#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:54:16 +0100 (dom 17 de nov de 2019) $
#$Revision: 229716 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/80/7048079.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_7048079
loop_
_publ_author_name
'Abad Galán, Laura'
'Sobolev, Alexandre N.'
'Zysman-Colman, Eli'
'Ogden, Mark I.'
'Massi, Massimiliano'
_publ_section_title
;
 Lanthanoid complexes supported by retro-Claisen condensation products of
 β-triketonates.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17469
_journal_page_last               17478
_journal_paper_doi               10.1039/c8dt03585g
_journal_volume                  47
_journal_year                    2018
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C92 H108 Cs Eu O8'
_chemical_formula_sum            'C92 H108 Cs Eu O8'
_chemical_formula_weight         1626.65
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'I 2y'
_space_group_name_H-M_alt        'I 1 2 1'
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-10-10 deposited with the CCDC.
2018-11-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.984(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   21.3014(2)
_cell_length_b                   8.0066(1)
_cell_length_c                   23.7700(3)
_cell_measurement_reflns_used    22568
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.68
_cell_measurement_theta_min      2.933
_cell_volume                     3992.62(8)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0009
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type
'Oxford Diffraction Xcalibur-S, Sapphire3 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0244943
_diffrn_orient_matrix_UB_12      -0.0132227
_diffrn_orient_matrix_UB_13      0.0162718
_diffrn_orient_matrix_UB_21      0.0232283
_diffrn_orient_matrix_UB_22      -0.0213234
_diffrn_orient_matrix_UB_23      0.0240637
_diffrn_orient_matrix_UB_31      0.0020226
_diffrn_orient_matrix_UB_32      0.0849503
_diffrn_orient_matrix_UB_33      0.0086094
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            42702
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.064
_diffrn_reflns_theta_min         2.892
_exptl_absorpt_coefficient_mu    1.291
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.88346
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_description       plate
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.890
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.014(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         13119
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0277
_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)+(0.0390P)²+3.9000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0709
_reflns_Friedel_coverage         0.847
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.920
_reflns_number_gt                12624
_reflns_number_total             13119
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt03585g2.cif
_cod_data_source_block           mxm253la
_cod_depositor_comments
'Adding full bibliography for 7048079--7048089.cif.'
_cod_database_code               7048079
_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.
;
_shelx_estimated_absorpt_t_min   0.640
_shelx_estimated_absorpt_t_max   0.801
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'
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
Eu1 Eu 0.500000 0.46473(2) 0.500000 0.01418(4) Uani 1 2 d S T P
Cs1 Cs 0.500000 0.96931(5) 0.500000 0.02989(6) Uani 1 2 d S T P
C11 C 0.38476(14) 0.7146(5) 0.57203(13) 0.0227(5) Uani 1 1 d . . .
H11 H 0.352340 0.755713 0.591225 0.027 Uiso 1 1 calc R U .
O11 O 0.41114(10) 0.6485(3) 0.48227(9) 0.0197(4) Uani 1 1 d . . .
O12 O 0.49213(10) 0.6233(3) 0.58427(9) 0.0211(4) Uani 1 1 d . . .
C110 C 0.37086(14) 0.6977(4) 0.51226(13) 0.0189(5) Uani 1 1 d . . .
C111 C 0.30541(13) 0.7361(4) 0.48064(12) 0.0194(5) Uani 1 1 d . . .
C112 C 0.29124(16) 0.6955(4) 0.42285(14) 0.0264(7) Uani 1 1 d . . .
H112 H 0.323418 0.650366 0.404193 0.032 Uiso 1 1 calc R U .
C113 C 0.23004(16) 0.7209(6) 0.39238(14) 0.0319(7) Uani 1 1 d . . .
H113 H 0.220838 0.690557 0.353173 0.038 Uiso 1 1 calc R U .
C114 C 0.18192(15) 0.7898(5) 0.41809(15) 0.0313(7) Uani 1 1 d . . .
C115 C 0.19715(17) 0.8318(6) 0.47519(16) 0.0369(8) Uani 1 1 d . . .
H115 H 0.165378 0.879899 0.493661 0.044 Uiso 1 1 calc R U .
C116 C 0.25745(16) 0.8054(5) 0.50605(15) 0.0314(7) Uani 1 1 d . . .
H116 H 0.266293 0.835086 0.545320 0.038 Uiso 1 1 calc R U .
C117 C 0.11634(19) 0.8223(7) 0.38608(19) 0.0498(12) Uani 1 1 d . . .
H11A H 0.089014 0.858899 0.413468 0.060 Uiso 1 1 calc R U .
H11B H 0.118309 0.915013 0.358902 0.060 Uiso 1 1 calc R U .
C118 C 0.0865(3) 0.6770(11) 0.3543(3) 0.078(2) Uani 1 1 d . . .
H11C H 0.110986 0.649755 0.323685 0.093 Uiso 1 1 calc R U .
H11D H 0.042916 0.708804 0.335572 0.093 Uiso 1 1 calc R U .
C119 C 0.0820(3) 0.5250(8) 0.3885(4) 0.083(2) Uani 1 1 d . . .
H11E H 0.125674 0.489500 0.405666 0.100 Uiso 1 1 calc R U .
H11F H 0.062916 0.434657 0.362619 0.100 Uiso 1 1 calc R U .
C101 C 0.0420(4) 0.5462(9) 0.4371(4) 0.096(3) Uani 1 1 d . . .
H10A H 0.045782 0.445121 0.460655 0.145 Uiso 1 1 calc R U .
H10B H -0.002814 0.564364 0.420242 0.145 Uiso 1 1 calc R U .
H10C H 0.057918 0.642385 0.460808 0.145 Uiso 1 1 calc R U .
C120 C 0.44410(14) 0.6739(4) 0.60470(12) 0.0191(5) Uani 1 1 d . . .
C121 C 0.45238(14) 0.6828(4) 0.66861(12) 0.0193(5) Uani 1 1 d . . .
C122 C 0.50125(14) 0.5899(4) 0.70021(13) 0.0222(6) Uani 1 1 d . . .
H122 H 0.529967 0.530953 0.680988 0.027 Uiso 1 1 calc R U .
C123 C 0.50891(15) 0.5816(4) 0.75938(13) 0.0245(6) Uani 1 1 d . . .
H123 H 0.542526 0.516647 0.780071 0.029 Uiso 1 1 calc R U .
C124 C 0.46742(15) 0.6682(4) 0.78880(13) 0.0241(6) Uani 1 1 d . . .
C125 C 0.42014(16) 0.7655(5) 0.75715(14) 0.0289(7) Uani 1 1 d . . .
H125 H 0.392586 0.828437 0.776450 0.035 Uiso 1 1 calc R U .
C126 C 0.41205(16) 0.7731(4) 0.69793(13) 0.0269(6) Uani 1 1 d . . .
H126 H 0.379012 0.839956 0.677298 0.032 Uiso 1 1 calc R U .
C127 C 0.47196(16) 0.6502(5) 0.85243(13) 0.0274(6) Uani 1 1 d . . .
H12A H 0.457608 0.755102 0.868280 0.033 Uiso 1 1 calc R U .
H12B H 0.516977 0.631269 0.870152 0.033 Uiso 1 1 calc R U .
C128 C 0.43108(18) 0.5045(4) 0.86751(14) 0.0308(7) Uani 1 1 d . . .
H12C H 0.385973 0.526201 0.850705 0.037 Uiso 1 1 calc R U .
H12D H 0.444311 0.401123 0.849923 0.037 Uiso 1 1 calc R U .
C129 C 0.43599(17) 0.4760(6) 0.93193(13) 0.0343(7) Uani 1 1 d . . .
H12E H 0.410631 0.376196 0.938112 0.041 Uiso 1 1 calc R U .
H12F H 0.481002 0.452921 0.948710 0.041 Uiso 1 1 calc R U .
C102 C 0.4126(2) 0.6247(5) 0.96321(15) 0.0365(8) Uani 1 1 d . . .
H10D H 0.416358 0.598284 1.003907 0.055 Uiso 1 1 calc R U .
H10E H 0.367897 0.647836 0.947134 0.055 Uiso 1 1 calc R U .
H10F H 0.438549 0.723198 0.958582 0.055 Uiso 1 1 calc R U .
O21 O 0.44009(9) 0.2899(3) 0.55337(9) 0.0197(4) Uani 1 1 d . . .
C21 C 0.34111(15) 0.2485(4) 0.49253(13) 0.0241(6) Uani 1 1 d . . .
H21 H 0.297387 0.221724 0.490951 0.029 Uiso 1 1 calc R U .
O22 O 0.42092(9) 0.3083(3) 0.43695(9) 0.0205(4) Uani 1 1 d . . .
C210 C 0.38044(13) 0.2586(3) 0.54629(14) 0.0185(5) Uani 1 1 d . . .
C211 C 0.35242(13) 0.2372(4) 0.59951(12) 0.0195(5) Uani 1 1 d . . .
C212 C 0.38859(14) 0.2901(4) 0.65128(13) 0.0230(6) Uani 1 1 d . . .
H212 H 0.430801 0.329431 0.651969 0.028 Uiso 1 1 calc R U .
C213 C 0.36407(16) 0.2863(4) 0.70141(13) 0.0271(6) Uani 1 1 d . . .
H213 H 0.389325 0.325757 0.735727 0.033 Uiso 1 1 calc R U .
C214 C 0.30280(14) 0.2253(5) 0.70260(12) 0.0238(5) Uani 1 1 d . . .
C215 C 0.26819(15) 0.1660(5) 0.65175(14) 0.0293(7) Uani 1 1 d . . .
H215 H 0.227278 0.118811 0.651753 0.035 Uiso 1 1 calc R U .
C216 C 0.29164(15) 0.1736(5) 0.60066(14) 0.0279(7) Uani 1 1 d . . .
H216 H 0.266089 0.135257 0.566330 0.034 Uiso 1 1 calc R U .
C217 C 0.27586(17) 0.2261(6) 0.75742(13) 0.0289(6) Uani 1 1 d . . .
H21A H 0.231410 0.184810 0.749073 0.035 Uiso 1 1 calc R U .
H21B H 0.274603 0.342836 0.770909 0.035 Uiso 1 1 calc R U .
C218 C 0.31279(16) 0.1212(4) 0.80535(14) 0.0263(6) Uani 1 1 d . . .
H21C H 0.357906 0.157464 0.812205 0.032 Uiso 1 1 calc R U .
H21D H 0.311575 0.002977 0.793019 0.032 Uiso 1 1 calc R U .
C219 C 0.2872(2) 0.1330(5) 0.86111(15) 0.0369(8) Uani 1 1 d . . .
H21E H 0.287245 0.251518 0.873045 0.044 Uiso 1 1 calc R U .
H21F H 0.242532 0.093171 0.854736 0.044 Uiso 1 1 calc R U .
C201 C 0.3261(2) 0.0313(6) 0.90876(18) 0.0435(10) Uani 1 1 d . . .
H20A H 0.307027 0.040413 0.943310 0.065 Uiso 1 1 calc R U .
H20B H 0.369867 0.073954 0.916615 0.065 Uiso 1 1 calc R U .
H20C H 0.326484 -0.086014 0.897095 0.065 Uiso 1 1 calc R U .
C220 C 0.36324(13) 0.2761(4) 0.44085(12) 0.0194(5) Uani 1 1 d . . .
C221 C 0.31625(14) 0.2735(4) 0.38604(13) 0.0210(5) Uani 1 1 d . . .
C222 C 0.33281(15) 0.3533(4) 0.33866(13) 0.0243(6) Uani 1 1 d . . .
H222 H 0.373745 0.402885 0.341444 0.029 Uiso 1 1 calc R U .
C223 C 0.29014(17) 0.3613(4) 0.28727(14) 0.0279(6) Uani 1 1 d . . .
H223 H 0.302682 0.416205 0.255571 0.033 Uiso 1 1 calc R U .
C224 C 0.22990(16) 0.2913(5) 0.28113(14) 0.0297(7) Uani 1 1 d . . .
C225 C 0.21375(16) 0.2095(6) 0.32848(15) 0.0353(8) Uani 1 1 d . . .
H225 H 0.172858 0.159498 0.325488 0.042 Uiso 1 1 calc R U .
C226 C 0.25617(16) 0.1995(5) 0.37999(14) 0.0300(8) Uani 1 1 d . . .
H226 H 0.244071 0.141694 0.411343 0.036 Uiso 1 1 calc R U .
C227 C 0.18333(18) 0.3086(5) 0.22579(16) 0.0369(8) Uani 1 1 d . . .
H22A H 0.164468 0.197843 0.214781 0.044 Uiso 1 1 calc R U .
H22B H 0.206809 0.344977 0.195453 0.044 Uiso 1 1 calc R U .
C228 C 0.13001(15) 0.4318(4) 0.22901(14) 0.0266(7) Uani 1 1 d . . .
H22C H 0.148681 0.540269 0.243243 0.032 Uiso 1 1 calc R U .
H22D H 0.103850 0.390281 0.256662 0.032 Uiso 1 1 calc R U .
C229 C 0.08731(14) 0.4582(6) 0.17124(13) 0.0296(6) Uani 1 1 d . . .
H22E H 0.113085 0.503156 0.143821 0.036 Uiso 1 1 calc R U .
H22F H 0.069447 0.349457 0.156432 0.036 Uiso 1 1 calc R U .
C202 C 0.0330(2) 0.5784(6) 0.1757(2) 0.0426(9) Uani 1 1 d . . .
H20D H 0.008351 0.598976 0.137554 0.064 Uiso 1 1 calc R U .
H20E H 0.050512 0.684097 0.192334 0.064 Uiso 1 1 calc R U .
H20F H 0.005187 0.529478 0.200126 0.064 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 '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'
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
O11 Eu1 O11 103.49(11) 2_656 .
O11 Eu1 O21 88.55(7) 2_656 2_656
O11 Eu1 O21 138.38(7) . 2_656
O11 Eu1 O21 138.38(7) 2_656 .
O11 Eu1 O21 88.55(7) . .
O21 Eu1 O21 108.64(11) 2_656 .
O11 Eu1 O12 72.14(7) 2_656 .
O11 Eu1 O12 69.63(7) . .
O21 Eu1 O12 150.42(7) 2_656 .
O21 Eu1 O12 75.35(7) . .
O11 Eu1 O12 69.63(7) 2_656 2_656
O11 Eu1 O12 72.15(7) . 2_656
O21 Eu1 O12 75.35(7) 2_656 2_656
O21 Eu1 O12 150.42(7) . 2_656
O12 Eu1 O12 116.17(11) . 2_656
O11 Eu1 O22 76.21(7) 2_656 2_656
O11 Eu1 O22 152.09(7) . 2_656
O21 Eu1 O22 69.28(7) 2_656 2_656
O21 Eu1 O22 75.28(7) . 2_656
O12 Eu1 O22 84.16(7) . 2_656
O12 Eu1 O22 130.75(7) 2_656 2_656
O11 Eu1 O22 152.09(7) 2_656 .
O11 Eu1 O22 76.20(7) . .
O21 Eu1 O22 75.28(7) 2_656 .
O21 Eu1 O22 69.29(7) . .
O12 Eu1 O22 130.75(7) . .
O12 Eu1 O22 84.15(7) 2_656 .
O22 Eu1 O22 117.19(11) 2_656 .
O11 Eu1 Cs1 128.26(5) 2_656 1_545
O11 Eu1 Cs1 128.25(5) . 1_545
O21 Eu1 Cs1 54.32(5) 2_656 1_545
O21 Eu1 Cs1 54.32(5) . 1_545
O12 Eu1 Cs1 121.92(6) . 1_545
O12 Eu1 Cs1 121.91(6) 2_656 1_545
O22 Eu1 Cs1 58.60(5) 2_656 1_545
O22 Eu1 Cs1 58.60(5) . 1_545
O11 Eu1 Cs1 51.74(5) 2_656 .
O11 Eu1 Cs1 51.75(5) . .
O21 Eu1 Cs1 125.68(5) 2_656 .
O21 Eu1 Cs1 125.68(5) . .
O12 Eu1 Cs1 58.08(6) . .
O12 Eu1 Cs1 58.09(6) 2_656 .
O22 Eu1 Cs1 121.40(5) 2_656 .
O22 Eu1 Cs1 121.40(5) . .
Cs1 Eu1 Cs1 180.0 1_545 .
O11 Cs1 O11 72.02(8) 2_656 .
O11 Cs1 O21 115.40(5) 2_656 2_666
O11 Cs1 O21 149.28(5) . 2_666
O11 Cs1 O21 149.28(5) 2_656 1_565
O11 Cs1 O21 115.40(5) . 1_565
O21 Cs1 O21 74.41(7) 2_666 1_565
O11 Cs1 O22 110.40(5) 2_656 2_666
O11 Cs1 O22 160.40(5) . 2_666
O21 Cs1 O22 48.58(5) 2_666 2_666
O21 Cs1 O22 52.47(5) 1_565 2_666
O11 Cs1 O22 160.40(5) 2_656 1_565
O11 Cs1 O22 110.40(5) . 1_565
O21 Cs1 O22 52.47(5) 2_666 1_565
O21 Cs1 O22 48.58(5) 1_565 1_565
O22 Cs1 O22 74.16(7) 2_666 1_565
O11 Cs1 O12 50.16(5) 2_656 .
O11 Cs1 O12 48.52(5) . .
O21 Cs1 O12 158.95(5) 2_666 .
O21 Cs1 O12 110.47(5) 1_565 .
O22 Cs1 O12 117.15(5) 2_666 .
O22 Cs1 O12 145.96(5) 1_565 .
O11 Cs1 O12 48.52(5) 2_656 2_656
O11 Cs1 O12 50.16(5) . 2_656
O21 Cs1 O12 110.47(5) 2_666 2_656
O21 Cs1 O12 158.95(5) 1_565 2_656
O22 Cs1 O12 145.96(5) 2_666 2_656
O22 Cs1 O12 117.15(5) 1_565 2_656
O12 Cs1 O12 72.71(7) . 2_656
O11 Cs1 C110 20.74(6) 2_656 2_656
O11 Cs1 C110 86.92(6) . 2_656
O21 Cs1 C110 95.17(6) 2_666 2_656
O21 Cs1 C110 152.07(6) 1_565 2_656
O22 Cs1 C110 101.12(6) 2_666 2_656
O22 Cs1 C110 141.48(6) 1_565 2_656
O12 Cs1 C110 70.84(6) . 2_656
O12 Cs1 C110 48.97(6) 2_656 2_656
O11 Cs1 C110 86.92(6) 2_656 .
O11 Cs1 C110 20.74(6) . .
O21 Cs1 C110 152.07(6) 2_666 .
O21 Cs1 C110 95.17(6) 1_565 .
O22 Cs1 C110 141.48(6) 2_666 .
O22 Cs1 C110 101.12(6) 1_565 .
O12 Cs1 C110 48.97(6) . .
O12 Cs1 C110 70.84(6) 2_656 .
C110 Cs1 C110 104.64(9) 2_656 .
O11 Cs1 C210 96.84(6) 2_656 2_666
O11 Cs1 C210 151.79(6) . 2_666
O21 Cs1 C210 19.31(5) 2_666 2_666
O21 Cs1 C210 87.64(6) 1_565 2_666
O22 Cs1 C210 47.64(6) 2_666 2_666
O22 Cs1 C210 71.78(6) 1_565 2_666
O12 Cs1 C210 140.65(6) . 2_666
O12 Cs1 C210 102.86(6) 2_656 2_666
C110 Cs1 C210 77.25(6) 2_656 2_666
C110 Cs1 C210 167.58(7) . 2_666
O11 Cs1 C210 151.79(6) 2_656 1_565
O11 Cs1 C210 96.84(6) . 1_565
O21 Cs1 C210 87.64(6) 2_666 1_565
O21 Cs1 C210 19.31(5) 1_565 1_565
O22 Cs1 C210 71.78(6) 2_666 1_565
O22 Cs1 C210 47.64(6) 1_565 1_565
O12 Cs1 C210 102.86(6) . 1_565
O12 Cs1 C210 140.65(6) 2_656 1_565
C110 Cs1 C210 167.58(7) 2_656 1_565
C110 Cs1 C210 77.25(6) . 1_565
C210 Cs1 C210 103.62(9) 2_666 1_565
C120 C11 C110 123.3(3) . .
C120 C11 Cs1 77.56(18) . .
C110 C11 Cs1 68.75(17) . .
C120 C11 H11 118.4 . .
C110 C11 H11 118.4 . .
Cs1 C11 H11 127.4 . .
C110 O11 Eu1 133.42(19) . .
C110 O11 Cs1 96.90(18) . .
Eu1 O11 Cs1 92.25(6) . .
C120 O12 Eu1 131.58(19) . .
C120 O12 Cs1 95.14(18) . .
Eu1 O12 Cs1 85.56(6) . .
O11 C110 C11 123.6(3) . .
O11 C110 C111 116.3(3) . .
C11 C110 C111 120.1(2) . .
O11 C110 Cs1 62.36(16) . .
C11 C110 Cs1 89.62(19) . .
C111 C110 Cs1 119.96(18) . .
C116 C111 C112 118.2(3) . .
C116 C111 C110 123.7(3) . .
C112 C111 C110 118.1(3) . .
C113 C112 C111 120.2(3) . .
C113 C112 H112 119.9 . .
C111 C112 H112 119.9 . .
C112 C113 C114 121.5(3) . .
C112 C113 H113 119.2 . .
C114 C113 H113 119.2 . .
C115 C114 C113 117.5(3) . .
C115 C114 C117 119.9(3) . .
C113 C114 C117 122.6(4) . .
C116 C115 C114 121.6(3) . .
C116 C115 H115 119.2 . .
C114 C115 H115 119.2 . .
C115 C116 C111 121.1(3) . .
C115 C116 H116 119.4 . .
C111 C116 H116 119.4 . .
C118 C117 C114 114.1(5) . .
C118 C117 H11A 108.7 . .
C114 C117 H11A 108.7 . .
C118 C117 H11B 108.7 . .
C114 C117 H11B 108.7 . .
H11A C117 H11B 107.6 . .
C117 C118 C119 115.6(5) . .
C117 C118 H11C 108.4 . .
C119 C118 H11C 108.4 . .
C117 C118 H11D 108.4 . .
C119 C118 H11D 108.4 . .
H11C C118 H11D 107.4 . .
C118 C119 C101 114.5(5) . .
C118 C119 H11E 108.6 . .
C101 C119 H11E 108.6 . .
C118 C119 H11F 108.6 . .
C101 C119 H11F 108.6 . .
H11E C119 H11F 107.6 . .
C119 C101 H10A 109.5 . .
C119 C101 H10B 109.5 . .
H10A C101 H10B 109.5 . .
C119 C101 H10C 109.5 . .
H10A C101 H10C 109.5 . .
H10B C101 H10C 109.5 . .
O12 C120 C11 124.7(3) . .
O12 C120 C121 116.1(3) . .
C11 C120 C121 119.1(3) . .
O12 C120 Cs1 65.24(16) . .
C11 C120 Cs1 81.15(18) . .
C121 C120 Cs1 130.03(18) . .
C122 C121 C126 118.4(3) . .
C122 C121 C120 117.9(3) . .
C126 C121 C120 123.7(3) . .
C121 C122 C123 121.2(3) . .
C121 C122 H122 119.4 . .
C123 C122 H122 119.4 . .
C122 C123 C124 120.5(3) . .
C122 C123 H123 119.7 . .
C124 C123 H123 119.7 . .
C125 C124 C123 117.9(3) . .
C125 C124 C127 120.8(3) . .
C123 C124 C127 121.2(3) . .
C124 C125 C126 121.7(3) . .
C124 C125 H125 119.2 . .
C126 C125 H125 119.2 . .
C125 C126 C121 120.2(3) . .
C125 C126 H126 119.9 . .
C121 C126 H126 119.9 . .
C124 C127 C128 111.5(3) . .
C124 C127 H12A 109.3 . .
C128 C127 H12A 109.3 . .
C124 C127 H12B 109.3 . .
C128 C127 H12B 109.3 . .
H12A C127 H12B 108.0 . .
C129 C128 C127 113.8(3) . .
C129 C128 H12C 108.8 . .
C127 C128 H12C 108.8 . .
C129 C128 H12D 108.8 . .
C127 C128 H12D 108.8 . .
H12C C128 H12D 107.7 . .
C102 C129 C128 113.4(3) . .
C102 C129 H12E 108.9 . .
C128 C129 H12E 108.9 . .
C102 C129 H12F 108.9 . .
C128 C129 H12F 108.9 . .
H12E C129 H12F 107.7 . .
C129 C102 H10D 109.5 . .
C129 C102 H10E 109.5 . .
H10D C102 H10E 109.5 . .
C129 C102 H10F 109.5 . .
H10D C102 H10F 109.5 . .
H10E C102 H10F 109.5 . .
C210 O21 Eu1 130.77(19) . .
C210 O21 Cs1 104.14(17) . 1_545
Eu1 O21 Cs1 88.47(6) . 1_545
C210 C21 C220 123.2(3) . .
C210 C21 H21 118.4 . .
C220 C21 H21 118.4 . .
C220 O22 Eu1 129.83(18) . .
C220 O22 Cs1 102.48(18) . 1_545
Eu1 O22 Cs1 84.32(6) . 1_545
O21 C210 C21 123.7(3) . .
O21 C210 C211 116.3(3) . .
C21 C210 C211 120.0(3) . .
O21 C210 Cs1 56.55(15) . 1_545
C21 C210 Cs1 91.48(19) . 1_545
C211 C210 Cs1 124.59(18) . 1_545
C216 C211 C212 117.7(3) . .
C216 C211 C210 124.4(3) . .
C212 C211 C210 117.9(3) . .
C213 C212 C211 121.2(3) . .
C213 C212 H212 119.4 . .
C211 C212 H212 119.4 . .
C212 C213 C214 121.3(3) . .
C212 C213 H213 119.4 . .
C214 C213 H213 119.4 . .
C215 C214 C213 117.3(3) . .
C215 C214 C217 121.9(3) . .
C213 C214 C217 120.7(3) . .
C214 C215 C216 121.9(3) . .
C214 C215 H215 119.0 . .
C216 C215 H215 119.0 . .
C215 C216 C211 120.5(3) . .
C215 C216 H216 119.8 . .
C211 C216 H216 119.8 . .
C214 C217 C218 114.8(3) . .
C214 C217 H21A 108.6 . .
C218 C217 H21A 108.6 . .
C214 C217 H21B 108.6 . .
C218 C217 H21B 108.6 . .
H21A C217 H21B 107.5 . .
C217 C218 C219 113.7(3) . .
C217 C218 H21C 108.8 . .
C219 C218 H21C 108.8 . .
C217 C218 H21D 108.8 . .
C219 C218 H21D 108.8 . .
H21C C218 H21D 107.7 . .
C201 C219 C218 112.6(3) . .
C201 C219 H21E 109.1 . .
C218 C219 H21E 109.1 . .
C201 C219 H21F 109.1 . .
C218 C219 H21F 109.1 . .
H21E C219 H21F 107.8 . .
C219 C201 H20A 109.5 . .
C219 C201 H20B 109.5 . .
H20A C201 H20B 109.5 . .
C219 C201 H20C 109.5 . .
H20A C201 H20C 109.5 . .
H20B C201 H20C 109.5 . .
O22 C220 C21 124.6(3) . .
O22 C220 C221 116.5(3) . .
C21 C220 C221 118.8(3) . .
O22 C220 Cs1 58.82(16) . 1_545
C21 C220 Cs1 85.91(18) . 1_545
C221 C220 Cs1 130.69(18) . 1_545
C222 C221 C226 117.9(3) . .
C222 C221 C220 118.2(3) . .
C226 C221 C220 123.9(3) . .
C223 C222 C221 120.8(3) . .
C223 C222 H222 119.6 . .
C221 C222 H222 119.6 . .
C224 C223 C222 121.7(3) . .
C224 C223 H223 119.1 . .
C222 C223 H223 119.1 . .
C223 C224 C225 117.3(3) . .
C223 C224 C227 120.8(3) . .
C225 C224 C227 121.9(3) . .
C226 C225 C224 121.5(3) . .
C226 C225 H225 119.2 . .
C224 C225 H225 119.2 . .
C225 C226 C221 120.7(3) . .
C225 C226 H226 119.7 . .
C221 C226 H226 119.7 . .
C224 C227 C228 113.6(3) . .
C224 C227 H22A 108.8 . .
C228 C227 H22A 108.8 . .
C224 C227 H22B 108.8 . .
C228 C227 H22B 108.8 . .
H22A C227 H22B 107.7 . .
C227 C228 C229 112.3(3) . .
C227 C228 H22C 109.1 . .
C229 C228 H22C 109.1 . .
C227 C228 H22D 109.1 . .
C229 C228 H22D 109.1 . .
H22C C228 H22D 107.9 . .
C202 C229 C228 111.5(3) . .
C202 C229 H22E 109.3 . .
C228 C229 H22E 109.3 . .
C202 C229 H22F 109.3 . .
C228 C229 H22F 109.3 . .
H22E C229 H22F 108.0 . .
C229 C202 H20D 109.5 . .
C229 C202 H20E 109.5 . .
H20D C202 H20E 109.5 . .
C229 C202 H20F 109.5 . .
H20D C202 H20F 109.5 . .
H20E C202 H20F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O11 2.377(2) 2_656
Eu1 O11 2.377(2) .
Eu1 O21 2.399(2) 2_656
Eu1 O21 2.399(2) .
Eu1 O12 2.402(2) .
Eu1 O12 2.402(2) 2_656
Eu1 O22 2.403(2) 2_656
Eu1 O22 2.404(2) .
Eu1 Cs1 3.9666(4) 1_545
Eu1 Cs1 4.0400(4) .
Cs1 O11 3.175(2) 2_656
Cs1 O11 3.175(2) .
Cs1 O21 3.223(2) 2_666
Cs1 O21 3.223(2) 1_565
Cs1 O22 3.402(2) 2_666
Cs1 O22 3.402(2) 1_565
Cs1 O12 3.440(2) .
Cs1 O12 3.440(2) 2_656
Cs1 C110 3.558(3) 2_656
Cs1 C110 3.558(3) .
Cs1 C210 3.746(3) 2_666
Cs1 C210 3.746(3) 1_565
C11 C120 1.402(4) .
C11 C110 1.407(4) .
C11 H11 0.9500 .
O11 C110 1.269(3) .
O12 C120 1.272(3) .
C110 C111 1.497(4) .
C111 C116 1.389(4) .
C111 C112 1.393(4) .
C112 C113 1.392(4) .
C112 H112 0.9500 .
C113 C114 1.395(5) .
C113 H113 0.9500 .
C114 C115 1.381(5) .
C114 C117 1.493(5) .
C115 C116 1.381(5) .
C115 H115 0.9500 .
C116 H116 0.9500 .
C117 C118 1.471(9) .
C117 H11A 0.9900 .
C117 H11B 0.9900 .
C118 C119 1.475(11) .
C118 H11C 0.9900 .
C118 H11D 0.9900 .
C119 C101 1.560(11) .
C119 H11E 0.9900 .
C119 H11F 0.9900 .
C101 H10A 0.9800 .
C101 H10B 0.9800 .
C101 H10C 0.9800 .
C120 C121 1.500(4) .
C121 C122 1.389(4) .
C121 C126 1.398(4) .
C122 C123 1.389(4) .
C122 H122 0.9500 .
C123 C124 1.402(5) .
C123 H123 0.9500 .
C124 C125 1.387(5) .
C124 C127 1.506(4) .
C125 C126 1.390(4) .
C125 H125 0.9500 .
C126 H126 0.9500 .
C127 C128 1.535(5) .
C127 H12A 0.9900 .
C127 H12B 0.9900 .
C128 C129 1.533(5) .
C128 H12C 0.9900 .
C128 H12D 0.9900 .
C129 C102 1.532(6) .
C129 H12E 0.9900 .
C129 H12F 0.9900 .
C102 H10D 0.9800 .
C102 H10E 0.9800 .
C102 H10F 0.9800 .
O21 C210 1.277(3) .
C21 C210 1.404(4) .
C21 C220 1.407(4) .
C21 H21 0.9500 .
O22 C220 1.274(3) .
C210 C211 1.499(4) .
C211 C216 1.396(4) .
C211 C212 1.400(4) .
C212 C213 1.382(4) .
C212 H212 0.9500 .
C213 C214 1.398(4) .
C213 H213 0.9500 .
C214 C215 1.386(4) .
C214 C217 1.512(4) .
C215 C216 1.392(4) .
C215 H215 0.9500 .
C216 H216 0.9500 .
C217 C218 1.520(5) .
C217 H21A 0.9900 .
C217 H21B 0.9900 .
C218 C219 1.521(5) .
C218 H21C 0.9900 .
C218 H21D 0.9900 .
C219 C201 1.519(5) .
C219 H21E 0.9900 .
C219 H21F 0.9900 .
C201 H20A 0.9800 .
C201 H20B 0.9800 .
C201 H20C 0.9800 .
C220 C221 1.499(4) .
C221 C222 1.392(4) .
C221 C226 1.395(4) .
C222 C223 1.392(4) .
C222 H222 0.9500 .
C223 C224 1.385(5) .
C223 H223 0.9500 .
C224 C225 1.396(5) .
C224 C227 1.510(5) .
C225 C226 1.392(5) .
C225 H225 0.9500 .
C226 H226 0.9500 .
C227 C228 1.516(5) .
C227 H22A 0.9900 .
C227 H22B 0.9900 .
C228 C229 1.525(4) .
C228 H22C 0.9900 .
C228 H22D 0.9900 .
C229 C202 1.523(6) .
C229 H22E 0.9900 .
C229 H22F 0.9900 .
C202 H20D 0.9800 .
C202 H20E 0.9800 .
C202 H20F 0.9800 .
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_4
Eu1 O11 C110 C11 30.6(5) . .
Cs1 O11 C110 C11 -69.1(3) . .
Eu1 O11 C110 C111 -148.6(2) . .
Cs1 O11 C110 C111 111.7(2) . .
Eu1 O11 C110 Cs1 99.7(2) . .
C120 C11 C110 O11 -2.0(5) . .
Cs1 C11 C110 O11 55.9(3) . .
C120 C11 C110 C111 177.1(3) . .
Cs1 C11 C110 C111 -125.0(3) . .
C120 C11 C110 Cs1 -57.9(3) . .
O11 C110 C111 C116 -173.9(3) . .
C11 C110 C111 C116 6.9(5) . .
Cs1 C110 C111 C116 -102.1(3) . .
O11 C110 C111 C112 8.0(4) . .
C11 C110 C111 C112 -171.2(3) . .
Cs1 C110 C111 C112 79.8(3) . .
C116 C111 C112 C113 -1.5(5) . .
C110 C111 C112 C113 176.7(3) . .
C111 C112 C113 C114 1.2(6) . .
C112 C113 C114 C115 -0.2(6) . .
C112 C113 C114 C117 178.5(4) . .
C113 C114 C115 C116 -0.6(6) . .
C117 C114 C115 C116 -179.3(4) . .
C114 C115 C116 C111 0.3(6) . .
C112 C111 C116 C115 0.7(6) . .
C110 C111 C116 C115 -177.3(4) . .
C115 C114 C117 C118 -129.3(5) . .
C113 C114 C117 C118 52.1(6) . .
C114 C117 C118 C119 56.3(6) . .
C117 C118 C119 C101 60.7(7) . .
Eu1 O12 C120 C11 -30.4(5) . .
Cs1 O12 C120 C11 58.3(3) . .
Eu1 O12 C120 C121 147.1(2) . .
Cs1 O12 C120 C121 -124.2(2) . .
Eu1 O12 C120 Cs1 -88.6(2) . .
C110 C11 C120 O12 2.5(6) . .
Cs1 C11 C120 O12 -51.4(3) . .
C110 C11 C120 C121 -174.9(3) . .
Cs1 C11 C120 C121 131.2(3) . .
C110 C11 C120 Cs1 54.0(3) . .
O12 C120 C121 C122 -19.8(4) . .
C11 C120 C121 C122 157.9(3) . .
Cs1 C120 C121 C122 -98.4(3) . .
O12 C120 C121 C126 163.1(3) . .
C11 C120 C121 C126 -19.2(5) . .
Cs1 C120 C121 C126 84.5(4) . .
C126 C121 C122 C123 2.2(5) . .
C120 C121 C122 C123 -175.0(3) . .
C121 C122 C123 C124 -0.4(5) . .
C122 C123 C124 C125 -1.9(5) . .
C122 C123 C124 C127 175.3(3) . .
C123 C124 C125 C126 2.4(5) . .
C127 C124 C125 C126 -174.8(3) . .
C124 C125 C126 C121 -0.6(5) . .
C122 C121 C126 C125 -1.7(5) . .
C120 C121 C126 C125 175.4(3) . .
C125 C124 C127 C128 88.4(4) . .
C123 C124 C127 C128 -88.7(4) . .
C124 C127 C128 C129 177.7(3) . .
C127 C128 C129 C102 62.2(4) . .
Eu1 O21 C210 C21 34.2(4) . .
Cs1 O21 C210 C21 -66.2(3) 1_545 .
Eu1 O21 C210 C211 -144.0(2) . .
Cs1 O21 C210 C211 115.6(2) 1_545 .
Eu1 O21 C210 Cs1 100.4(2) . 1_545
C220 C21 C210 O21 -1.6(5) . .
C220 C21 C210 C211 176.5(3) . .
C220 C21 C210 Cs1 -51.4(3) . 1_545
O21 C210 C211 C216 -167.9(3) . .
C21 C210 C211 C216 13.8(5) . .
Cs1 C210 C211 C216 -101.9(3) 1_545 .
O21 C210 C211 C212 14.5(4) . .
C21 C210 C211 C212 -163.7(3) . .
Cs1 C210 C211 C212 80.6(3) 1_545 .
C216 C211 C212 C213 -2.7(5) . .
C210 C211 C212 C213 175.0(3) . .
C211 C212 C213 C214 1.7(5) . .
C212 C213 C214 C215 1.2(5) . .
C212 C213 C214 C217 -178.3(3) . .
C213 C214 C215 C216 -3.1(6) . .
C217 C214 C215 C216 176.5(4) . .
C214 C215 C216 C211 2.1(6) . .
C212 C211 C216 C215 0.8(5) . .
C210 C211 C216 C215 -176.7(3) . .
C215 C214 C217 C218 118.7(4) . .
C213 C214 C217 C218 -61.7(5) . .
C214 C217 C218 C219 176.3(3) . .
C217 C218 C219 C201 -178.3(4) . .
Eu1 O22 C220 C21 -34.3(4) . .
Cs1 O22 C220 C21 58.7(3) 1_545 .
Eu1 O22 C220 C221 143.6(2) . .
Cs1 O22 C220 C221 -123.4(2) 1_545 .
Eu1 O22 C220 Cs1 -93.0(2) . 1_545
C210 C21 C220 O22 2.0(5) . .
C210 C21 C220 C221 -175.9(3) . .
C210 C21 C220 Cs1 49.1(3) . 1_545
O22 C220 C221 C222 -19.2(4) . .
C21 C220 C221 C222 158.9(3) . .
Cs1 C220 C221 C222 -89.7(3) 1_545 .
O22 C220 C221 C226 162.5(3) . .
C21 C220 C221 C226 -19.4(5) . .
Cs1 C220 C221 C226 92.0(4) 1_545 .
C226 C221 C222 C223 1.2(5) . .
C220 C221 C222 C223 -177.3(3) . .
C221 C222 C223 C224 0.2(5) . .
C222 C223 C224 C225 -1.0(5) . .
C222 C223 C224 C227 177.1(3) . .
C223 C224 C225 C226 0.5(6) . .
C227 C224 C225 C226 -177.6(4) . .
C224 C225 C226 C221 0.9(6) . .
C222 C221 C226 C225 -1.6(5) . .
C220 C221 C226 C225 176.7(3) . .
C223 C224 C227 C228 -105.9(4) . .
C225 C224 C227 C228 72.1(5) . .
C224 C227 C228 C229 174.9(3) . .
C227 C228 C229 C202 178.4(3) . .
