Alkyl Complexes of Strontium and Barium: Synthesis and Structural Characterization of {(Me3Si)2(MeOMe2Si)C}2Sr(THF) and {(Me3Si)2(MeOMe2Si)C}2Ba(MeOCH2CH2OMe)
Keith Izod; Stephen T. Liddle; William Clegg; Journal of the American Chemical Society 125 (2003) 7534–7535; doi:10.1021/ja0352404

data_4113836
_publ_section_title
;
 Alkyl Complexes of Strontium and Barium: Synthesis and Structural
 Characterization of {(Me3Si)2(MeOMe2Si)C}2Sr(THF) and
 {(Me3Si)2(MeOMe2Si)C}2Ba(MeOCH2CH2OMe)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7534
_journal_page_last               7535
_journal_paper_doi               10.1021/ja0352404
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C24 H62 O3 Si6 Sr'
_chemical_formula_weight         654.90
_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 106.567(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4865(5)
_cell_length_b                   16.5147(8)
_cell_length_c                   12.2829(6)
_cell_measurement_reflns_used    13159
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.87
_cell_measurement_theta_min      2.41
_cell_volume                     1844.44(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.0665
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_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.73
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.678
_exptl_absorpt_correction_T_max  0.553
_exptl_absorpt_correction_T_min  0.362
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.76
_exptl_crystal_size_mid          0.54
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.251
_refine_diff_density_min         -0.245
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.029(4)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6103
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.817
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0253
_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^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0562
_refine_ls_wR_factor_ref         0.0581
_reflns_number_gt                5597
_reflns_number_total             6103
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ja0352404si20030320_035934.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4113836