A pyridyl-substituted cyclodisilazane [(Apy)~2~(μ-SiMe)~2~] (ApyH~2~ = 2-aminopyridine)
Li, Rui; Duan, Xin-E; Cao, Wei; Wei, Xue-Hong; IUCrData 2 (2017) x170400–; doi:10.1107/S241431461700400X

data_1545587
_publ_section_title
;
 A pyridyl-substituted cyclodisilazane [(Apy)~2~(\m-SiMe)~2~] (ApyH~2~ =
 2-aminopyridine)
;
_journal_coeditor_code           SJ4098
_journal_issue                   3
_journal_name_full               IUCrData
_journal_page_first              x170400
_journal_paper_doi               10.1107/S241431461700400X
_journal_volume                  2
_journal_year                    2017
_chemical_formula_iupac          'C14 H20 N4 Si2'
_chemical_formula_moiety         'C14 H20 N4 Si2'
_chemical_formula_sum            'C14 H20 N4 Si2'
_chemical_formula_weight         300.52
_chemical_name_systematic
;
2-[2,2,4,4-Tetramethyl-3-(pyridin-2-yl)-1,3,2,4-diazadisiletidin-1-yl]pyridine
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 109.6730(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8504(4)
_cell_length_b                   8.5234(4)
_cell_length_c                   10.3120(4)
_cell_measurement_reflns_used    5990
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.321
_cell_measurement_theta_min      3.246
_cell_volume                     815.25(6)
_computing_cell_refinement
;
SAINT (Bruker, 2012)
;
_computing_data_collection
;
APEX2 (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7684
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.320
_diffrn_reflns_theta_min         4.249
_exptl_absorpt_coefficient_mu    0.214
_exptl_absorpt_correction_T_max  0.9585
_exptl_absorpt_correction_T_min  0.9386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2012)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             320
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.289
_refine_diff_density_min         -0.232
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     93
_refine_ls_number_reflns         1999
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0448P)^2^+0.3604P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0867
_refine_ls_wR_factor_ref         0.0893
_reflns_number_gt                1850
_reflns_number_total             1999
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sj4098sup1.cif
_cod_data_source_block           I
_cod_database_code               1545587
_cod_database_fobs_code          1545587
_shelx_estimated_absorpt_t_min   0.939
_shelx_estimated_absorpt_t_max   0.958
_shelx_hkl_checksum              81304
_shelx_res_checksum              80681