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_4318063
_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         'C36 H84 Al3 Eu O12'
_chemical_formula_sum            'C36 H84 Al3 Eu O12'
_chemical_formula_weight         941.93
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 90.0000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.146(2)
_cell_length_b                   22.738(2)
_cell_length_c                   16.971(3)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      23
_cell_measurement_theta_min      2.9
_cell_volume                     5072.9(13)
_computing_cell_refinement       'IPDS (STOE, 1996c)'
_computing_data_collection       'IPDS (STOE, 1996c)'
_computing_data_reduction        'IPDS (STOE, 1996c)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full .838
_diffrn_measured_fraction_theta_max .838
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'phi oscillation'
_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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0475
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15455
_diffrn_reflns_theta_full        24.14
_diffrn_reflns_theta_max         24.14
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    1.336
_exptl_absorpt_correction_T_max  0.7119
_exptl_absorpt_correction_T_min  0.6422
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-SHAPE (STOE, 1996b), X-RED (STOE, 1996a)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         .454
_refine_diff_density_min         -.877
_refine_diff_density_rms         .088
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.049(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     925
_refine_ls_number_reflns         10872
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0702P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.0953
_reflns_number_gt                10401
_reflns_number_total             10872
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010745l_2.cif
_cod_data_source_block           eual3
_cod_original_cell_volume        5072.8(13)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4318063