#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:08:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179314 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/11/4321176.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_4321176
loop_
_publ_author_name
'William J. Evans'
'Michael A. Greci'
'Joseph W. Ziller'
_publ_section_title
;
 Reactivity of "Eu(OiPr)2" with Phenols: Formation of Linear Eu3, Square
 Pyramidal Eu5, Cubic Eu8, and Capped Cubic Eu9 Polymetallic Europium
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3213
_journal_page_last               3220
_journal_paper_doi               10.1021/ic9909532
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C124 H168 Eu8 O26'
_chemical_formula_weight         3290.26
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.8630(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.4628(7)
_cell_length_b                   16.0409(7)
_cell_length_c                   26.0241(12)
_cell_measurement_temperature    158(2)
_cell_volume                     6359.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      158(2)
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.937
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0481
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            39186
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    3.949
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3248
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.357
_refine_diff_density_min         -1.212
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         14894
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0527
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0162P)²+53.0111P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.1023
_reflns_number_gt                11629
_reflns_number_total             14894
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9909532_4.cif
_cod_data_source_block           mg42
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4321176
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.12483(2) 0.05991(2) 0.431510(12) 0.02171(8) Uani 1 1 d . . .
Eu2 Eu -0.10967(2) 0.05323(2) 0.390151(13) 0.02290(8) Uani 1 1 d . . .
Eu3 Eu 0.10788(2) 0.16002(2) 0.554899(13) 0.02124(8) Uani 1 1 d . . .
Eu4 Eu 0.13465(2) -0.15090(2) 0.485190(13) 0.02134(8) Uani 1 1 d . . .
O1 O 0.0167(3) -0.0532(3) 0.42759(19) 0.0287(11) Uani 1 1 d . . .
O2 O 0.1527(3) 0.0075(3) 0.52146(18) 0.0255(10) Uani 1 1 d . . .
O3 O 0.0008(3) 0.1218(3) 0.46696(19) 0.0316(11) Uani 1 1 d . . .
O4 O -0.2036(4) 0.1599(4) 0.4206(2) 0.0446(14) Uani 1 1 d . . .
O5 O 0.2008(3) -0.0646(3) 0.4190(2) 0.0336(12) Uani 1 1 d . . .
O6 O 0.1956(3) 0.1721(3) 0.47871(19) 0.0297(11) Uani 1 1 d . . .
O7 O -0.1654(3) -0.0861(3) 0.36271(18) 0.0305(11) Uani 1 1 d . . .
O8 O 0.0230(3) -0.2500(3) 0.4399(2) 0.0365(12) Uani 1 1 d . . .
O9 O 0.0252(3) 0.0953(3) 0.35993(18) 0.0299(11) Uani 1 1 d . . .
O10 O 0.1924(4) 0.2971(3) 0.5901(2) 0.0460(15) Uani 1 1 d . . .
O11 O 0.2527(4) -0.2621(4) 0.4698(2) 0.0466(15) Uani 1 1 d . . .
O12 O -0.1767(4) 0.1139(4) 0.2990(2) 0.0412(13) Uani 1 1 d . A .
O13 O 0.2276(4) 0.1038(4) 0.3710(2) 0.0478(15) Uani 1 1 d . . .
C1 C -0.2563(5) 0.2120(5) 0.3912(3) 0.0337(17) Uani 1 1 d . . .
C2 C -0.3463(6) 0.1949(6) 0.3787(4) 0.051(2) Uani 1 1 d . . .
C3 C -0.4012(7) 0.2544(11) 0.3493(4) 0.090(5) Uani 1 1 d . . .
H3A H -0.4627 0.2448 0.3415 0.108 Uiso 1 1 calc R . .
C4 C -0.3667(13) 0.3266(10) 0.3318(6) 0.110(6) Uani 1 1 d . . .
H4A H -0.4044 0.3667 0.3127 0.132 Uiso 1 1 calc R . .
C5 C -0.2816(11) 0.3392(7) 0.3419(4) 0.084(4) Uani 1 1 d . . .
H5A H -0.2586 0.3881 0.3288 0.101 Uiso 1 1 calc R . .
C6 C -0.2243(7) 0.2844(5) 0.3708(3) 0.050(2) Uani 1 1 d . . .
C7 C -0.3845(9) 0.1144(10) 0.3941(5) 0.101(5) Uani 1 1 d . . .
H7A H -0.3379 0.0804 0.4141 0.151 Uiso 1 1 calc R . .
H7B H -0.4111 0.0840 0.3626 0.151 Uiso 1 1 calc R . .
H7C H -0.4295 0.1263 0.4154 0.151 Uiso 1 1 calc R . .
C8 C -0.1281(8) 0.2997(9) 0.3792(4) 0.092(5) Uani 1 1 d . . .
H8A H -0.1163 0.3524 0.3627 0.138 Uiso 1 1 calc R . .
H8B H -0.0990 0.2540 0.3639 0.138 Uiso 1 1 calc R . .
H8C H -0.1054 0.3027 0.4167 0.138 Uiso 1 1 calc R . .
C9 C 0.2644(5) -0.0760(4) 0.3899(3) 0.0310(16) Uani 1 1 d . . .
C10 C 0.3542(5) -0.0758(5) 0.4155(3) 0.042(2) Uani 1 1 d . . .
C11 C 0.4182(7) -0.0819(8) 0.3847(5) 0.072(3) Uani 1 1 d . . .
H11A H 0.4781 -0.0798 0.4008 0.087 Uiso 1 1 calc R . .
C12 C 0.3987(7) -0.0908(9) 0.3324(5) 0.082(4) Uani 1 1 d . . .
H12A H 0.4446 -0.0968 0.3126 0.099 Uiso 1 1 calc R . .
C13 C 0.3115(8) -0.0912(7) 0.3072(4) 0.066(3) Uani 1 1 d . . .
H13A H 0.2979 -0.0963 0.2704 0.080 Uiso 1 1 calc R . .
C14 C 0.2443(6) -0.0840(5) 0.3365(4) 0.044(2) Uani 1 1 d . . .
C15 C 0.3748(6) -0.0706(6) 0.4739(4) 0.055(2) Uani 1 1 d . . .
H15A H 0.4386 -0.0708 0.4853 0.082 Uiso 1 1 calc R . .
H15B H 0.3491 -0.1186 0.4891 0.082 Uiso 1 1 calc R . .
H15C H 0.3502 -0.0190 0.4856 0.082 Uiso 1 1 calc R . .
C16 C 0.1501(7) -0.0839(6) 0.3094(4) 0.056(3) Uani 1 1 d . . .
H16A H 0.1115 -0.0784 0.3354 0.085 Uiso 1 1 calc R . .
H16B H 0.1372 -0.1364 0.2903 0.085 Uiso 1 1 calc R . .
H16C H 0.1404 -0.0371 0.2850 0.085 Uiso 1 1 calc R . .
C17 C 0.2397(5) 0.2362(4) 0.4630(3) 0.0279(15) Uani 1 1 d . . .
C18 C 0.3317(6) 0.2382(5) 0.4731(3) 0.044(2) Uani 1 1 d . . .
C19 C 0.3760(6) 0.3075(6) 0.4565(5) 0.063(3) Uani 1 1 d . . .
H19A H 0.4384 0.3085 0.4635 0.075 Uiso 1 1 calc R . .
C20 C 0.3317(7) 0.3736(6) 0.4305(4) 0.054(2) Uani 1 1 d . . .
H20A H 0.3624 0.4203 0.4201 0.065 Uiso 1 1 calc R . .
C21 C 0.2412(6) 0.3701(5) 0.4200(3) 0.045(2) Uani 1 1 d . . .
H21A H 0.2096 0.4152 0.4022 0.054 Uiso 1 1 calc R . .
C22 C 0.1953(5) 0.3028(4) 0.4347(3) 0.0318(16) Uani 1 1 d . . .
C23 C 0.3824(6) 0.1647(7) 0.4992(5) 0.077(4) Uani 1 1 d . . .
H23A H 0.3413 0.1225 0.5078 0.116 Uiso 1 1 calc R . .
H23B H 0.4203 0.1833 0.5313 0.116 Uiso 1 1 calc R . .
H23C H 0.4186 0.1405 0.4756 0.116 Uiso 1 1 calc R . .
C24 C 0.0962(6) 0.2985(5) 0.4197(4) 0.050(2) Uani 1 1 d . . .
H24A H 0.0746 0.3489 0.4004 0.074 Uiso 1 1 calc R . .
H24B H 0.0699 0.2943 0.4513 0.074 Uiso 1 1 calc R . .
H24C H 0.0800 0.2494 0.3977 0.074 Uiso 1 1 calc R . .
C25 C -0.2188(5) -0.0996(4) 0.3175(3) 0.0316(16) Uani 1 1 d . . .
C26 C -0.3086(5) -0.1176(5) 0.3171(3) 0.044(2) Uani 1 1 d . . .
C27 C -0.3643(7) -0.1308(7) 0.2698(4) 0.070(3) Uani 1 1 d . . .
H27A H -0.4243 -0.1437 0.2698 0.084 Uiso 1 1 calc R . .
C28 C -0.3349(9) -0.1255(7) 0.2234(4) 0.083(4) Uani 1 1 d . . .
H28A H -0.3740 -0.1334 0.1915 0.100 Uiso 1 1 calc R . .
C29 C -0.2475(8) -0.1085(6) 0.2237(3) 0.062(3) Uani 1 1 d . . .
H29A H -0.2269 -0.1065 0.1914 0.074 Uiso 1 1 calc R . .
C30 C -0.1886(6) -0.0943(5) 0.2693(3) 0.042(2) Uani 1 1 d . . .
C31 C -0.3404(6) -0.1233(7) 0.3684(4) 0.057(3) Uani 1 1 d . . .
H31A H -0.4033 -0.1358 0.3622 0.086 Uiso 1 1 calc R . .
H31B H -0.3300 -0.0701 0.3869 0.086 Uiso 1 1 calc R . .
H31C H -0.3085 -0.1677 0.3895 0.086 Uiso 1 1 calc R . .
C32 C -0.0955(7) -0.0723(6) 0.2671(4) 0.055(3) Uani 1 1 d . . .
H32A H -0.0867 -0.0716 0.2307 0.082 Uiso 1 1 calc R . .
H32B H -0.0564 -0.1137 0.2867 0.082 Uiso 1 1 calc R . .
H32C H -0.0823 -0.0171 0.2826 0.082 Uiso 1 1 calc R . .
C33 C 0.0244(5) -0.3235(4) 0.4156(3) 0.0295(16) Uani 1 1 d . . .
C34 C 0.0510(5) -0.3970(5) 0.4439(3) 0.0354(17) Uani 1 1 d . . .
C35 C 0.0502(5) -0.4731(5) 0.4179(3) 0.0405(19) Uani 1 1 d . . .
H35A H 0.0673 -0.5223 0.4374 0.049 Uiso 1 1 calc R . .
C36 C 0.0255(6) -0.4784(5) 0.3652(3) 0.043(2) Uani 1 1 d . . .
H36A H 0.0260 -0.5306 0.3481 0.051 Uiso 1 1 calc R . .
C37 C -0.0005(6) -0.4068(5) 0.3367(3) 0.0398(19) Uani 1 1 d . . .
H37A H -0.0177 -0.4104 0.2999 0.048 Uiso 1 1 calc R . .
C38 C -0.0017(5) -0.3299(4) 0.3611(3) 0.0307(16) Uani 1 1 d . . .
C39 C 0.0805(6) -0.3928(6) 0.5024(3) 0.050(2) Uani 1 1 d . . .
H39A H 0.0963 -0.4488 0.5159 0.075 Uiso 1 1 calc R . .
H39B H 0.0326 -0.3709 0.5188 0.075 Uiso 1 1 calc R . .
H39C H 0.1316 -0.3560 0.5104 0.075 Uiso 1 1 calc R . .
C40 C -0.0285(6) -0.2532(6) 0.3295(4) 0.049(2) Uani 1 1 d . . .
H40A H -0.0452 -0.2685 0.2927 0.073 Uiso 1 1 calc R . .
H40B H 0.0207 -0.2139 0.3334 0.073 Uiso 1 1 calc R . .
H40C H -0.0786 -0.2271 0.3417 0.073 Uiso 1 1 calc R . .
C41 C 0.1964(8) 0.3705(6) 0.5606(4) 0.064(3) Uani 1 1 d . . .
H41A H 0.1428 0.3752 0.5337 0.077 Uiso 1 1 calc R . .
H41B H 0.2478 0.3682 0.5426 0.077 Uiso 1 1 calc R . .
C42 C 0.2034(9) 0.4428(6) 0.5952(4) 0.074(3) Uani 1 1 d . . .
H42A H 0.1456 0.4700 0.5940 0.089 Uiso 1 1 calc R . .
H42B H 0.2455 0.4841 0.5857 0.089 Uiso 1 1 calc R . .
C43 C 0.2373(7) 0.4049(7) 0.6504(4) 0.062(3) Uani 1 1 d . . .
H43A H 0.2938 0.4305 0.6663 0.075 Uiso 1 1 calc R . .
H43B H 0.1940 0.4138 0.6739 0.075 Uiso 1 1 calc R . .
C44 C 0.2481(8) 0.3173(7) 0.6410(4) 0.070(3) Uani 1 1 d . . .
H44A H 0.2297 0.2838 0.6692 0.084 Uiso 1 1 calc R . .
H44B H 0.3104 0.3047 0.6398 0.084 Uiso 1 1 calc R . .
C45 C 0.2550(6) -0.2882(6) 0.4172(3) 0.046(2) Uani 1 1 d . . .
H45A H 0.2998 -0.2562 0.4025 0.056 Uiso 1 1 calc R . .
H45B H 0.1972 -0.2793 0.3948 0.056 Uiso 1 1 calc R . .
C46 C 0.2781(7) -0.3804(6) 0.4202(4) 0.054(2) Uani 1 1 d . . .
H46A H 0.2253 -0.4150 0.4089 0.065 Uiso 1 1 calc R . .
H46B H 0.3222 -0.3935 0.3979 0.065 Uiso 1 1 calc R . .
C47 C 0.3151(9) -0.3954(7) 0.4769(4) 0.077(4) Uani 1 1 d . . .
H47A H 0.2762 -0.4327 0.4930 0.092 Uiso 1 1 calc R . .
H47B H 0.3742 -0.4209 0.4808 0.092 Uiso 1 1 calc R . .
C48 C 0.3198(7) -0.3104(7) 0.5017(4) 0.068(3) Uani 1 1 d . . .
H48A H 0.3084 -0.3139 0.5380 0.082 Uiso 1 1 calc R . .
H48B H 0.3783 -0.2850 0.5022 0.082 Uiso 1 1 calc R . .
C49 C -0.2674(4) 0.1078(4) 0.2734(2) 0.044(2) Uani 1 1 d . . .
H49A H -0.3036 0.1521 0.2856 0.053 Uiso 0.75 1 calc PR A 1
H49B H -0.2926 0.0528 0.2798 0.053 Uiso 0.75 1 calc PR A 1
H49C H -0.3076 0.1129 0.2990 0.053 Uiso 0.25 1 d PR A 2
H49D H -0.2784 0.0537 0.2551 0.053 Uiso 0.25 1 d PR A 2
C50 C -0.2622(4) 0.1189(4) 0.2157(2) 0.058(3) Uiso 0.75 1 d PR A 1
H50A H -0.3186 0.1386 0.1954 0.070 Uiso 0.75 1 d PR A 1
H50B H -0.2442 0.0668 0.2001 0.070 Uiso 0.75 1 d PR A 1
C50' C -0.2804(4) 0.1766(4) 0.2363(2) 0.041(8) Uiso 0.25 1 d PR A 2
H50C H -0.2977 0.2281 0.2529 0.049 Uiso 0.25 1 d PR A 2
H50D H -0.3259 0.1628 0.2059 0.049 Uiso 0.25 1 d PR A 2
C51 C -0.1898(4) 0.1869(4) 0.2199(2) 0.106(6) Uani 1 1 d R . .
H51A H -0.1603 0.1863 0.1890 0.127 Uiso 0.75 1 d PR A 1
H51B H -0.2143 0.2431 0.2237 0.127 Uiso 0.75 1 d PR A 1
H51C H -0.1839 0.1501 0.1901 0.127 Uiso 0.25 1 d PR A 2
H51D H -0.1796 0.2454 0.2103 0.127 Uiso 0.25 1 d PR A 2
C52 C -0.1313(7) 0.1630(7) 0.2657(4) 0.062(3) Uani 1 1 d . A .
H52A H -0.1064 0.2134 0.2846 0.075 Uiso 1 1 calc R . .
H52B H -0.0823 0.1302 0.2560 0.075 Uiso 1 1 calc R . .
C53 C 0.2544(9) 0.1638(7) 0.3397(5) 0.076(3) Uani 1 1 d . . .
H53A H 0.2459 0.2190 0.3560 0.091 Uiso 1 1 calc R . .
C54 C 0.3464(9) 0.1580(10) 0.3348(6) 0.112(6) Uani 1 1 d . . .
H54A H 0.3828 0.1588 0.3696 0.169 Uiso 1 1 calc R . .
H54B H 0.3620 0.2054 0.3144 0.169 Uiso 1 1 calc R . .
H54C H 0.3565 0.1059 0.3171 0.169 Uiso 1 1 calc R . .
C55 C 0.2001(12) 0.1633(10) 0.2888(5) 0.137(8) Uani 1 1 d . . .
H55A H 0.1382 0.1675 0.2926 0.206 Uiso 1 1 calc R . .
H55B H 0.2095 0.1114 0.2708 0.206 Uiso 1 1 calc R . .
H55C H 0.2155 0.2108 0.2685 0.206 Uiso 1 1 calc R . .
C56 C -0.5043(7) 0.1114(8) 0.1799(3) 0.150(7) Uiso 1 1 d G . .
C57 C -0.5019(7) 0.1755(6) 0.1442(5) 0.110(5) Uiso 1 1 d G . .
H57A H -0.4919 0.2312 0.1560 0.132 Uiso 1 1 calc R . .
C58 C -0.5141(7) 0.1579(7) 0.0911(4) 0.114(5) Uiso 1 1 d G . .
H58A H -0.5125 0.2016 0.0667 0.137 Uiso 1 1 calc R . .
C59 C -0.5287(8) 0.0763(8) 0.0738(4) 0.158(8) Uiso 1 1 d G . .
H59A H -0.5371 0.0643 0.0375 0.190 Uiso 1 1 calc R . .
C60 C -0.5312(8) 0.0123(6) 0.1095(5) 0.140(7) Uiso 1 1 d G . .
H60A H -0.5412 -0.0435 0.0977 0.168 Uiso 1 1 calc R . .
C61 C -0.5190(7) 0.0299(7) 0.1626(5) 0.120(6) Uiso 1 1 d G . .
H61A H -0.5206 -0.0139 0.1870 0.144 Uiso 1 1 calc R . .
C62 C -0.4971(14) 0.1190(14) 0.2314(8) 0.168(8) Uiso 1 1 d . . .
H62A H -0.4870 0.1776 0.2413 0.252 Uiso 1 1 calc R . .
H62B H -0.4476 0.0853 0.2486 0.252 Uiso 1 1 calc R . .
H62C H -0.5513 0.0997 0.2423 0.252 Uiso 1 1 calc R . .
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'
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
_geom_angle_publ_flag
O9 Eu1 O6 115.32(17) . . ?
O9 Eu1 O5 112.30(18) . . ?
O6 Eu1 O5 121.48(18) . . ?
O9 Eu1 O2 148.11(16) . . ?
O6 Eu1 O2 76.89(16) . . ?
O5 Eu1 O2 80.37(16) . . ?
O9 Eu1 O1 77.86(16) . . ?
O6 Eu1 O1 147.42(17) . . ?
O5 Eu1 O1 73.84(17) . . ?
O2 Eu1 O1 78.09(16) . . ?
O9 Eu1 O3 75.28(17) . . ?
O6 Eu1 O3 79.54(16) . . ?
O5 Eu1 O3 145.54(17) . . ?
O2 Eu1 O3 78.60(16) . . ?
O1 Eu1 O3 75.32(16) . . ?
O9 Eu1 O13 80.22(19) . . ?
O6 Eu1 O13 79.93(18) . . ?
O5 Eu1 O13 76.62(19) . . ?
O2 Eu1 O13 131.66(19) . . ?
O1 Eu1 O13 132.63(18) . . ?
O3 Eu1 O13 137.10(19) . . ?
O9 Eu1 Eu2 42.05(12) . . ?
O6 Eu1 Eu2 122.38(12) . . ?
O5 Eu1 Eu2 115.56(13) . . ?
O2 Eu1 Eu2 106.13(11) . . ?
O1 Eu1 Eu2 47.39(11) . . ?
O3 Eu1 Eu2 47.05(11) . . ?
O13 Eu1 Eu2 122.11(15) . . ?
O9 Eu1 Eu3 118.11(12) . . ?
O6 Eu1 Eu3 45.25(12) . . ?
O5 Eu1 Eu3 127.32(12) . . ?
O2 Eu1 Eu3 48.48(10) . . ?
O1 Eu1 Eu3 102.19(12) . . ?
O3 Eu1 Eu3 46.87(11) . . ?
O13 Eu1 Eu3 125.18(13) . . ?
Eu2 Eu1 Eu3 93.199(11) . . ?
O9 Eu1 Eu4 121.44(13) . . ?
O6 Eu1 Eu4 121.73(12) . . ?
O5 Eu1 Eu4 44.17(12) . . ?
O2 Eu1 Eu4 47.87(10) . . ?
O1 Eu1 Eu4 46.82(10) . . ?
O3 Eu1 Eu4 102.30(12) . . ?
O13 Eu1 Eu4 120.53(15) . . ?
Eu2 Eu1 Eu4 93.471(11) . . ?
Eu3 Eu1 Eu4 94.337(11) . . ?
O9 Eu2 O7 115.66(17) . . ?
O9 Eu2 O4 119.63(19) . . ?
O7 Eu2 O4 121.94(19) . . ?
O9 Eu2 O12 80.38(17) . . ?
O7 Eu2 O12 90.56(17) . . ?
O4 Eu2 O12 82.49(17) . . ?
O9 Eu2 O3 69.60(15) . . ?
O7 Eu2 O3 138.52(16) . . ?
O4 Eu2 O3 78.89(17) . . ?
O12 Eu2 O3 129.70(18) . . ?
O9 Eu2 O1 71.36(15) . . ?
O7 Eu2 O1 73.78(15) . . ?
O4 Eu2 O1 140.13(16) . . ?
O12 Eu2 O1 136.66(16) . . ?
O3 Eu2 O1 69.46(15) . . ?
O9 Eu2 O2 136.50(15) . 3_556 ?
O7 Eu2 O2 78.05(15) . 3_556 ?
O4 Eu2 O2 74.33(16) . 3_556 ?
O12 Eu2 O2 142.78(16) . 3_556 ?
O3 Eu2 O2 74.05(15) . 3_556 ?
O1 Eu2 O2 74.13(14) . 3_556 ?
O9 Eu2 Eu1 38.56(11) . . ?
O7 Eu2 Eu1 113.50(12) . . ?
O4 Eu2 Eu1 120.14(14) . . ?
O12 Eu2 Eu1 118.91(13) . . ?
O3 Eu2 Eu1 43.36(10) . . ?
O1 Eu2 Eu1 43.01(10) . . ?
O2 Eu2 Eu1 97.99(10) 3_556 . ?
O9 Eu2 Eu4 112.95(12) . 3_556 ?
O7 Eu2 Eu4 123.96(12) . 3_556 ?
O4 Eu2 Eu4 42.58(12) . 3_556 ?
O12 Eu2 Eu4 123.86(12) . 3_556 ?
O3 Eu2 Eu4 46.12(10) . 3_556 ?
O1 Eu2 Eu4 97.60(11) . 3_556 ?
O2 Eu2 Eu4 47.21(10) 3_556 3_556 ?
Eu1 Eu2 Eu4 88.639(11) . 3_556 ?
O9 Eu2 Eu3 115.34(11) . 3_556 ?
O7 Eu2 Eu3 41.55(11) . 3_556 ?
O4 Eu2 Eu3 118.89(14) . 3_556 ?
O12 Eu2 Eu3 132.11(13) . 3_556 ?
O3 Eu2 Eu3 97.56(12) . 3_556 ?
O1 Eu2 Eu3 46.17(10) . 3_556 ?
O2 Eu2 Eu3 47.23(9) 3_556 3_556 ?
Eu1 Eu2 Eu3 88.370(10) . 3_556 ?
Eu4 Eu2 Eu3 92.738(11) 3_556 3_556 ?
O7 Eu3 O8 113.69(17) 3_556 3_556 ?
O7 Eu3 O6 122.68(16) 3_556 . ?
O8 Eu3 O6 122.05(17) 3_556 . ?
O7 Eu3 O10 90.89(17) 3_556 . ?
O8 Eu3 O10 81.84(18) 3_556 . ?
O6 Eu3 O10 84.85(16) . . ?
O7 Eu3 O3 135.50(16) 3_556 . ?
O8 Eu3 O3 77.87(16) 3_556 . ?
O6 Eu3 O3 71.88(15) . . ?
O10 Eu3 O3 133.59(17) . . ?
O7 Eu3 O1 73.03(15) 3_556 3_556 ?
O8 Eu3 O1 75.41(15) 3_556 3_556 ?
O6 Eu3 O1 131.63(15) . 3_556 ?
O10 Eu3 O1 143.36(17) . 3_556 ?
O3 Eu3 O1 68.79(15) . 3_556 ?
O7 Eu3 O2 76.91(15) 3_556 . ?
O8 Eu3 O2 141.75(15) 3_556 . ?
O6 Eu3 O2 68.19(14) . . ?
O10 Eu3 O2 136.10(17) . . ?
O3 Eu3 O2 70.89(14) . . ?
O1 Eu3 O2 73.10(14) 3_556 . ?
O7 Eu3 Eu1 118.87(11) 3_556 . ?
O8 Eu3 Eu1 118.84(12) 3_556 . ?
O6 Eu3 Eu1 39.88(11) . . ?
O10 Eu3 Eu1 124.56(12) . . ?
O3 Eu3 Eu1 42.82(10) . . ?
O1 Eu3 Eu1 91.75(11) 3_556 . ?
O2 Eu3 Eu1 42.41(9) . . ?
O7 Eu3 Eu2 41.11(11) 3_556 3_556 ?
O8 Eu3 Eu2 117.59(13) 3_556 3_556 ?
O6 Eu3 Eu2 113.18(10) . 3_556 ?
O10 Eu3 Eu2 131.62(13) . 3_556 ?
O3 Eu3 Eu2 94.69(11) . 3_556 ?
O1 Eu3 Eu2 45.65(10) 3_556 3_556 ?
O2 Eu3 Eu2 46.30(9) . 3_556 ?
Eu1 Eu3 Eu2 86.347(10) . 3_556 ?
O7 Eu3 Eu4 114.77(12) 3_556 3_556 ?
O8 Eu3 Eu4 41.73(11) 3_556 3_556 ?
O6 Eu3 Eu4 115.00(11) . 3_556 ?
O10 Eu3 Eu4 123.06(14) . 3_556 ?
O3 Eu3 Eu4 45.54(10) . 3_556 ?
O1 Eu3 Eu4 45.70(10) 3_556 3_556 ?
O2 Eu3 Eu4 100.04(10) . 3_556 ?
Eu1 Eu3 Eu4 87.519(10) . 3_556 ?
Eu2 Eu3 Eu4 90.716(10) 3_556 3_556 ?
O8 Eu4 O4 124.8(2) . 3_556 ?
O8 Eu4 O5 110.57(18) . . ?
O4 Eu4 O5 122.60(19) 3_556 . ?
O8 Eu4 O11 86.40(18) . . ?
O4 Eu4 O11 85.42(18) 3_556 . ?
O5 Eu4 O11 84.04(18) . . ?
O8 Eu4 O3 78.22(16) . 3_556 ?
O4 Eu4 O3 77.80(17) 3_556 3_556 ?
O5 Eu4 O3 131.31(16) . 3_556 ?
O11 Eu4 O3 144.49(18) . 3_556 ?
O8 Eu4 O1 75.93(16) . . ?
O4 Eu4 O1 136.10(16) 3_556 . ?
O5 Eu4 O1 67.46(15) . . ?
O11 Eu4 O1 137.65(17) . . ?
O3 Eu4 O1 68.98(15) 3_556 . ?
O8 Eu4 O2 141.78(15) . . ?
O4 Eu4 O2 73.25(17) 3_556 . ?
O5 Eu4 O2 72.43(15) . . ?
O11 Eu4 O2 131.05(17) . . ?
O3 Eu4 O2 73.37(15) 3_556 . ?
O1 Eu4 O2 70.35(14) . . ?
O8 Eu4 Eu1 115.48(13) . . ?
O4 Eu4 Eu1 114.24(14) 3_556 . ?
O5 Eu4 Eu1 40.21(11) . . ?
O11 Eu4 Eu1 123.65(14) . . ?
O3 Eu4 Eu1 91.84(11) 3_556 . ?
O1 Eu4 Eu1 42.29(10) . . ?
O2 Eu4 Eu1 42.24(9) . . ?
O8 Eu4 Eu2 121.34(12) . 3_556 ?
O4 Eu4 Eu2 41.70(12) 3_556 3_556 ?
O5 Eu4 Eu2 118.57(11) . 3_556 ?
O11 Eu4 Eu2 127.08(13) . 3_556 ?
O3 Eu4 Eu2 45.71(10) 3_556 3_556 ?
O1 Eu4 Eu2 94.61(11) . 3_556 ?
O2 Eu4 Eu2 46.67(10) . 3_556 ?
Eu1 Eu4 Eu2 86.517(10) . 3_556 ?
O8 Eu4 Eu3 42.12(11) . 3_556 ?
O4 Eu4 Eu3 120.79(14) 3_556 3_556 ?
O5 Eu4 Eu3 109.45(12) . 3_556 ?
O11 Eu4 Eu3 128.52(13) . 3_556 ?
O3 Eu4 Eu3 45.57(10) 3_556 3_556 ?
O1 Eu4 Eu3 45.96(10) . 3_556 ?
O2 Eu4 Eu3 99.97(10) . 3_556 ?
Eu1 Eu4 Eu3 87.433(10) . 3_556 ?
Eu2 Eu4 Eu3 90.627(10) 3_556 3_556 ?
Eu1 O1 Eu2 89.61(14) . . ?
Eu1 O1 Eu4 90.89(15) . . ?
Eu2 O1 Eu4 167.5(2) . . ?
Eu1 O1 Eu3 166.1(2) . 3_556 ?
Eu2 O1 Eu3 88.17(14) . 3_556 ?
Eu4 O1 Eu3 88.34(13) . 3_556 ?
Eu1 O2 Eu2 155.9(2) . 3_556 ?
Eu1 O2 Eu4 89.90(14) . . ?
Eu2 O2 Eu4 86.12(13) 3_556 . ?
Eu1 O2 Eu3 89.11(14) . . ?
Eu2 O2 Eu3 86.47(13) 3_556 . ?
Eu4 O2 Eu3 159.53(19) . . ?
Eu1 O3 Eu2 89.59(15) . . ?
Eu1 O3 Eu4 165.8(2) . 3_556 ?
Eu2 O3 Eu4 88.17(14) . 3_556 ?
Eu1 O3 Eu3 90.31(15) . . ?
Eu2 O3 Eu3 167.6(2) . . ?
Eu4 O3 Eu3 88.89(14) 3_556 . ?
C1 O4 Eu2 126.4(5) . . ?
C1 O4 Eu4 136.3(5) . 3_556 ?
Eu2 O4 Eu4 95.72(17) . 3_556 ?
C9 O5 Eu1 128.1(4) . . ?
C9 O5 Eu4 135.9(4) . . ?
Eu1 O5 Eu4 95.63(16) . . ?
C17 O6 Eu1 130.4(4) . . ?
C17 O6 Eu3 130.7(4) . . ?
Eu1 O6 Eu3 94.86(16) . . ?
C25 O7 Eu2 122.5(4) . . ?
C25 O7 Eu3 139.5(4) . 3_556 ?
Eu2 O7 Eu3 97.35(16) . 3_556 ?
C33 O8 Eu4 136.1(4) . . ?
C33 O8 Eu3 127.6(4) . 3_556 ?
Eu4 O8 Eu3 96.15(16) . 3_556 ?
Eu1 O9 Eu2 99.38(17) . . ?
C41 O10 C44 103.4(7) . . ?
C41 O10 Eu3 124.7(6) . . ?
C44 O10 Eu3 131.8(5) . . ?
C45 O11 C48 105.1(6) . . ?
C45 O11 Eu4 118.3(5) . . ?
C48 O11 Eu4 136.6(5) . . ?
C52 O12 C49 107.1(6) . . ?
C52 O12 Eu2 126.3(5) . . ?
C49 O12 Eu2 126.5(4) . . ?
C53 O13 Eu1 148.7(7) . . ?
O4 C1 C2 120.1(8) . . ?
O4 C1 C6 121.5(8) . . ?
C2 C1 C6 118.3(8) . . ?
C1 C2 C3 118.3(10) . . ?
C1 C2 C7 121.7(10) . . ?
C3 C2 C7 119.9(11) . . ?
C4 C3 C2 120.9(12) . . ?
C5 C4 C3 119.5(11) . . ?
C4 C5 C6 122.8(13) . . ?
C5 C6 C1 120.0(11) . . ?
C5 C6 C8 120.7(11) . . ?
C1 C6 C8 119.3(9) . . ?
O5 C9 C14 121.2(7) . . ?
O5 C9 C10 118.6(7) . . ?
C14 C9 C10 120.1(7) . . ?
C11 C10 C9 117.6(9) . . ?
C11 C10 C15 123.0(9) . . ?
C9 C10 C15 119.4(7) . . ?
C12 C11 C10 122.4(10) . . ?
C11 C12 C13 120.4(9) . . ?
C14 C13 C12 119.6(10) . . ?
C9 C14 C13 119.9(9) . . ?
C9 C14 C16 120.3(7) . . ?
C13 C14 C16 119.8(9) . . ?
O6 C17 C18 120.9(7) . . ?
O6 C17 C22 121.1(6) . . ?
C18 C17 C22 118.0(7) . . ?
C17 C18 C19 119.3(8) . . ?
C17 C18 C23 119.9(7) . . ?
C19 C18 C23 120.7(8) . . ?
C20 C19 C18 122.0(9) . . ?
C19 C20 C21 117.9(8) . . ?
C20 C21 C22 122.0(8) . . ?
C21 C22 C17 120.6(8) . . ?
C21 C22 C24 120.6(7) . . ?
C17 C22 C24 118.7(7) . . ?
O7 C25 C30 121.6(7) . . ?
O7 C25 C26 119.9(7) . . ?
C30 C25 C26 118.5(7) . . ?
C27 C26 C25 119.6(9) . . ?
C27 C26 C31 122.0(9) . . ?
C25 C26 C31 118.4(7) . . ?
C28 C27 C26 121.6(11) . . ?
C27 C28 C29 118.9(9) . . ?
C28 C29 C30 122.6(10) . . ?
C29 C30 C25 118.7(9) . . ?
C29 C30 C32 120.3(9) . . ?
C25 C30 C32 121.0(8) . . ?
O8 C33 C38 120.9(7) . . ?
O8 C33 C34 121.0(7) . . ?
C38 C33 C34 118.1(6) . . ?
C35 C34 C33 120.0(7) . . ?
C35 C34 C39 120.2(7) . . ?
C33 C34 C39 119.8(7) . . ?
C36 C35 C34 121.4(7) . . ?
C35 C36 C37 119.5(7) . . ?
C36 C37 C38 121.0(8) . . ?
C37 C38 C33 120.1(7) . . ?
C37 C38 C40 120.1(7) . . ?
C33 C38 C40 119.8(7) . . ?
O10 C41 C42 109.3(8) . . ?
C41 C42 C43 103.7(9) . . ?
C44 C43 C42 104.7(8) . . ?
C43 C44 O10 107.3(8) . . ?
O11 C45 C46 106.1(7) . . ?
C47 C46 C45 104.6(8) . . ?
C48 C47 C46 104.9(8) . . ?
O11 C48 C47 105.2(9) . . ?
O12 C49 C50' 105.4(3) . . ?
O12 C49 C50 103.5(3) . . ?
C50' C49 C50 44.3 . . ?
C49 C50 C51 99.9 . . ?
C49 C50' C51 103.7 . . ?
C52 C51 C50' 102.5(5) . . ?
C52 C51 C50 102.5(5) . . ?
C50' C51 C50 42.8 . . ?
C51 C52 O12 110.3(7) . . ?
O13 C53 C55 110.7(11) . . ?
O13 C53 C54 114.1(11) . . ?
C55 C53 C54 110.1(13) . . ?
C62 C56 C57 126.8(14) . . ?
C62 C56 C61 113.2(14) . . ?
C57 C56 C61 120.0 . . ?
C56 C57 C58 120.0 . . ?
C59 C58 C57 120.0 . . ?
C60 C59 C58 120.0 . . ?
C59 C60 C61 120.0 . . ?
C60 C61 C56 120.0 . . ?
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 O9 2.276(5) . ?
Eu1 O6 2.342(5) . ?
Eu1 O5 2.369(5) . ?
Eu1 O2 2.455(4) . ?
Eu1 O1 2.458(5) . ?
Eu1 O3 2.474(5) . ?
Eu1 O13 2.521(5) . ?
Eu1 Eu2 3.6029(5) . ?
Eu1 Eu3 3.6396(5) . ?
Eu1 Eu4 3.6520(5) . ?
Eu2 O9 2.446(5) . ?
Eu2 O7 2.457(5) . ?
Eu2 O4 2.462(5) . ?
Eu2 O12 2.609(5) . ?
Eu2 O3 2.637(5) . ?
Eu2 O1 2.651(5) . ?
Eu2 O2 2.684(5) 3_556 ?
Eu2 Eu4 3.6821(5) 3_556 ?
Eu2 Eu3 3.7058(5) 3_556 ?
Eu3 O7 2.478(5) 3_556 ?
Eu3 O8 2.509(5) 3_556 ?
Eu3 O6 2.594(5) . ?
Eu3 O10 2.641(5) . ?
Eu3 O3 2.656(5) . ?
Eu3 O1 2.675(5) 3_556 ?
Eu3 O2 2.725(4) . ?
Eu3 Eu2 3.7058(5) 3_556 ?
Eu3 Eu4 3.7193(5) 3_556 ?
Eu4 O8 2.490(5) . ?
Eu4 O4 2.504(5) 3_556 ?
Eu4 O5 2.557(5) . ?
Eu4 O11 2.632(5) . ?
Eu4 O3 2.655(5) 3_556 ?
Eu4 O1 2.663(4) . ?
Eu4 O2 2.708(4) . ?
Eu4 Eu2 3.6821(5) 3_556 ?
Eu4 Eu3 3.7193(5) 3_556 ?
O1 Eu3 2.675(5) 3_556 ?
O2 Eu2 2.684(5) 3_556 ?
O3 Eu4 2.655(5) 3_556 ?
O4 C1 1.317(8) . ?
O4 Eu4 2.504(5) 3_556 ?
O5 C9 1.350(8) . ?
O6 C17 1.336(8) . ?
O7 C25 1.334(8) . ?
O7 Eu3 2.478(5) 3_556 ?
O8 C33 1.338(8) . ?
O8 Eu3 2.509(5) 3_556 ?
O10 C41 1.413(11) . ?
O10 C44 1.486(12) . ?
O11 C45 1.438(10) . ?
O11 C48 1.439(11) . ?
O12 C52 1.440(10) . ?
O12 C49 1.449(8) . ?
O13 C53 1.371(12) . ?
C1 C2 1.402(12) . ?
C1 C6 1.402(12) . ?
C2 C3 1.411(15) . ?
C2 C7 1.502(16) . ?
C3 C4 1.38(2) . ?
C4 C5 1.31(2) . ?
C5 C6 1.375(14) . ?
C6 C8 1.487(15) . ?
C9 C14 1.378(12) . ?
C9 C10 1.435(11) . ?
C10 C11 1.381(12) . ?
C10 C15 1.501(12) . ?
C11 C12 1.349(16) . ?
C12 C13 1.394(16) . ?
C13 C14 1.394(12) . ?
C14 C16 1.505(13) . ?
C17 C18 1.402(11) . ?
C17 C22 1.406(10) . ?
C18 C19 1.413(12) . ?
C18 C23 1.512(13) . ?
C19 C20 1.376(14) . ?
C20 C21 1.380(13) . ?
C21 C22 1.381(11) . ?
C22 C24 1.517(12) . ?
C25 C30 1.416(11) . ?
C25 C26 1.417(11) . ?
C26 C27 1.393(12) . ?
C26 C31 1.501(12) . ?
C27 C28 1.363(17) . ?
C28 C29 1.377(17) . ?
C29 C30 1.385(12) . ?
C30 C32 1.492(13) . ?
C33 C38 1.411(10) . ?
C33 C34 1.414(10) . ?
C34 C35 1.395(11) . ?
C34 C39 1.514(11) . ?
C35 C36 1.363(12) . ?
C36 C37 1.389(11) . ?
C37 C38 1.389(10) . ?
C38 C40 1.498(11) . ?
C41 C42 1.462(14) . ?
C42 C43 1.564(14) . ?
C43 C44 1.442(14) . ?
C45 C46 1.521(12) . ?
C46 C47 1.509(14) . ?
C47 C48 1.506(15) . ?
C49 C50' 1.4582 . ?
C49 C50 1.5271 . ?
C50 C51 1.5538 . ?
C50' C51 1.5409 . ?
C51 C52 1.420(11) . ?
C53 C55 1.442(17) . ?
C53 C54 1.453(16) . ?
C56 C62 1.33(2) . ?
C56 C57 1.3900 . ?
C56 C61 1.3900 . ?
C57 C58 1.3900 . ?
C58 C59 1.3900 . ?
C59 C60 1.3900 . ?
C60 C61 1.3900 . ?
