5,5'-Bis[(trimethylsilyl)methyl]-2,2'-bipyridine
Davies, Murray S.; Glasson, Christopher R. K.; Meehan, George V.; Acta Crystallographica Section E 64 (2008) o364–o364; doi:10.1107/S1600536807052154

data_2217702
_publ_section_title
;
 5,5'-Bis[(trimethylsilyl)methyl]-2,2'-bipyridine
;
_journal_coeditor_code           YA2054
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o364
_journal_page_last               o364
_journal_paper_doi               10.1107/S1600536807052154
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C18 H28 N2 Si2'
_chemical_formula_moiety         'C18 H28 N2 Si2'
_chemical_formula_sum            'C18 H28 N2 Si2'
_chemical_formula_weight         328.60
_chemical_name_systematic
;
5,5'-Bis[(trimethylsilyl)methyl]-2,2'-bipyridine
;
_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                76.599(7)
_cell_angle_beta                 88.415(7)
_cell_angle_gamma                64.859(6)
_cell_formula_units_Z            1
_cell_length_a                   6.279(3)
_cell_length_b                   6.575(3)
_cell_length_c                   14.030(6)
_cell_measurement_reflns_used    1147
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      0.9
_cell_volume                     508.4(4)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001) and XPREP (Bruker, 2001)'
_computing_molecular_graphics
;ORTEP-3 for Windows (Farrugia, 1997) and
Burnett & Johnson (1996)
;
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_full        26.4
_diffrn_reflns_theta_max         26.4
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.174
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.073
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.25
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_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2057
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.04
_refine_ls_R_factor_all          0.098
_refine_ls_R_factor_gt           0.064
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.093P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
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