Degradation of silicone grease by Grignard reagents: bis(μ-dimethylphenylsilanolato-κ^2^<i>O</i>:<i>O</i>)bis[bromido(diethyl ether)magnesium(II)]
Lennartson, Anders; Håkansson, Mikael; Acta Crystallographica Section C 64 (2008) m8–m9; doi:10.1107/S0108270107057903

data_2016374
_publ_section_title
;
 Degradation of silicone grease by Grignard reagents:
 bis(\m-dimethylphenylsilanolato-\k^2^<i>O</i>:<i>O</i>)bis[bromido(diethyl
 ether)magnesium(II)]
;
_journal_coeditor_code           DN3070
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m8
_journal_page_last               m9
_journal_paper_doi               10.1107/S0108270107057903
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Mg2 Br2 (C8 H11 O1 Si1)2 (C4 H10 O1)2]'
_chemical_formula_moiety         'C24 H42 Br2 Mg2 O4 Si2'
_chemical_formula_sum            'C24 H42 Br2 Mg2 O4 Si2'
_chemical_formula_weight         659.18
_chemical_name_systematic
;
bis(\m-dimethylphenylsilanolato-\k^2^O:O)bis[bromido(diethyl
ether)magnesium(II)]
;
_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'
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_cell_angle_beta                 91.77(5)
_cell_angle_gamma                90.00
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_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      3.00
_cell_volume                     1622.2(4)
_computing_cell_refinement       'CrystalClear (Rigaku, 2000)'
_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_data_reduction        'CrystalClear (Rigaku, 2000)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1993)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 105
_diffrn_measured_fraction_theta_full 0.907
_diffrn_measured_fraction_theta_max 0.907
_diffrn_measurement_device_type  'Rigaku R-AXIS IIC image-plate system'
_diffrn_measurement_method       \f
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_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10801
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    2.636
_exptl_absorpt_correction_T_max  0.7670
_exptl_absorpt_correction_T_min  0.4401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_diff_density_max         0.317
_refine_diff_density_min         -0.379
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2586
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0237
_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^)+(0.0310P)^2^+0.4905P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0606
_reflns_number_gt                2652
_reflns_number_total             2891
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn3070.cif
_cod_data_source_block           I
_cod_original_cell_volume        1622.3(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2016374
_cod_database_fobs_code          2016374