Synthesis, Characterization, and Properties of Three Europium 2-Propoxides: [Eu4(OPri)10(HOPri)3]*2HOPri, Eu5O(OPri)13, and EuAl3(OPri)12
G. Westin; M. Moustiakimov; M. Kritikos; Inorganic Chemistry 41 (2002) 3249–3258; doi:10.1021/ic010745l

data_4318062
_publ_section_title
;
 Synthesis, Characterization, and Properties of Three Europium
 2-Propoxides: [Eu4(OPri)10(HOPri)3]*2HOPri, Eu5O(OPri)13, and
 EuAl3(OPri)12
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3249
_journal_page_last               3258
_journal_paper_doi               10.1021/ic010745l
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C39 H91 Eu5 O14'
_chemical_formula_sum            'C39 H91 Eu5 O14'
_chemical_formula_weight         1543.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 91.49(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.846(17)
_cell_length_b                   21.54(3)
_cell_length_c                   21.654(19)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      3
_cell_volume                     5990(13)
_computing_data_reduction        'X-RED  (STOE, 1996)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full .410
_diffrn_measured_fraction_theta_max .410
_diffrn_measurement_device_type  STOE-4
_diffrn_measurement_method
' Scan width (omega) = 1.11 - 1.26, scan ratio 2theta:omega = 1.00'
_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  0.1118
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_number            11129
_diffrn_reflns_theta_full        24.07
_diffrn_standards_decay_%        15.7
_diffrn_standards_interval_time  360
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    5.206
_exptl_absorpt_correction_T_max  0.0395
_exptl_absorpt_correction_T_min  0.0076
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
    Psi Scan Reflections used    Mu * R = 3.12

    H   K   L   2Theta   Chi   Imin/Imax
   -4   2   1    13.3    78.1    0.484
    4  -2  -1    13.3   -78.1    0.412
   -4  -2   1    13.3    45.1    0.402
    4   2  -1    13.3   -45.1    0.350
   -4   4   1    14.8    87.6    0.590
   -5   3   0    16.8    78.0    0.431
    5  -4  -2    17.9   -84.9    0.460
   -5  -4   2    17.9    36.4    0.415
   -5   5   0    18.5    81.7    0.514
    5  -5   0    18.5   -81.7    0.432
   -5  -5   0    18.5    30.1    0.298
    5   5   0    18.5   -30.1    0.303
   -6   8   0    24.4    77.3    0.504
    7  -7  -1    26.0   -85.6    0.397
   -7   7   1    26.0    85.6    0.541
    7   7  -1    26.0   -30.6    0.366
   -7  -7   1    26.0    30.6    0.350
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.553
_refine_diff_density_min         -1.145
_refine_diff_density_rms         .212
_refine_ls_extinction_coef       0.00009(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         3888
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.1762
_refine_ls_R_factor_gt           0.0797
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1576P)^2^+60.3075P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2171
_refine_ls_wR_factor_ref         0.2166
_cod_data_source_file            ic010745l_1.cif
_cod_data_source_block           eu5
_cod_original_cell_volume        5990(12)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4318062