_ambient_temperature      311.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       ?
_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                6006
_reflns_number_total             7086
_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 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         3.990
_refine_diff_density_min         -2.410
_refine_diff_density_rms         0.196
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         7086
_refine_ls_number_restraints     89
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0497
_refine_ls_restrained_S_all      1.032
_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)+(0.0792P)²+19.1264P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1402
_refine_ls_wR_factor_ref         0.1470
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N2-C8 = N2-C6 = N2-C5 = N2-C7 = N3-C9 = N3-C11 = N3-C10 = N3-C12 = N1-C2 = N1-
 C3 = N1-C4
 1.5 with sigma of 0.01
 I1-Rb1 \\sim I2-Rb2 \\sim I3-Rb2
 with sigma of 0.01
 I1-C1 \\sim I2-C5 \\sim I3-C9
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
N1 \\sim C1 \\sim C2 \\sim C3 \\sim C4 \\sim N2 \\sim C5 \\sim C6 \\sim C7
\\sim C8 \\sim N3 \\sim C9 \\sim C10 \\sim C11 \\sim C12: within 2A with sigma
of 0.01 and sigma for terminal atoms of 0.02 within 2A
4.a Secondary CH2 refined with riding coordinates:
 C1(H1a,H1b), C5(H5a,H5b), C9(H9a,H9b)
4.b Idealised Me refined as rotating group:
 C2(H2a,H2b,H2c), C3(H3a,H3b,H3c), C4(H4a,H4b,H4c), C6(H6a,H6b,H6c), C7(H7a,
 H7b,H7c), C8(H8a,H8b,H8c), C10(H10a,H10b,H10c), C11(H11a,H11b,H11c), C12(H12a,
 H12b,H12c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.66634(4) 0.16549(3) 0.33692(2) 0.02443(14) Uani 1 1 d . . . . .
Eu2 Eu 0.000000 0.500000 0.000000 0.02672(16) Uani 1 2 d S . P . .
I1 I -0.15002(10) -0.28654(6) -0.17075(5) 0.0664(2) Uani 1 1 d D . . . .
I2 I 0.67035(10) 0.73214(8) 0.13433(6) 0.0734(3) Uani 1 1 d D . . . .
I3 I 0.28254(8) 0.73894(5) 0.30348(5) 0.0578(2) Uani 1 1 d D . . . .
Rb1 Rb 0.000000 0.000000 0.000000 0.0349(3) Uani 1 2 d DS . P . .
Rb2 Rb 0.66357(8) 0.65865(6) 0.32476(5) 0.0315(2) Uani 1 1 d D . . . .
O1 O 0.2762(8) 0.0346(7) 0.1293(5) 0.068(2) Uani 1 1 d . . . . .
O2 O 0.3881(7) 0.1219(6) 0.2684(4) 0.0497(17) Uani 1 1 d . . . . .
O3 O 0.5108(8) 0.0684(6) 0.1768(4) 0.0491(16) Uani 1 1 d . . . . .
O4 O 0.4209(9) 0.2736(6) 0.5152(5) 0.059(2) Uani 1 1 d . . . . .
O5 O 0.5312(7) 0.1533(5) 0.4456(4) 0.0455(16) Uani 1 1 d . . . . .
O6 O 0.5359(7) 0.2968(5) 0.4309(4) 0.0460(16) Uani 1 1 d . . . . .
O7 O 0.5627(7) -0.0252(5) 0.3032(5) 0.0459(16) Uani 1 1 d . . . . .
O8 O 0.7646(7) 0.0415(5) 0.4050(4) 0.0446(15) Uani 1 1 d . . . . .
O9 O 0.6671(10) -0.1172(6) 0.3684(5) 0.064(2) Uani 1 1 d . . . . .
O10 O 0.8812(11) 0.0501(7) 0.1453(6) 0.080(3) Uani 1 1 d . . . . .
O11 O 0.7998(8) 0.1775(5) 0.2298(4) 0.0473(16) Uani 1 1 d . . . . .
O12 O 0.7941(8) 0.0329(5) 0.2425(5) 0.0497(17) Uani 1 1 d . . . . .
O13 O 0.6620(11) 0.4547(6) 0.3207(7) 0.077(3) Uani 1 1 d . . . . .
O14 O 0.5671(8) 0.2933(6) 0.2716(5) 0.0525(17) Uani 1 1 d . . . . .
O15 O 0.7689(8) 0.3530(5) 0.3730(5) 0.0503(17) Uani 1 1 d . . . . .
O16 O 1.0585(8) 0.2833(8) 0.5440(5) 0.073(3) Uani 1 1 d . . . . .
O17 O 0.8237(7) 0.2613(6) 0.4983(4) 0.0488(16) Uani 1 1 d . . . . .
O18 O 0.9433(7) 0.2107(5) 0.4056(4) 0.0454(16) Uani 1 1 d . . . . .
O19 O 0.4223(8) 0.5409(7) 0.1688(5) 0.071(2) Uani 1 1 d . . . . .
O20 O 0.1889(7) 0.5348(5) 0.1453(4) 0.0422(15) Uani 1 1 d . . . . .
O21 O 0.2810(7) 0.5162(6) 0.0410(5) 0.0500(17) Uani 1 1 d . . . . .
O22 O 0.0362(11) 0.8201(5) 0.0485(5) 0.068(2) Uani 1 1 d . . . . .
O23 O -0.0925(7) 0.6645(5) -0.0098(4) 0.0415(14) Uani 1 1 d . . . . .
O24 O 0.1288(8) 0.6929(5) 0.0693(4) 0.0492(17) Uani 1 1 d . . . . .
O25 O 0.1622(10) 0.4405(8) -0.2152(5) 0.078(3) Uani 1 1 d . . . . .
O26 O 0.1057(8) 0.5483(5) -0.1047(4) 0.0481(16) Uani 1 1 d . . . . .
O27 O 0.0731(7) 0.3848(5) -0.1344(4) 0.0438(15) Uani 1 1 d . . . . .
N1 N -0.1901(8) -0.4255(6) -0.3643(5) 0.0487(18) Uani 1 1 d D U . . .
N2 N 0.4613(9) 0.7750(7) -0.0097(5) 0.056(2) Uani 1 1 d D U . . .
N3 N 0.1505(7) 0.9370(5) 0.3523(5) 0.0414(17) Uani 1 1 d D U . . .
N4 N 0.3864(8) 0.0731(6) 0.1900(5) 0.0369(17) Uani 1 1 d . . . . .
N5 N 0.4943(8) 0.2416(6) 0.4651(5) 0.0362(17) Uani 1 1 d . . . . .
N6 N 0.6632(8) -0.0360(6) 0.3588(5) 0.0362(17) Uani 1 1 d . . . . .
N7 N 0.8270(9) 0.0870(6) 0.2049(5) 0.0420(18) Uani 1 1 d . . . . .
N8 N 0.6659(9) 0.3698(6) 0.3219(5) 0.0421(18) Uani 1 1 d . . . . .
N9 N 0.9450(8) 0.2530(6) 0.4843(5) 0.0354(16) Uani 1 1 d . . . . .
N10 N 0.3005(9) 0.5315(6) 0.1195(5) 0.0428(19) Uani 1 1 d . . . . .
N11 N 0.0250(9) 0.7284(6) 0.0371(5) 0.0402(18) Uani 1 1 d . . . . .
N12 N 0.1157(8) 0.4571(7) -0.1528(5) 0.043(2) Uani 1 1 d . . . . .
C1 C -0.1721(14) -0.3135(8) -0.3017(5) 0.056(2) Uani 1 1 d D U . . .
H1A H -0.255615 -0.285088 -0.322453 0.067 Uiso 1 1 calc R U . . .
H1B H -0.087066 -0.275291 -0.303202 0.067 Uiso 1 1 calc R U . . .
C2 C -0.1991(14) -0.4406(10) -0.4584(7) 0.075(4) Uani 1 1 d D U . . .
H2A H -0.283858 -0.416582 -0.482092 0.113 Uiso 1 1 calc R U . . .
H2B H -0.204880 -0.513002 -0.493929 0.113 Uiso 1 1 calc R U . . .
H2C H -0.113963 -0.401489 -0.457780 0.113 Uiso 1 1 calc R U . . .
C3 C -0.0653(14) -0.4747(12) -0.3343(9) 0.086(4) Uani 1 1 d D U . . .
H3A H 0.019649 -0.422254 -0.300608 0.130 Uiso 1 1 calc R U . . .
H3B H -0.046404 -0.526066 -0.384205 0.130 Uiso 1 1 calc R U . . .
H3C H -0.089293 -0.507288 -0.298906 0.130 Uiso 1 1 calc R U . . .
C4 C -0.3264(14) -0.4842(11) -0.3659(10) 0.089(4) Uani 1 1 d D U . . .
H4A H -0.313248 -0.488198 -0.310625 0.134 Uiso 1 1 calc R U . . .
H4B H -0.346617 -0.553149 -0.411426 0.134 Uiso 1 1 calc R U . . .
H4C H -0.406106 -0.448651 -0.376613 0.134 Uiso 1 1 calc R U . . .
C5 C 0.4809(11) 0.7798(11) 0.0805(6) 0.066(3) Uani 1 1 d D U . . .
H5A H 0.397557 0.736757 0.078910 0.080 Uiso 1 1 calc R U . . .
H5B H 0.481074 0.850889 0.119341 0.080 Uiso 1 1 calc R U . . .
C6 C 0.5869(15) 0.8440(13) -0.0084(11) 0.095(5) Uani 1 1 d D U . . .
H6A H 0.569011 0.914284 0.010263 0.142 Uiso 1 1 calc R U . . .
H6B H 0.597424 0.820624 -0.066041 0.142 Uiso 1 1 calc R U . . .
H6C H 0.674308 0.840984 0.031252 0.142 Uiso 1 1 calc R U . . .
C7 C 0.462(2) 0.6661(10) -0.0706(10) 0.103(5) Uani 1 1 d D U . . .
H7A H 0.557905 0.659138 -0.075074 0.155 Uiso 1 1 calc R U . . .
H7B H 0.396096 0.650867 -0.127199 0.155 Uiso 1 1 calc R U . . .
H7C H 0.431080 0.618492 -0.048485 0.155 Uiso 1 1 calc R U . . .
C8 C 0.3195(11) 0.8091(10) -0.0504(8) 0.073(4) Uani 1 1 d D U . . .
H8A H 0.250519 0.807782 -0.019440 0.109 Uiso 1 1 calc R U . . .
H8B H 0.278807 0.762215 -0.110749 0.109 Uiso 1 1 calc R U . . .
H8C H 0.342389 0.878374 -0.045918 0.109 Uiso 1 1 calc R U . . .
C9 C 0.2845(10) 0.8963(6) 0.3820(6) 0.054(3) Uani 1 1 d D U . . .
H9A H 0.296326 0.904142 0.441381 0.065 Uiso 1 1 calc R U . . .
H9B H 0.368009 0.938392 0.382738 0.065 Uiso 1 1 calc R U . . .
C10 C 0.1657(15) 1.0502(8) 0.4117(8) 0.078(4) Uani 1 1 d D U . . .
H10A H 0.166259 1.056473 0.468828 0.117 Uiso 1 1 calc R U . . .
H10B H 0.085557 1.078558 0.388616 0.117 Uiso 1 1 calc R U . . .
H10C H 0.255035 1.087579 0.415576 0.117 Uiso 1 1 calc R U . . .
C11 C 0.1291(18) 0.9265(11) 0.2608(7) 0.079(4) Uani 1 1 d D U . . .
H11A H 0.219641 0.950261 0.255305 0.119 Uiso 1 1 calc R U . . .
H11B H 0.058624 0.967663 0.247545 0.119 Uiso 1 1 calc R U . . .
H11C H 0.095294 0.854861 0.220927 0.119 Uiso 1 1 calc R U . . .
C12 C 0.0207(12) 0.8776(10) 0.3555(11) 0.082(4) Uani 1 1 d D U . . .
H12A H 0.010180 0.805328 0.317835 0.122 Uiso 1 1 calc R U . . .
H12B H -0.064646 0.904146 0.336417 0.122 Uiso 1 1 calc R U . . .
H12C H 0.033319 0.885096 0.414294 0.122 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O2 2.580(7) . ?
Eu1 O3 2.568(7) . ?
Eu1 O5 2.601(7) . ?
Eu1 O6 2.581(6) . ?
Eu1 O7 2.608(7) . ?
Eu1 O8 2.565(6) . ?
Eu1 O11 2.566(7) . ?
Eu1 O12 2.576(7) . ?
Eu1 O14 2.585(7) . ?
Eu1 O15 2.552(7) . ?
Eu1 O17 2.588(6) . ?
Eu1 O18 2.568(7) . ?
Eu2 O20 2.561(6) . ?
Eu2 O20 2.561(6) 2_565 ?
Eu2 O21 2.598(7) 2_565 ?
Eu2 O21 2.598(7) . ?
Eu2 O23 2.585(6) 2_565 ?
Eu2 O23 2.585(6) . ?
Eu2 O24 2.603(7) 2_565 ?
Eu2 O24 2.603(7) . ?
Eu2 O26 2.576(6) . ?
Eu2 O26 2.576(6) 2_565 ?
Eu2 O27 2.575(6) . ?
Eu2 O27 2.575(6) 2_565 ?
I1 Rb1 3.9035(8) . ?
I1 C1 2.108(8) . ?
I2 Rb2 3.8436(11) . ?
I2 C5 2.104(8) . ?
I3 Rb2 3.8798(10) . ?
I3 C9 2.110(7) . ?
Rb1 O1 2.894(7) . ?
Rb1 O1 2.894(7) 2 ?
Rb1 O10 2.893(7) 1_455 ?
Rb1 O10 2.893(7) 2_655 ?
Rb1 O22 2.982(7) 1_545 ?
Rb1 O22 2.982(7) 2_565 ?
Rb2 O4 2.915(7) 2_666 ?
Rb2 O9 2.956(7) 1_565 ?
Rb2 O13 2.855(7) . ?
Rb2 O16 2.881(7) 2_766 ?
Rb2 O19 2.906(7) . ?
Rb2 O25 2.871(7) 2_665 ?
O1 N4 1.212(10) . ?
O2 N4 1.263(10) . ?
O3 N4 1.280(10) . ?
O4 N5 1.228(10) . ?
O5 N5 1.258(10) . ?
O6 N5 1.250(10) . ?
O7 N6 1.246(10) . ?
O8 N6 1.270(10) . ?
O9 N6 1.223(10) . ?
O10 N7 1.226(11) . ?
O11 N7 1.249(10) . ?
O12 N7 1.255(10) . ?
O13 N8 1.210(11) . ?
O14 N8 1.258(11) . ?
O15 N8 1.256(11) . ?
O16 N9 1.221(10) . ?
O17 N9 1.258(10) . ?
O18 N9 1.260(10) . ?
O19 N10 1.233(10) . ?
O20 N10 1.265(10) . ?
O21 N10 1.256(11) . ?
O22 N11 1.228(10) . ?
O23 N11 1.274(10) . ?
O24 N11 1.248(11) . ?
O25 N12 1.223(10) . ?
O26 N12 1.264(11) . ?
O27 N12 1.260(11) . ?
N1 C1 1.506(13) . ?
N1 C2 1.545(9) . ?
N1 C3 1.504(8) . ?
N1 C4 1.505(9) . ?
N2 C5 1.504(8) . ?
N2 C6 1.505(9) . ?
N2 C7 1.495(9) . ?
N2 C8 1.565(9) . ?
N3 C9 1.498(8) . ?
N3 C10 1.508(8) . ?
N3 C11 1.495(8) . ?
N3 C12 1.496(9) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?

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
O2 Eu1 O5 67.6(2) . . ?
O2 Eu1 O6 68.0(2) . . ?
O2 Eu1 O7 67.7(2) . . ?
O2 Eu1 O14 67.6(2) . . ?
O2 Eu1 O17 130.7(2) . . ?
O3 Eu1 O2 49.4(2) . . ?
O3 Eu1 O5 112.5(2) . . ?
O3 Eu1 O6 112.7(2) . . ?
O3 Eu1 O7 68.9(2) . . ?
O3 Eu1 O12 66.9(2) . . ?
O3 Eu1 O14 68.6(2) . . ?
O3 Eu1 O17 179.4(2) . . ?
O5 Eu1 O7 66.9(2) . . ?
O6 Eu1 O5 48.7(2) . . ?
O6 Eu1 O7 111.3(2) . . ?
O6 Eu1 O14 66.8(2) . . ?
O6 Eu1 O17 67.8(2) . . ?
O8 Eu1 O2 112.5(2) . . ?
O8 Eu1 O3 112.5(2) . . ?
O8 Eu1 O5 68.3(2) . . ?
O8 Eu1 O6 112.1(2) . . ?
O8 Eu1 O7 48.9(2) . . ?
O8 Eu1 O11 111.7(2) . . ?
O8 Eu1 O12 67.8(2) . . ?
O8 Eu1 O14 178.8(2) . . ?
O8 Eu1 O17 66.9(2) . . ?
O8 Eu1 O18 67.9(2) . . ?
O11 Eu1 O2 112.4(2) . . ?
O11 Eu1 O3 67.6(2) . . ?
O11 Eu1 O5 180.0(2) . . ?
O11 Eu1 O6 131.3(2) . . ?
O11 Eu1 O7 113.1(2) . . ?
O11 Eu1 O12 49.1(2) . . ?
O11 Eu1 O14 69.2(2) . . ?
O11 Eu1 O17 112.6(2) . . ?
O11 Eu1 O18 67.5(2) . . ?
O12 Eu1 O2 111.5(2) . . ?
O12 Eu1 O5 130.9(2) . . ?
O12 Eu1 O6 179.4(2) . . ?
O12 Eu1 O7 68.2(2) . . ?
O12 Eu1 O14 113.4(2) . . ?
O12 Eu1 O17 112.6(2) . . ?
O14 Eu1 O5 110.8(2) . . ?
O14 Eu1 O7 131.7(2) . . ?
O14 Eu1 O17 112.0(2) . . ?
O15 Eu1 O2 112.6(2) . . ?
O15 Eu1 O3 112.2(2) . . ?
O15 Eu1 O5 112.3(2) . . ?
O15 Eu1 O6 68.2(2) . . ?
O15 Eu1 O7 178.9(2) . . ?
O15 Eu1 O8 130.3(2) . . ?
O15 Eu1 O11 67.7(2) . . ?
O15 Eu1 O12 112.4(2) . . ?
O15 Eu1 O14 49.1(2) . . ?
O15 Eu1 O17 68.4(2) . . ?
O15 Eu1 O18 66.9(2) . . ?
O17 Eu1 O5 67.4(2) . . ?
O17 Eu1 O7 110.5(2) . . ?
O18 Eu1 O2 179.5(2) . . ?
O18 Eu1 O3 130.8(2) . . ?
O18 Eu1 O5 112.4(2) . . ?
O18 Eu1 O6 111.6(2) . . ?
O18 Eu1 O7 112.8(2) . . ?
O18 Eu1 O12 68.9(2) . . ?
O18 Eu1 O14 112.0(2) . . ?
O18 Eu1 O17 49.1(2) . . ?
O20 Eu2 O20 180.0 2_565 . ?
O20 Eu2 O21 49.2(2) . . ?
O20 Eu2 O21 130.8(2) . 2_565 ?
O20 Eu2 O21 130.8(2) 2_565 . ?
O20 Eu2 O21 49.2(2) 2_565 2_565 ?
O20 Eu2 O23 65.92(19) . 2_565 ?
O20 Eu2 O23 114.09(19) . . ?
O20 Eu2 O23 114.08(19) 2_565 2_565 ?
O20 Eu2 O23 65.92(19) 2_565 . ?
O20 Eu2 O24 71.5(2) 2_565 2_565 ?
O20 Eu2 O24 108.5(2) . 2_565 ?
O20 Eu2 O24 108.5(2) 2_565 . ?
O20 Eu2 O24 71.5(2) . . ?
O20 Eu2 O26 66.6(2) . 2_565 ?
O20 Eu2 O26 113.4(2) . . ?
O20 Eu2 O26 66.6(2) 2_565 . ?
O20 Eu2 O26 113.4(2) 2_565 2_565 ?
O20 Eu2 O27 66.7(2) 2_565 . ?
O20 Eu2 O27 66.7(2) . 2_565 ?
O20 Eu2 O27 113.3(2) 2_565 2_565 ?
O20 Eu2 O27 113.3(2) . . ?
O21 Eu2 O21 180.0 . 2_565 ?
O21 Eu2 O24 112.0(2) . 2_565 ?
O21 Eu2 O24 68.0(2) . . ?
O21 Eu2 O24 68.0(2) 2_565 2_565 ?
O21 Eu2 O24 112.0(2) 2_565 . ?
O23 Eu2 O21 113.6(2) . . ?
O23 Eu2 O21 66.4(2) 2_565 . ?
O23 Eu2 O21 66.4(2) . 2_565 ?
O23 Eu2 O21 113.6(2) 2_565 2_565 ?
O23 Eu2 O23 180.00(10) 2_565 . ?
O23 Eu2 O24 131.1(2) 2_565 . ?
O23 Eu2 O24 48.9(2) 2_565 2_565 ?
O23 Eu2 O24 131.1(2) . 2_565 ?
O23 Eu2 O24 48.9(2) . . ?
O24 Eu2 O24 180.00(17) . 2_565 ?
O26 Eu2 O21 112.4(2) . 2_565 ?
O26 Eu2 O21 67.6(2) 2_565 2_565 ?
O26 Eu2 O21 67.6(2) . . ?
O26 Eu2 O21 112.4(2) 2_565 . ?
O26 Eu2 O23 109.2(2) 2_565 . ?
O26 Eu2 O23 109.2(2) . 2_565 ?
O26 Eu2 O23 70.8(2) . . ?
O26 Eu2 O23 70.8(2) 2_565 2_565 ?
O26 Eu2 O24 67.2(2) 2_565 2_565 ?
O26 Eu2 O24 112.8(2) 2_565 . ?
O26 Eu2 O24 67.2(2) . . ?
O26 Eu2 O24 112.8(2) . 2_565 ?
O26 Eu2 O26 180.0(4) . 2_565 ?
O27 Eu2 O21 109.6(2) . 2_565 ?
O27 Eu2 O21 70.4(2) . . ?
O27 Eu2 O21 109.6(2) 2_565 . ?
O27 Eu2 O21 70.4(2) 2_565 2_565 ?
O27 Eu2 O23 66.1(2) 2_565 . ?
O27 Eu2 O23 113.9(2) 2_565 2_565 ?
O27 Eu2 O23 113.9(2) . . ?
O27 Eu2 O23 66.1(2) . 2_565 ?
O27 Eu2 O24 113.2(2) 2_565 2_565 ?
O27 Eu2 O24 66.8(2) . 2_565 ?
O27 Eu2 O24 113.2(2) . . ?
O27 Eu2 O24 66.8(2) 2_565 . ?
O27 Eu2 O26 130.6(2) . 2_565 ?
O27 Eu2 O26 49.4(2) 2_565 2_565 ?
O27 Eu2 O26 49.4(2) . . ?
O27 Eu2 O26 130.6(2) 2_565 . ?
O27 Eu2 O27 180.0 . 2_565 ?
C1 I1 Rb1 115.5(3) . . ?
C5 I2 Rb2 115.5(3) . . ?
C9 I3 Rb2 114.4(2) . . ?
I1 Rb1 I1 180.0 2 . ?
O1 Rb1 I1 116.23(17) 2 2 ?
O1 Rb1 I1 63.77(17) 2 . ?
O1 Rb1 I1 63.77(17) . 2 ?
O1 Rb1 I1 116.23(17) . . ?
O1 Rb1 O1 180.0 2 . ?
O1 Rb1 O22 68.1(2) . 1_545 ?
O1 Rb1 O22 111.9(2) . 2_565 ?
O1 Rb1 O22 111.9(2) 2 1_545 ?
O1 Rb1 O22 68.1(2) 2 2_565 ?
O10 Rb1 I1 111.2(2) 2_655 2 ?
O10 Rb1 I1 111.2(2) 1_455 . ?
O10 Rb1 I1 68.8(2) 1_455 2 ?
O10 Rb1 I1 68.8(2) 2_655 . ?
O10 Rb1 O1 84.9(3) 1_455 . ?
O10 Rb1 O1 95.1(3) 2_655 . ?
O10 Rb1 O1 84.9(3) 2_655 2 ?
O10 Rb1 O1 95.1(3) 1_455 2 ?
O10 Rb1 O10 180.0(5) 2_655 1_455 ?
O10 Rb1 O22 76.5(3) 1_455 1_545 ?
O10 Rb1 O22 103.5(3) 1_455 2_565 ?
O10 Rb1 O22 103.5(3) 2_655 1_545 ?
O10 Rb1 O22 76.5(3) 2_655 2_565 ?
O22 Rb1 I1 121.88(15) 1_545 2 ?
O22 Rb1 I1 58.12(15) 2_565 2 ?
O22 Rb1 I1 121.88(15) 2_565 . ?
O22 Rb1 I1 58.12(15) 1_545 . ?
O22 Rb1 O22 180.0(3) 2_565 1_545 ?
I2 Rb2 I3 86.61(2) . . ?
O4 Rb2 I2 142.06(16) 2_666 . ?
O4 Rb2 I3 65.22(16) 2_666 . ?
O4 Rb2 O9 78.5(2) 2_666 1_565 ?
O9 Rb2 I2 66.59(16) 1_565 . ?
O9 Rb2 I3 66.07(18) 1_565 . ?
O13 Rb2 I2 125.7(2) . . ?
O13 Rb2 I3 112.3(2) . . ?
O13 Rb2 O4 89.7(3) . 2_666 ?
O13 Rb2 O9 167.7(2) . 1_565 ?
O13 Rb2 O16 86.8(3) . 2_766 ?
O13 Rb2 O19 79.2(3) . . ?
O13 Rb2 O25 73.8(3) . 2_665 ?
O16 Rb2 I2 112.97(19) 2_766 . ?
O16 Rb2 I3 137.9(2) 2_766 . ?
O16 Rb2 O4 78.4(3) 2_766 2_666 ?
O16 Rb2 O9 87.3(3) 2_766 1_565 ?
O16 Rb2 O19 161.7(3) 2_766 . ?
O19 Rb2 I2 67.5(2) . . ?
O19 Rb2 I3 59.63(16) . . ?
O19 Rb2 O4 113.0(2) . 2_666 ?
O19 Rb2 O9 108.6(2) . 1_565 ?
O25 Rb2 I2 61.44(17) 2_665 . ?
O25 Rb2 I3 139.33(18) 2_665 . ?
O25 Rb2 O4 154.2(2) 2_665 2_666 ?
O25 Rb2 O9 115.8(3) 2_665 1_565 ?
O25 Rb2 O16 80.9(3) 2_665 2_766 ?
O25 Rb2 O19 83.9(3) 2_665 . ?
N4 O1 Rb1 164.5(7) . . ?
N4 O2 Eu1 97.4(5) . . ?
N4 O3 Eu1 97.4(5) . . ?
N5 O4 Rb2 159.9(6) . 2_666 ?
N5 O5 Eu1 96.6(5) . . ?
N5 O6 Eu1 97.8(5) . . ?
N6 O7 Eu1 96.5(5) . . ?
N6 O8 Eu1 97.9(5) . . ?
N6 O9 Rb2 159.6(6) . 1_545 ?
N7 O10 Rb1 168.7(7) . 1_655 ?
N7 O11 Eu1 97.0(5) . . ?
N7 O12 Eu1 96.4(5) . . ?
N8 O13 Rb2 177.5(8) . . ?
N8 O14 Eu1 96.4(5) . . ?
N8 O15 Eu1 98.1(5) . . ?
N9 O16 Rb2 175.1(8) . 2_766 ?
N9 O17 Eu1 96.7(5) . . ?
N9 O18 Eu1 97.6(5) . . ?
N10 O19 Rb2 151.9(7) . . ?
N10 O20 Eu2 97.7(5) . . ?
N10 O21 Eu2 96.1(5) . . ?
N11 O22 Rb1 156.9(6) . 1_565 ?
N11 O23 Eu2 97.2(5) . . ?
N11 O24 Eu2 97.0(5) . . ?
N12 O25 Rb2 152.9(7) . 2_665 ?
N12 O26 Eu2 96.8(5) . . ?
N12 O27 Eu2 96.9(5) . . ?
C1 N1 C2 113.8(8) . . ?
C3 N1 C1 110.8(9) . . ?
C3 N1 C2 107.0(9) . . ?
C3 N1 C4 107.5(11) . . ?
C4 N1 C1 108.6(9) . . ?
C4 N1 C2 108.9(9) . . ?
C5 N2 C6 109.5(9) . . ?
C5 N2 C8 115.9(8) . . ?
C6 N2 C8 106.7(9) . . ?
C7 N2 C5 109.3(10) . . ?
C7 N2 C6 107.7(12) . . ?
C7 N2 C8 107.5(9) . . ?
C9 N3 C10 109.5(7) . . ?
C11 N3 C9 110.2(8) . . ?
C11 N3 C10 109.1(9) . . ?
C11 N3 C12 109.2(10) . . ?
C12 N3 C9 110.0(9) . . ?
C12 N3 C10 108.8(9) . . ?
O1 N4 Eu1 178.0(7) . . ?
O1 N4 O2 123.9(9) . . ?
O1 N4 O3 120.4(8) . . ?
O2 N4 Eu1 58.1(4) . . ?
O2 N4 O3 115.7(7) . . ?
O3 N4 Eu1 57.7(4) . . ?
O4 N5 Eu1 177.7(6) . . ?
O4 N5 O5 122.6(8) . . ?
O4 N5 O6 120.6(8) . . ?
O5 N5 Eu1 58.9(4) . . ?
O6 N5 Eu1 58.0(4) . . ?
O6 N5 O5 116.9(7) . . ?
O7 N6 Eu1 59.3(4) . . ?
O7 N6 O8 116.7(7) . . ?
O8 N6 Eu1 57.4(4) . . ?
O9 N6 Eu1 177.8(7) . . ?
O9 N6 O7 122.6(8) . . ?
O9 N6 O8 120.7(8) . . ?
O10 N7 Eu1 174.3(8) . . ?
O10 N7 O11 122.7(8) . . ?
O10 N7 O12 120.2(9) . . ?
O11 N7 Eu1 58.5(4) . . ?
O11 N7 O12 117.2(7) . . ?
O12 N7 Eu1 58.9(4) . . ?
O13 N8 Eu1 175.4(8) . . ?
O13 N8 O14 121.8(9) . . ?
O13 N8 O15 122.0(9) . . ?
O14 N8 Eu1 59.0(4) . . ?
O15 N8 Eu1 57.4(4) . . ?
O15 N8 O14 116.2(7) . . ?
O16 N9 Eu1 176.5(7) . . ?
O16 N9 O17 121.8(8) . . ?
O16 N9 O18 121.7(9) . . ?
O17 N9 Eu1 58.7(4) . . ?
O17 N9 O18 116.5(7) . . ?
O18 N9 Eu1 57.8(4) . . ?
O19 N10 Eu2 177.6(7) . . ?
O19 N10 O20 121.3(9) . . ?
O19 N10 O21 121.7(9) . . ?
O20 N10 Eu2 57.6(4) . . ?
O21 N10 Eu2 59.3(4) . . ?
O21 N10 O20 116.9(7) . . ?
O22 N11 Eu2 177.0(6) . . ?
O22 N11 O23 121.4(9) . . ?
O22 N11 O24 121.7(9) . . ?
O23 N11 Eu2 58.1(4) . . ?
O24 N11 Eu2 58.8(4) . . ?
O24 N11 O23 116.8(7) . . ?
O25 N12 Eu2 179.2(7) . . ?
O25 N12 O26 120.9(9) . . ?
O25 N12 O27 122.2(9) . . ?
O26 N12 Eu2 58.5(4) . . ?
O27 N12 Eu2 58.4(4) . . ?
O27 N12 O26 116.9(7) . . ?
I1 C1 H1A 108.3 . . ?
I1 C1 H1B 108.3 . . ?
N1 C1 I1 115.9(6) . . ?
N1 C1 H1A 108.3 . . ?
N1 C1 H1B 108.3 . . ?
H1A C1 H1B 107.4 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
I2 C5 H5A 108.3 . . ?
I2 C5 H5B 108.3 . . ?
N2 C5 I2 115.8(6) . . ?
N2 C5 H5A 108.3 . . ?
N2 C5 H5B 108.3 . . ?
H5A C5 H5B 107.4 . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 H7A 109.5 . . ?
N2 C7 H7B 109.5 . . ?
N2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
I3 C9 H9A 108.7 . . ?
I3 C9 H9B 108.7 . . ?
N3 C9 I3 114.2(5) . . ?
N3 C9 H9A 108.7 . . ?
N3 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 H11A 109.5 . . ?
N3 C11 H11B 109.5 . . ?
N3 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N3 C12 H12A 109.5 . . ?
N3 C12 H12B 109.5 . . ?
N3 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O2 N4 O1 179.7(8) . . . . ?
Eu1 O2 N4 O3 -2.2(8) . . . . ?
Eu1 O3 N4 O1 -179.7(7) . . . . ?
Eu1 O3 N4 O2 2.2(8) . . . . ?
Eu1 O5 N5 O4 178.0(7) . . . . ?
Eu1 O5 N5 O6 -2.0(8) . . . . ?
Eu1 O6 N5 O4 -177.9(7) . . . . ?
Eu1 O6 N5 O5 2.0(8) . . . . ?
Eu1 O7 N6 O8 0.3(8) . . . . ?
Eu1 O7 N6 O9 -178.6(8) . . . . ?
Eu1 O8 N6 O7 -0.3(8) . . . . ?
Eu1 O8 N6 O9 178.6(7) . . . . ?
Eu1 O11 N7 O10 173.3(9) . . . . ?
Eu1 O11 N7 O12 -5.4(9) . . . . ?
Eu1 O12 N7 O10 -173.4(9) . . . . ?
Eu1 O12 N7 O11 5.4(9) . . . . ?
Eu1 O14 N8 O13 -174.7(9) . . . . ?
Eu1 O14 N8 O15 5.5(8) . . . . ?
Eu1 O15 N8 O13 174.6(9) . . . . ?
Eu1 O15 N8 O14 -5.6(9) . . . . ?
Eu1 O17 N9 O16 -176.0(8) . . . . ?
Eu1 O17 N9 O18 3.2(8) . . . . ?
Eu1 O18 N9 O16 175.9(8) . . . . ?
Eu1 O18 N9 O17 -3.2(8) . . . . ?
Eu2 O20 N10 O19 -177.4(8) . . . . ?
Eu2 O20 N10 O21 1.3(8) . . . . ?
Eu2 O21 N10 O19 177.4(8) . . . . ?
Eu2 O21 N10 O20 -1.3(8) . . . . ?
Eu2 O23 N11 O22 176.6(7) . . . . ?
Eu2 O23 N11 O24 -1.9(8) . . . . ?
Eu2 O24 N11 O22 -176.6(7) . . . . ?
Eu2 O24 N11 O23 1.9(8) . . . . ?
Eu2 O26 N12 O25 179.5(8) . . . . ?
Eu2 O26 N12 O27 0.9(8) . . . . ?
Eu2 O27 N12 O25 -179.5(8) . . . . ?
Eu2 O27 N12 O26 -0.9(8) . . . . ?
Rb1 O1 N4 O2 60(3) . . . . ?
Rb1 O1 N4 O3 -118(3) . . . . ?
Rb1 O10 N7 O11 -8(5) 1_655 . . . ?
Rb1 O10 N7 O12 171(4) 1_655 . . . ?
Rb1 O22 N11 O23 -42(2) 1_565 . . . ?
Rb1 O22 N11 O24 136.0(16) 1_565 . . . ?
Rb2 O4 N5 O5 63(2) 2_666 . . . ?
Rb2 O4 N5 O6 -117.5(18) 2_666 . . . ?
Rb2 O9 N6 O7 53(2) 1_545 . . . ?
Rb2 O9 N6 O8 -125.6(18) 1_545 . . . ?
Rb2 O19 N10 O20 -62(2) . . . . ?
Rb2 O19 N10 O21 119.5(14) . . . . ?
Rb2 O25 N12 O26 137.0(15) 2_665 . . . ?
Rb2 O25 N12 O27 -44(2) 2_665 . . . ?
C2 N1 C1 I1 -177.4(7) . . . . ?
C3 N1 C1 I1 -56.8(12) . . . . ?
C4 N1 C1 I1 61.1(11) . . . . ?
C6 N2 C5 I2 -59.9(13) . . . . ?
C7 N2 C5 I2 57.8(13) . . . . ?
C8 N2 C5 I2 179.3(8) . . . . ?
C10 N3 C9 I3 -178.7(8) . . . . ?
C11 N3 C9 I3 -58.7(11) . . . . ?
C12 N3 C9 I3 61.8(11) . . . . ?

# end Validation Reply Form
_olex2_submission_special_instructions 'No special instructions were received'
# start Validation Reply Form
_vrf_PLAT971_3_311k              
;
PROBLEM: Check Calcd Resid. Dens.  1.34Ang From I2              3.95 eA-3  
RESPONSE: The relatively large residual density is close to
heavy halogen atom, which might be caused by the electronic
polarization of the corresponding halogen atom, or unsuitable
absorption correction.
;
_vrf_PLAT973_3_311k              
;
PROBLEM: Check Calcd Positive Resid. Density on       Eu1       1.89 eA-3  
RESPONSE: We believe that there are no large free atoms near the Eu ion, 
and this alarm may be caused by the difficulty of absorption correction. 
Despite many attempts, we have not been able to obtain higher-quality 
crystals of the compound.
;
