Synthesis and First Structural Characterization of Lanthanide(II) Aryls: Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II) Chemistry
Gernot Heckmann; Mark Niemeyer; Journal of the American Chemical Society 122 (2000) 4227–4228; doi:10.1021/ja993494c

data_4115988
_publ_contact_author_address
;
Institut f\"ur Anorganische Chemie
Universit\"at Stuttgart
Pfaffenwaldring 55
D-70569 Stuttgart
Germany
;
_publ_contact_author_email       niemeyer@iac.uni-stuttgart.de
_publ_contact_author_name        'Mark Niemeyer'
_publ_section_title
;
 Synthesis and First Structural Characterization of Lanthanide(II) Aryls:
 Observation of a Schlenk Equilibrium in Europium(II) and Ytterbium(II)
 Chemistry
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4227
_journal_page_last               4228
_journal_paper_doi               10.1021/ja993494c
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C48 H50 Eu O3'
_chemical_formula_weight         826.84
_chemical_name_systematic
; 
Bis(tetrahydofuran)(Bis)(2,6-(diphenyl)phenyl)europium(II) tetrahydrofuran
solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.788(19)
_cell_angle_beta                 91.340(19)
_cell_angle_gamma                113.65(2)
_cell_formula_units_Z            2
_cell_length_a                   9.607(4)
_cell_length_b                   11.650(4)
_cell_length_c                   19.470(7)
_cell_measurement_reflns_used    33
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      11.93
_cell_measurement_theta_min      5.07
_cell_volume                     1931.2(13)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_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      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w 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  0.0562
_diffrn_reflns_av_sigmaI/netI    0.0828
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7971
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.16
_diffrn_standards_decay_%        13.25
_diffrn_standards_interval_count 148
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.665
_exptl_absorpt_correction_T_max  0.8511
_exptl_absorpt_correction_T_min  0.5555
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_F_000             850
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.952
_refine_diff_density_min         -0.498
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         7500
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      0.927
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                5785
_reflns_number_total             7500
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja993494c_2.cif
_cod_data_source_block           nie75
_cod_original_cell_volume        1931.2(12)
_cod_database_code               4115988