A supramolecular approach to zwitterionic alkaline metal silanides and formation of heterobimetallic silanides
Hui Li; Louisa J. Hope-Weeks; Clemens Krempner; Chem.Commun. 47 (2011) 4117–; doi:10.1039/c1cc10148j

data_7106191
_publ_section_title
;
 A supramolecular approach to zwitterionic alkaline metal silanides and
 formation of heterobimetallic silanides
;
_journal_name_full               Chem.Commun.
_journal_page_first              4117
_journal_paper_doi               10.1039/c1cc10148j
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C18 H45 Na O6 Si4'
_chemical_formula_weight         492.89
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.248(4)
_cell_length_b                   15.467(5)
_cell_length_c                   16.551(5)
_cell_measurement_temperature    150(2)
_cell_volume                     2879.4(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.740
_diffrn_measured_fraction_theta_max 0.740
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_sigmaI/netI    0.0785
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13489
_diffrn_reflns_theta_full        22.15
_diffrn_reflns_theta_max         22.15
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.248
_exptl_absorpt_correction_T_max  0.9516
_exptl_absorpt_correction_T_min  0.9300
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.145
_refine_diff_density_min         -0.143
_refine_diff_density_rms         0.030
_refine_ls_extinction_coef       0.00013(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.830
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         2661
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.830
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0329
_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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0573
_refine_ls_wR_factor_ref         0.0610
_reflns_number_gt                1839
_reflns_number_total             2661
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc10148j.txt
_cod_data_source_block           krempner_3_final
_cod_original_cell_volume        2879.6(15)
_cod_database_code               7106191