#------------------------------------------------------------------------------
#$Date: 2019-12-24 02:08:39 +0200 (Tue, 24 Dec 2019) $
#$Revision: 245530 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/38/4133835.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4133835
loop_
_publ_author_name
'Shi, Chao'
'Ye, Le'
'Gong, Zhi-Xin'
'Ma, Jia-Jun'
'Wang, Qin-Wen'
'Jiang, Jia-Ying'
'Hua, Miao-Miao'
'Wang, Chang-Feng'
'Yu, Hui'
'Zhang, Yi'
'Ye, Heng-Yun'
_publ_section_title
;
 Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite
 Ferroelectrics.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.9b11697
_journal_year                    2019
_chemical_absolute_configuration syn
_chemical_formula_sum            'C28 H56 Eu N12 O28 Rb'
_chemical_formula_weight         1246.27
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 111.889(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9723(4)
_cell_length_b                   20.0722(7)
_cell_length_c                   12.5251(5)
_cell_measurement_reflns_used    11443
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.3280
_cell_measurement_theta_min      2.0240
_cell_volume                     2326.36(17)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.826
_diffrn_measurement_device_type  'rigaku synergy'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.0670
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.826
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            30553
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.769
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.895
_diffrn_reflns_theta_min         2.025
_exptl_absorpt_coefficient_mu    2.493
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84580
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.280
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.099
_refine_ls_abs_structure_details
;
 Flack x determined using 3620 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.015(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         12319
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0391
_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)+(0.0299P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0755
_refine_ls_wR_factor_ref         0.0820
_reflns_Friedel_coverage         0.815
_reflns_Friedel_fraction_full    0.966
_reflns_Friedel_fraction_max     0.708
_reflns_number_gt                9747
_reflns_number_total             12319
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b11697_si_004.cif
_cod_data_source_block           (S3HQ)4RbEu(NO3)8-T293K
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4133835
_shelx_shelxl_version_number     2014/7
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
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
Eu01 Eu 0.00415(3) 0.49041(2) 1.00936(2) 0.02405(7) Uani 1 1 d . .
Rb02 Rb 0.50340(8) 0.24233(9) 1.01039(8) 0.03741(15) Uani 1 1 d . .
N003 N -0.1983(10) 0.5986(4) 1.0247(9) 0.041(2) Uani 1 1 d . .
O28 O -0.1826(5) 0.4534(2) 0.8136(4) 0.0454(11) Uani 1 1 d . .
O27 O -0.1012(5) 0.5742(2) 1.1134(4) 0.0415(11) Uani 1 1 d . .
O26 O 0.0974(5) 0.6102(2) 1.0050(4) 0.0417(11) Uani 1 1 d . .
C008 C -0.4566(10) 0.4569(4) 0.1678(7) 0.046(2) Uani 1 1 d . .
H00A H -0.4214 0.4369 0.1127 0.056 Uiso 1 1 calc R U
H00B H -0.5611 0.4532 0.1378 0.056 Uiso 1 1 calc R U
N009 N 0.1473(5) 0.4938(5) 1.2709(4) 0.0386(11) Uani 1 1 d . .
C00A C -0.4258(14) 0.5250(6) 0.3746(11) 0.067(3) Uani 1 1 d . .
H00C H -0.3771 0.5374 0.4547 0.080 Uiso 1 1 calc R U
H00D H -0.5164 0.5492 0.3442 0.080 Uiso 1 1 calc R U
O25 O 0.2833(10) 0.3354(4) 1.0007(8) 0.071(3) Uani 1 1 d . .
O4 O 0.3257(6) 0.7947(3) 0.5041(5) 0.0651(15) Uani 1 1 d . .
H4C H 0.2892 0.8220 0.5371 0.078 Uiso 1 1 d R U
N10 N 0.2992(8) 0.2066(3) 0.7319(6) 0.0428(16) Uani 1 1 d . .
C00F C 0.3071(9) 0.7533(4) 0.3203(7) 0.048(2) Uani 1 1 d . .
H00E H 0.4094 0.7616 0.3356 0.058 Uiso 1 1 calc R U
O24 O 0.2384(5) 0.5325(2) 0.9914(4) 0.0402(11) Uani 1 1 d . .
O23 O -0.1948(6) 0.4918(5) 0.6486(3) 0.0807(17) Uani 1 1 d . .
C00I C 0.4393(10) 0.4445(4) 0.6206(7) 0.0399(19) Uani 1 1 d . .
H00F H 0.5376 0.4279 0.6459 0.048 Uiso 1 1 calc R U
H00G H 0.3928 0.4365 0.5386 0.048 Uiso 1 1 calc R U
N00J N -0.1970(10) 0.3853(4) 1.0298(7) 0.034(2) Uani 1 1 d . .
C00K C -0.3936(8) 0.4212(3) 0.2810(6) 0.0377(16) Uani 1 1 d . .
H00H H -0.4179 0.3738 0.2705 0.045 Uiso 1 1 calc R U
O22 O 0.2663(6) 0.2571(2) 0.7715(5) 0.0559(14) Uani 1 1 d . .
O21 O 0.2068(5) 0.4069(2) 1.0943(4) 0.0398(11) Uani 1 1 d . .
O20 O 0.4275(6) 0.1889(3) 0.7629(5) 0.0666(16) Uani 1 1 d . .
N00P N 0.0432(6) 0.7312(3) 0.2792(5) 0.0462(15) Uani 1 1 d . .
H00O H -0.0591 0.7232 0.2644 0.055 Uiso 1 1 calc R U
N00Q N 0.7093(8) 0.1985(3) 1.2845(5) 0.0469(15) Uani 1 1 d . .
N00R N 0.2107(10) 0.5944(4) 0.9922(8) 0.040(2) Uani 1 1 d . .
O19 O 0.2037(6) 0.5021(4) 1.3760(4) 0.0643(17) Uani 1 1 d . .
N00T N -0.1374(5) 0.4899(5) 0.7534(3) 0.0413(11) Uani 1 1 d . .
N00U N 0.2015(10) 0.3819(4) 0.9995(8) 0.041(2) Uani 1 1 d . .
N00W N -0.3333(7) 0.5433(3) 0.3082(5) 0.0419(15) Uani 1 1 d . .
H00P H -0.3112 0.5910 0.3176 0.050 Uiso 1 1 calc R U
C00X C 0.4488(9) 0.4968(5) 0.8377(6) 0.060(2) Uani 1 1 d . .
H00I H 0.4078 0.5085 0.8943 0.073 Uiso 1 1 calc R U
H00J H 0.5499 0.5096 0.8674 0.073 Uiso 1 1 calc R U
C00Y C 0.0626(9) 0.7399(7) 0.1663(6) 0.067(2) Uani 1 1 d . .
H00K H -0.0020 0.7742 0.1208 0.080 Uiso 1 1 calc R U
H00L H 0.0407 0.6986 0.1230 0.080 Uiso 1 1 calc R U
C00Z C 0.0910(10) 0.7929(5) 0.3482(9) 0.062(3) Uani 1 1 d . .
H00M H 0.0654 0.7904 0.4157 0.074 Uiso 1 1 calc R U
H00N H 0.0411 0.8309 0.3028 0.074 Uiso 1 1 calc R U
C010 C 0.2184(11) 0.7597(5) 0.1927(7) 0.075(3) Uani 1 1 d . .
H01A H 0.2593 0.7314 0.1498 0.090 Uiso 1 1 calc R U
H01B H 0.2220 0.8054 0.1686 0.090 Uiso 1 1 calc R U
O18 O -0.2813(9) 0.3434(3) 1.0384(7) 0.057(2) Uani 1 1 d . .
C013 C 0.1304(13) 0.6733(5) 0.3432(9) 0.067(3) Uani 1 1 d . .
H01C H 0.0937 0.6324 0.3011 0.081 Uiso 1 1 calc R U
H01D H 0.1232 0.6697 0.4181 0.081 Uiso 1 1 calc R U
O17 O 0.0432(5) 0.4561(2) 1.2237(4) 0.0427(11) Uani 1 1 d . .
O16 O 0.7321(7) 0.2552(2) 1.2581(6) 0.0633(17) Uani 1 1 d . .
O15 O 0.2917(10) 0.6353(4) 0.9761(9) 0.080(3) Uani 1 1 d . .
C018 C 0.8763(12) 0.7929(5) 0.6353(12) 0.094(5) Uani 1 1 d . .
H01E H 0.8637 0.7966 0.5549 0.113 Uiso 1 1 calc R U
H01F H 0.9384 0.8291 0.6769 0.113 Uiso 1 1 calc R U
O14 O -0.2778(10) 0.6428(4) 1.0320(8) 0.078(3) Uani 1 1 d . .
O13 O -0.0794(5) 0.3704(2) 1.0226(4) 0.0435(11) Uani 1 1 d . .
O3 O 0.6242(7) 0.8020(4) 0.5354(6) 0.100(2) Uani 1 1 d . .
H3C H 0.5398 0.7995 0.5363 0.120 Uiso 1 1 d R U
C01C C -0.4134(11) 0.5287(4) 0.1852(8) 0.064(3) Uani 1 1 d . .
H01G H -0.3532 0.5392 0.1420 0.077 Uiso 1 1 calc R U
H01H H -0.4991 0.5564 0.1565 0.077 Uiso 1 1 calc R U
O12 O -0.0316(5) 0.5283(2) 0.8063(4) 0.0429(11) Uani 1 1 d . .
C01E C -0.1970(8) 0.5051(3) 0.3503(7) 0.052(2) Uani 1 1 d . .
H01I H -0.1462 0.5131 0.4319 0.063 Uiso 1 1 calc R U
H01J H -0.1354 0.5192 0.3102 0.063 Uiso 1 1 calc R U
N01F N 0.9441(7) 0.7289(4) 0.6812(6) 0.057(2) Uani 1 1 d . .
H01W H 1.0342 0.7244 0.6676 0.069 Uiso 1 1 calc R U
O11 O -0.2089(5) 0.5743(3) 0.9292(4) 0.0447(12) Uani 1 1 d . .
C01H C 0.3574(8) 0.4088(3) 0.6848(6) 0.0430(16) Uani 1 1 d . .
H01K H 0.3539 0.3609 0.6691 0.052 Uiso 1 1 calc R U
C01I C 0.7327(12) 0.7984(5) 0.6467(10) 0.064(3) Uani 1 1 d . .
H01L H 0.7305 0.8392 0.6890 0.077 Uiso 1 1 calc R U
C01K C -0.4548(11) 0.4520(5) 0.3656(8) 0.045(2) Uani 1 1 d . .
H01M H -0.5580 0.4440 0.3389 0.054 Uiso 1 1 calc R U
H01N H -0.4097 0.4314 0.4407 0.054 Uiso 1 1 calc R U
O10 O 0.1112(6) 0.4055(2) 0.9089(4) 0.0453(12) Uani 1 1 d . .
C01N C 0.8442(18) 0.6727(6) 0.6230(11) 0.102(5) Uani 1 1 d . .
H01O H 0.8191 0.6754 0.5405 0.122 Uiso 1 1 calc R U
H01P H 0.8924 0.6305 0.6496 0.122 Uiso 1 1 calc R U
C01O C 0.7122(9) 0.7396(6) 0.7121(9) 0.068(2) Uani 1 1 d . .
H01Q H 0.6224 0.7443 0.7261 0.082 Uiso 1 1 calc R U
N01P N 0.3697(6) 0.5318(3) 0.7270(5) 0.0439(14) Uani 1 1 d . .
H01X H 0.3732 0.5799 0.7416 0.053 Uiso 1 1 calc R U
O9 O 0.5886(6) 0.1715(3) 1.2392(5) 0.0612(14) Uani 1 1 d . .
C01T C 0.4403(12) 0.5183(4) 0.6448(9) 0.053(3) Uani 1 1 d . .
H01R H 0.5392 0.5342 0.6763 0.063 Uiso 1 1 calc R U
H01S H 0.3900 0.5420 0.5736 0.063 Uiso 1 1 calc R U
O8 O -0.2264(5) 0.4471(2) 1.0275(4) 0.0416(11) Uani 1 1 d . .
C01V C 0.9747(10) 0.7223(5) 0.8051(8) 0.077(3) Uani 1 1 d . .
H01T H 1.0503 0.7532 0.8480 0.092 Uiso 1 1 calc R U
H01U H 1.0077 0.6775 0.8304 0.092 Uiso 1 1 calc R U
O2 O -0.1721(5) 0.3930(2) 0.4320(4) 0.0546(12) Uani 1 1 d . .
H2C H -0.0831 0.4024 0.4642 0.066 Uiso 1 1 d R U
O7 O 0.1920(5) 0.5286(2) 1.2055(4) 0.0397(11) Uani 1 1 d . .
C01Z C -0.2313(7) 0.4300(3) 0.3290(6) 0.0358(14) Uani 1 1 d . .
H01V H -0.1920 0.4134 0.2731 0.043 Uiso 1 1 calc R U
C020 C 0.2156(8) 0.5105(3) 0.6775(8) 0.055(2) Uani 1 1 d . .
H02A H 0.1650 0.5354 0.6077 0.066 Uiso 1 1 calc R U
H02B H 0.1697 0.5198 0.7319 0.066 Uiso 1 1 calc R U
C022 C 0.2515(9) 0.8028(4) 0.3855(7) 0.0436(19) Uani 1 1 d . .
H02C H 0.2694 0.8480 0.3641 0.052 Uiso 1 1 calc R U
C023 C 0.4339(9) 0.4213(4) 0.8132(6) 0.060(2) Uani 1 1 d . .
H02D H 0.5289 0.4010 0.8400 0.071 Uiso 1 1 calc R U
H02E H 0.3792 0.4012 0.8546 0.071 Uiso 1 1 calc R U
C3 C 0.2054(8) 0.4361(3) 0.6503(6) 0.0419(17) Uani 1 1 d . .
H3A H 0.1594 0.4143 0.6978 0.050 Uiso 1 1 calc R U
O6 O 0.8101(6) 0.1668(3) 1.3573(5) 0.0725(16) Uani 1 1 d . .
O5 O 0.2018(6) 0.1710(2) 0.6625(5) 0.0576(13) Uani 1 1 d . .
C11 C 0.8419(11) 0.7367(8) 0.8268(8) 0.088(3) Uani 1 1 d . .
H11A H 0.8519 0.7789 0.8667 0.106 Uiso 1 1 calc R U
H11B H 0.8264 0.7022 0.8752 0.106 Uiso 1 1 calc R U
O1 O 0.1184(5) 0.4240(3) 0.5324(4) 0.0561(13) Uani 1 1 d . .
H1C H 0.1472 0.4478 0.4894 0.067 Uiso 1 1 d R U
C6 C 0.2867(11) 0.6834(4) 0.3575(9) 0.055(3) Uani 1 1 d . .
H6A H 0.3132 0.6511 0.3112 0.066 Uiso 1 1 calc R U
H6B H 0.3489 0.6767 0.4374 0.066 Uiso 1 1 calc R U
C0AA C 0.7102(15) 0.6763(6) 0.6493(12) 0.090(4) Uani 1 1 d . .
H0AA H 0.7059 0.6385 0.6962 0.108 Uiso 1 1 calc R U
H0AB H 0.6256 0.6750 0.5784 0.108 Uiso 1 1 calc R U
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'
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'
Eu Eu -0.1578 3.6682 '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'
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
O21 Eu01 O8 110.01(16) . .
O21 Eu01 O12 114.14(15) . .
O8 Eu01 O12 113.32(15) . .
O21 Eu01 O24 69.24(14) . .
O8 Eu01 O24 179.20(18) . .
O12 Eu01 O24 66.94(15) . .
O21 Eu01 O13 65.23(16) . .
O8 Eu01 O13 49.45(14) . .
O12 Eu01 O13 114.53(15) . .
O24 Eu01 O13 129.75(15) . .
O21 Eu01 O10 49.94(15) . .
O8 Eu01 O10 111.71(16) . .
O12 Eu01 O10 68.84(15) . .
O24 Eu01 O10 67.62(14) . .
O13 Eu01 O10 67.36(15) . .
O21 Eu01 O28 112.91(16) . .
O8 Eu01 O28 68.27(15) . .
O12 Eu01 O28 49.72(14) . .
O24 Eu01 O28 111.69(14) . .
O13 Eu01 O28 69.78(15) . .
O10 Eu01 O28 68.13(16) . .
O21 Eu01 O27 129.08(14) . .
O8 Eu01 O27 68.06(14) . .
O12 Eu01 O27 112.21(15) . .
O24 Eu01 O27 112.60(16) . .
O13 Eu01 O27 112.03(14) . .
O10 Eu01 O27 178.95(16) . .
O28 Eu01 O27 112.56(16) . .
O21 Eu01 O26 112.77(15) . .
O8 Eu01 O26 131.53(16) . .
O12 Eu01 O26 67.61(14) . .
O24 Eu01 O26 49.26(14) . .
O13 Eu01 O26 177.43(17) . .
O10 Eu01 O26 112.81(14) . .
O28 Eu01 O26 112.74(15) . .
O27 Eu01 O26 67.76(15) . .
O21 Eu01 O7 67.41(14) . .
O8 Eu01 O7 112.01(14) . .
O12 Eu01 O7 129.86(15) . .
O24 Eu01 O7 68.04(14) . .
O13 Eu01 O7 110.69(15) . .
O10 Eu01 O7 112.02(16) . .
O28 Eu01 O7 179.53(17) . .
O27 Eu01 O7 67.30(15) . .
O26 Eu01 O7 66.79(14) . .
O21 Eu01 O11 177.31(15) . .
O8 Eu01 O11 67.70(14) . .
O12 Eu01 O11 68.40(15) . .
O24 Eu01 O11 113.06(16) . .
O13 Eu01 O11 113.13(16) . .
O10 Eu01 O11 131.88(16) . .
O28 Eu01 O11 67.84(16) . .
O27 Eu01 O11 49.08(14) . .
O26 Eu01 O11 68.80(16) . .
O7 Eu01 O11 111.86(16) . .
O21 Eu01 O17 67.08(14) . .
O8 Eu01 O17 67.56(15) . .
O12 Eu01 O17 177.67(17) . .
O24 Eu01 O17 112.21(14) . .
O13 Eu01 O17 67.73(15) . .
O10 Eu01 O17 113.01(16) . .
O28 Eu01 O17 132.00(16) . .
O27 Eu01 O17 65.95(13) . .
O26 Eu01 O17 110.14(14) . .
O7 Eu01 O17 48.41(13) . .
O11 Eu01 O17 110.42(15) . .
O25 Rb02 O18 94.1(3) . 1_655
O25 Rb02 O14 84.91(17) . 2_547
O18 Rb02 O14 176.6(3) 1_655 2_547
O25 Rb02 O15 173.6(3) . 2_647
O18 Rb02 O15 92.14(14) 1_655 2_647
O14 Rb02 O15 89.0(3) 2_547 2_647
O25 Rb02 O9 106.7(2) . .
O18 Rb02 O9 106.4(2) 1_655 .
O14 Rb02 O9 77.0(2) 2_547 .
O15 Rb02 O9 69.9(2) 2_647 .
O25 Rb02 O22 66.0(2) . .
O18 Rb02 O22 108.7(2) 1_655 .
O14 Rb02 O22 67.9(2) 2_547 .
O15 Rb02 O22 113.3(2) 2_647 .
O9 Rb02 O22 144.52(16) . .
O25 Rb02 O20 106.7(2) . .
O18 Rb02 O20 105.02(19) 1_655 .
O14 Rb02 O20 72.2(2) 2_547 .
O15 Rb02 O20 73.0(2) 2_647 .
O9 Rb02 O20 131.58(19) . .
O22 Rb02 O20 40.78(14) . .
O25 Rb02 O16 104.8(2) . .
O18 Rb02 O16 65.32(19) 1_655 .
O14 Rb02 O16 118.1(2) 2_547 .
O15 Rb02 O16 76.5(2) 2_647 .
O9 Rb02 O16 41.32(14) . .
O22 Rb02 O16 169.25(15) . .
O20 Rb02 O16 147.66(16) . .
O25 Rb02 N00Q 112.2(2) . .
O18 Rb02 N00Q 85.2(2) 1_655 .
O14 Rb02 N00Q 98.2(2) 2_547 .
O15 Rb02 N00Q 66.8(2) 2_647 .
O9 Rb02 N00Q 21.42(13) . .
O22 Rb02 N00Q 165.94(15) . .
O20 Rb02 N00Q 138.86(17) . .
O16 Rb02 N00Q 21.21(13) . .
O25 Rb02 N10 86.4(2) . .
O18 Rb02 N10 114.1(2) 1_655 .
O14 Rb02 N10 62.6(2) 2_547 .
O15 Rb02 N10 92.5(2) 2_647 .
O9 Rb02 N10 136.34(17) . .
O22 Rb02 N10 21.06(12) . .
O20 Rb02 N10 21.43(14) . .
O16 Rb02 N10 168.81(15) . .
N00Q Rb02 N10 152.80(18) . .
O14 N003 O11 121.9(9) . .
O14 N003 O27 121.4(9) . .
O11 N003 O27 116.7(7) . .
O14 N003 Eu01 178.9(8) . .
O11 N003 Eu01 58.9(4) . .
O27 N003 Eu01 57.9(4) . .
N00T O28 Eu01 96.3(4) . .
N003 O27 Eu01 97.5(5) . .
N00R O26 Eu01 96.7(5) . .
C01C C008 C00K 108.9(8) . .
C01C C008 H00A 109.9 . .
C00K C008 H00A 109.9 . .
C01C C008 H00B 109.9 . .
C00K C008 H00B 109.9 . .
H00A C008 H00B 108.3 . .
O19 N009 O17 123.9(6) . .
O19 N009 O7 118.8(7) . .
O17 N009 O7 117.2(5) . .
O19 N009 Eu01 173.6(7) . .
O17 N009 Eu01 60.1(3) . .
O7 N009 Eu01 57.2(3) . .
C01K C00A N00W 109.9(8) . .
C01K C00A H00C 109.7 . .
N00W C00A H00C 109.7 . .
C01K C00A H00D 109.7 . .
N00W C00A H00D 109.7 . .
H00C C00A H00D 108.2 . .
N00U O25 Rb02 171.8(7) . .
C022 O4 H4C 106.8 . .
O22 N10 O20 120.7(7) . .
O22 N10 O5 119.8(7) . .
O20 N10 O5 119.5(6) . .
O22 N10 Rb02 63.8(4) . .
O20 N10 Rb02 65.6(4) . .
O5 N10 Rb02 147.5(5) . .
C022 C00F C010 109.0(8) . .
C022 C00F C6 108.9(7) . .
C010 C00F C6 108.1(7) . .
C022 C00F H00E 110.3 . .
C010 C00F H00E 110.3 . .
C6 C00F H00E 110.3 . .
N00R O24 Eu01 96.5(5) . .
C01T C00I C01H 108.6(7) . .
C01T C00I H00F 110.0 . .
C01H C00I H00F 110.0 . .
C01T C00I H00G 110.0 . .
C01H C00I H00G 110.0 . .
H00F C00I H00G 108.3 . .
O18 N00J O13 122.7(7) . .
O18 N00J O8 120.8(8) . .
O13 N00J O8 116.5(7) . .
O18 N00J Eu01 178.5(6) . .
O13 N00J Eu01 58.8(4) . .
O8 N00J Eu01 57.7(4) . .
C008 C00K C01Z 109.2(6) . .
C008 C00K C01K 109.0(6) . .
C01Z C00K C01K 108.7(6) . .
C008 C00K H00H 109.9 . .
C01Z C00K H00H 109.9 . .
C01K C00K H00H 109.9 . .
N10 O22 Rb02 95.2(5) . .
N00U O21 Eu01 96.9(5) . .
N10 O20 Rb02 93.0(4) . .
C00Z N00P C013 109.9(6) . .
C00Z N00P C00Y 108.9(8) . .
C013 N00P C00Y 110.0(7) . .
C00Z N00P H00O 109.4 . .
C013 N00P H00O 109.4 . .
C00Y N00P H00O 109.4 . .
O16 N00Q O9 121.6(7) . .
O16 N00Q O6 119.2(7) . .
O9 N00Q O6 119.2(6) . .
O16 N00Q Rb02 65.9(4) . .
O9 N00Q Rb02 62.3(4) . .
O6 N00Q Rb02 152.6(5) . .
O15 N00R O26 122.7(8) . .
O15 N00R O24 119.7(8) . .
O26 N00R O24 117.5(7) . .
O15 N00R Eu01 174.8(7) . .
O26 N00R Eu01 59.0(4) . .
O24 N00R Eu01 58.5(4) . .
O23 N00T O28 122.5(7) . .
O23 N00T O12 120.2(7) . .
O28 N00T O12 117.2(4) . .
O23 N00T Eu01 177.9(8) . .
O28 N00T Eu01 59.1(3) . .
O12 N00T Eu01 58.1(3) . .
O25 N00U O10 123.1(8) . .
O25 N00U O21 119.3(9) . .
O10 N00U O21 117.7(7) . .
O25 N00U Eu01 176.6(6) . .
O10 N00U Eu01 59.7(4) . .
O21 N00U Eu01 58.0(4) . .
C01E N00W C01C 109.7(6) . .
C01E N00W C00A 110.5(7) . .
C01C N00W C00A 109.0(8) . .
C01E N00W H00P 109.2 . .
C01C N00W H00P 109.2 . .
C00A N00W H00P 109.2 . .
N01P C00X C023 107.4(6) . .
N01P C00X H00I 110.2 . .
C023 C00X H00I 110.2 . .
N01P C00X H00J 110.2 . .
C023 C00X H00J 110.2 . .
H00I C00X H00J 108.5 . .
N00P C00Y C010 107.8(6) . .
N00P C00Y H00K 110.1 . .
C010 C00Y H00K 110.1 . .
N00P C00Y H00L 110.1 . .
C010 C00Y H00L 110.1 . .
H00K C00Y H00L 108.5 . .
N00P C00Z C022 111.4(6) . .
N00P C00Z H00M 109.4 . .
C022 C00Z H00M 109.4 . .
N00P C00Z H00N 109.4 . .
C022 C00Z H00N 109.4 . .
H00M C00Z H00N 108.0 . .
C00F C010 C00Y 110.8(7) . .
C00F C010 H01A 109.5 . .
C00Y C010 H01A 109.5 . .
C00F C010 H01B 109.5 . .
C00Y C010 H01B 109.5 . .
H01A C010 H01B 108.1 . .
N00J O18 Rb02 168.7(6) . 1_455
N00P C013 C6 109.1(7) . .
N00P C013 H01C 109.9 . .
C6 C013 H01C 109.9 . .
N00P C013 H01D 109.9 . .
C6 C013 H01D 109.9 . .
H01C C013 H01D 108.3 . .
N009 O17 Eu01 96.0(3) . .
N00Q O16 Rb02 92.9(5) . .
N00R O15 Rb02 167.3(7) . 2_657
N01F C018 C01I 110.2(7) . .
N01F C018 H01E 109.6 . .
C01I C018 H01E 109.6 . .
N01F C018 H01F 109.6 . .
C01I C018 H01F 109.6 . .
H01E C018 H01F 108.1 . .
N003 O14 Rb02 165.9(8) . 2_557
N00J O13 Eu01 96.7(4) . .
C01I O3 H3C 112.5 . .
N00W C01C C008 110.9(7) . .
N00W C01C H01G 109.4 . .
C008 C01C H01G 109.4 . .
N00W C01C H01H 109.4 . .
C008 C01C H01H 109.4 . .
H01G C01C H01H 108.0 . .
N00T O12 Eu01 96.8(3) . .
N00W C01E C01Z 109.2(6) . .
N00W C01E H01I 109.8 . .
C01Z C01E H01I 109.8 . .
N00W C01E H01J 109.8 . .
C01Z C01E H01J 109.8 . .
H01I C01E H01J 108.3 . .
C018 N01F C01V 112.1(9) . .
C018 N01F C01N 110.0(8) . .
C01V N01F C01N 106.4(8) . .
C018 N01F H01W 109.4 . .
C01V N01F H01W 109.4 . .
C01N N01F H01W 109.4 . .
N003 O11 Eu01 96.7(5) . .
C3 C01H C00I 110.8(6) . .
C3 C01H C023 107.2(6) . .
C00I C01H C023 108.9(6) . .
C3 C01H H01K 110.0 . .
C00I C01H H01K 110.0 . .
C023 C01H H01K 110.0 . .
O3 C01I C01O 111.8(9) . .
O3 C01I C018 108.5(10) . .
C01O C01I C018 109.0(8) . .
O3 C01I H01L 109.1 . .
C01O C01I H01L 109.1 . .
C018 C01I H01L 109.1 . .
C00A C01K C00K 109.3(8) . .
C00A C01K H01M 109.8 . .
C00K C01K H01M 109.8 . .
C00A C01K H01N 109.8 . .
C00K C01K H01N 109.8 . .
H01M C01K H01N 108.3 . .
N00U O10 Eu01 95.5(4) . .
C0AA C01N N01F 110.1(9) . .
C0AA C01N H01O 109.6 . .
N01F C01N H01O 109.6 . .
C0AA C01N H01P 109.6 . .
N01F C01N H01P 109.6 . .
H01O C01N H01P 108.1 . .
C0AA C01O C01I 111.2(8) . .
C0AA C01O C11 107.6(10) . .
C01I C01O C11 107.7(10) . .
C0AA C01O H01Q 110.1 . .
C01I C01O H01Q 110.1 . .
C11 C01O H01Q 110.1 . .
C01T N01P C00X 109.8(7) . .
C01T N01P C020 110.1(6) . .
C00X N01P C020 110.9(6) . .
C01T N01P H01X 108.7 . .
C00X N01P H01X 108.7 . .
C020 N01P H01X 108.7 . .
N00Q O9 Rb02 96.3(4) . .
N01P C01T C00I 110.7(6) . .
N01P C01T H01R 109.5 . .
C00I C01T H01R 109.5 . .
N01P C01T H01S 109.5 . .
C00I C01T H01S 109.5 . .
H01R C01T H01S 108.1 . .
N00J O8 Eu01 97.3(5) . .
N01F C01V C11 109.2(8) . .
N01F C01V H01T 109.8 . .
C11 C01V H01T 109.8 . .
N01F C01V H01U 109.8 . .
C11 C01V H01U 109.8 . .
H01T C01V H01U 108.3 . .
C01Z O2 H2C 108.9 . .
N009 O7 Eu01 98.3(4) . .
O2 C01Z C00K 108.9(5) . .
O2 C01Z C01E 111.4(6) . .
C00K C01Z C01E 108.5(6) . .
O2 C01Z H01V 109.4 . .
C00K C01Z H01V 109.4 . .
C01E C01Z H01V 109.4 . .
N01P C020 C3 110.3(6) . .
N01P C020 H02A 109.6 . .
C3 C020 H02A 109.6 . .
N01P C020 H02B 109.6 . .
C3 C020 H02B 109.6 . .
H02A C020 H02B 108.1 . .
O4 C022 C00Z 113.2(7) . .
O4 C022 C00F 109.9(7) . .
C00Z C022 C00F 107.9(6) . .
O4 C022 H02C 108.6 . .
C00Z C022 H02C 108.6 . .
C00F C022 H02C 108.6 . .
C01H C023 C00X 110.2(6) . .
C01H C023 H02D 109.6 . .
C00X C023 H02D 109.6 . .
C01H C023 H02E 109.6 . .
C00X C023 H02E 109.6 . .
H02D C023 H02E 108.1 . .
O1 C3 C01H 113.0(6) . .
O1 C3 C020 111.2(7) . .
C01H C3 C020 108.3(6) . .
O1 C3 H3A 108.0 . .
C01H C3 H3A 108.0 . .
C020 C3 H3A 108.0 . .
C01V C11 C01O 109.6(7) . .
C01V C11 H11A 109.7 . .
C01O C11 H11A 109.7 . .
C01V C11 H11B 109.7 . .
C01O C11 H11B 109.7 . .
H11A C11 H11B 108.2 . .
C3 O1 H1C 110.0 . .
C013 C6 C00F 109.7(8) . .
C013 C6 H6A 109.7 . .
C00F C6 H6A 109.7 . .
C013 C6 H6B 109.7 . .
C00F C6 H6B 109.7 . .
H6A C6 H6B 108.2 . .
C01N C0AA C01O 108.6(9) . .
C01N C0AA H0AA 110.0 . .
C01O C0AA H0AA 110.0 . .
C01N C0AA H0AB 110.0 . .
C01O C0AA H0AB 110.0 . .
H0AA C0AA H0AB 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu01 O21 2.534(5) .
Eu01 O8 2.546(4) .
Eu01 O12 2.550(4) .
Eu01 O24 2.572(4) .
Eu01 O13 2.574(4) .
Eu01 O10 2.575(4) .
Eu01 O28 2.575(5) .
Eu01 O27 2.579(4) .
Eu01 O26 2.587(4) .
Eu01 O7 2.589(5) .
Eu01 O11 2.601(5) .
Eu01 O17 2.656(4) .
Rb02 O25 2.851(7) .
Rb02 O18 2.879(7) 1_655
Rb02 O14 2.906(8) 2_547
Rb02 O15 2.926(8) 2_647
Rb02 O9 3.023(5) .
Rb02 O22 3.058(6) .
Rb02 O20 3.095(6) .
Rb02 O16 3.102(7) .
Rb02 N00Q 3.394(7) .
Rb02 N10 3.396(7) .
N003 O14 1.217(8) .
N003 O11 1.258(10) .
N003 O27 1.269(10) .
O28 N00T 1.249(8) .
O26 N00R 1.240(10) .
C008 C01C 1.497(10) .
C008 C00K 1.501(10) .
C008 H00A 0.9700 .
C008 H00B 0.9700 .
N009 O19 1.234(6) .
N009 O17 1.242(8) .
N009 O7 1.277(7) .
C00A C01K 1.491(10) .
C00A N00W 1.499(12) .
C00A H00C 0.9700 .
C00A H00D 0.9700 .
O25 N00U 1.236(8) .
O4 C022 1.401(10) .
O4 H4C 0.8460 .
N10 O22 1.225(7) .
N10 O20 1.243(8) .
N10 O5 1.258(8) .
C00F C022 1.516(10) .
C00F C010 1.516(12) .
C00F C6 1.517(13) .
C00F H00E 0.9800 .
O24 N00R 1.274(9) .
O23 N00T 1.222(6) .
C00I C01T 1.510(10) .
C00I C01H 1.523(10) .
C00I H00F 0.9700 .
C00I H00G 0.9700 .
N00J O18 1.221(8) .
N00J O13 1.245(10) .
N00J O8 1.273(9) .
C00K C01Z 1.511(9) .
C00K C01K 1.536(11) .
C00K H00H 0.9800 .
O21 N00U 1.272(10) .
N00P C00Z 1.485(9) .
N00P C013 1.493(12) .
N00P C00Y 1.507(10) .
N00P H00O 0.9800 .
N00Q O16 1.230(7) .
N00Q O9 1.247(8) .
N00Q O6 1.250(8) .
N00R O15 1.220(8) .
N00T O12 1.276(8) .
N00U O10 1.250(10) .
N00W C01E 1.476(9) .
N00W C01C 1.476(10) .
N00W H00P 0.9800 .
C00X N01P 1.491(9) .
C00X C023 1.542(12) .
C00X H00I 0.9700 .
C00X H00J 0.9700 .
C00Y C010 1.516(12) .
C00Y H00K 0.9700 .
C00Y H00L 0.9700 .
C00Z C022 1.504(12) .
C00Z H00M 0.9700 .
C00Z H00N 0.9700 .
C010 H01A 0.9700 .
C010 H01B 0.9700 .
O18 Rb02 2.879(7) 1_455
C013 C6 1.515(13) .
C013 H01C 0.9700 .
C013 H01D 0.9700 .
O15 Rb02 2.926(8) 2_657
C018 N01F 1.466(11) .
C018 C01I 1.495(14) .
C018 H01E 0.9700 .
C018 H01F 0.9700 .
O14 Rb02 2.906(8) 2_557
O3 C01I 1.412(12) .
O3 H3C 0.8470 .
C01C H01G 0.9700 .
C01C H01H 0.9700 .
C01E C01Z 1.546(9) .
C01E H01I 0.9700 .
C01E H01J 0.9700 .
N01F C01V 1.473(10) .
N01F C01N 1.501(13) .
N01F H01W 0.9800 .
C01H C3 1.515(10) .
C01H C023 1.522(9) .
C01H H01K 0.9800 .
C01I C01O 1.493(14) .
C01I H01L 0.9800 .
C01K H01M 0.9700 .
C01K H01N 0.9700 .
C01N C0AA 1.492(16) .
C01N H01O 0.9700 .
C01N H01P 0.9700 .
C01O C0AA 1.491(15) .
C01O C11 1.534(13) .
C01O H01Q 0.9800 .
N01P C01T 1.472(10) .
N01P C020 1.490(9) .
N01P H01X 0.9800 .
C01T H01R 0.9700 .
C01T H01S 0.9700 .
C01V C11 1.476(12) .
C01V H01T 0.9700 .
C01V H01U 0.9700 .
O2 C01Z 1.413(7) .
O2 H2C 0.8483 .
C01Z H01V 0.9800 .
C020 C3 1.525(10) .
C020 H02A 0.9700 .
C020 H02B 0.9700 .
C022 H02C 0.9800 .
C023 H02D 0.9700 .
C023 H02E 0.9700 .
C3 O1 1.428(8) .
C3 H3A 0.9800 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
O1 H1C 0.8460 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C0AA H0AA 0.9700 .
C0AA H0AB 0.9700 .
