[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)methanimidamidato][η^8^-1,4-bis(trimethylsilyl)cyclooctatetraenyl](tetrahydrofuran)samarium(III) toluene monosolvate
Edelmann, Anja; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.; Acta Crystallographica Section E 66 (2010) m1675–m1676; doi:10.1107/S1600536810048531

data_2228635
_publ_section_title
;
 [<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)methanimidamidato][\h^8^-1,4-bis(trimethylsilyl)cyclooctatetraenyl](tetrahydrofuran)samarium(III)
 toluene monosolvate
;
_journal_coeditor_code           ZS2077
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1675
_journal_page_last               m1676
_journal_paper_doi               10.1107/S1600536810048531
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Sm (C25 H35 N2) (C14 H24 Si2) (C4 H8 O)], C7 H8'
_chemical_formula_moiety         'C43 H67 N2 O Si2 Sm, C7 H8'
_chemical_formula_sum            'C50 H75 N2 O Si2 Sm'
_chemical_formula_weight         926.65
_chemical_name_systematic
;
[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)methanimidamidato][\h^8^-
1,4-bis(trimethylsilyl)cyclooctatetraenyl](tetrahydrofuran)samarium(III)
toluene monosolvate
;
_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                 107.80(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.490(4)
_cell_length_b                   11.166(2)
_cell_length_c                   24.865(5)
_cell_measurement_reflns_used    2203
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      29.29
_cell_measurement_theta_min      2.02
_cell_volume                     4887.9(19)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'XP (Siemens, 1994)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Stoe IPDS 2T'
_diffrn_measurement_method       \w
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13121
_diffrn_reflns_theta_full        29.29
_diffrn_reflns_theta_max         29.29
_diffrn_reflns_theta_min         2.02
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.286
_exptl_absorpt_correction_T_max  0.9922
_exptl_absorpt_correction_T_min  0.9777
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE and X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1948
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.353
_refine_diff_density_min         -1.805
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.895
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         13121
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      0.895
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0243
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0371P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0562
_reflns_number_gt                10516
_reflns_number_total             13121
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2077.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2228635
_cod_database_fobs_code          2228635