Dibromido[(<i>tert</i>-butylamino)dimethyl(piperidin-1-ylmethyl)silane-κ^2^<i>N</i>,<i>N</i>']zinc(II)
Colquhoun, Victoria P.; Strohmann, Carsten; Acta Crystallographica Section E 65 (2009) m680–; doi:10.1107/S1600536809018364

data_2222001
_publ_section_title
Dibromido[(<i>tert</i>-butylamino)dimethyl(piperidin-1-ylmethyl)silane-\k^2^<i>N</i>,<i>N</i>']zinc(II)
_journal_coeditor_code           FI2078
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m680
_journal_paper_doi               10.1107/S1600536809018364
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Zn Br2 (C12 H28 N2 Si)]'
_chemical_formula_moiety         'C12 H28 Br2 N2 Si Zn'
_chemical_formula_sum            'C12 H28 Br2 N2 Si Zn'
_chemical_formula_weight         453.64
_chemical_name_systematic
;
Dibromido[(<i>tert</i>-butylamino)dimethyl(piperidin-1-ylmethyl)silane-\
\k^2^<i>N</i>,<i>N</i>']zinc(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 109.752(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0284(4)
_cell_length_b                   10.6505(3)
_cell_length_c                   14.5633(5)
_cell_measurement_reflns_used    9282
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      29.1313
_cell_measurement_theta_min      2.4256
_cell_volume                     1755.91(11)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0370
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17826
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.42
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_number         1
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_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69770
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2006)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_min          0.20
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3440
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.012P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0342
_refine_ls_wR_factor_ref         0.0346
_reflns_number_gt                2673
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fi2078.cif
_cod_data_source_block           I
_cod_original_cell_volume        1755.91(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2222001
_cod_database_fobs_code          2222001