Synthesis and structural characterization of a volatile, intramolecularly coordinated monomeric homoleptic magnesium alkylamide
Rees Jr., William S.; Luten, Henry A.; Just, Oliver; Chemical Communications  (2000) 735–; doi:10.1039/a909746e

data_7110816
_publ_section_title
;
 Synthesis and structural characterization of a volatile, intramolecularly
 coordinated monomeric homoleptic magnesium alkylamide
;
_journal_issue                   9
_journal_name_full               'Chemical Communications'
_journal_page_first              735
_journal_paper_doi               10.1039/a909746e
_journal_year                    2000
_chemical_formula_sum            'C16 H42 Mg N4 Si2'
_chemical_formula_weight         371.03
_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                110.738(4)
_cell_angle_beta                 92.948(4)
_cell_angle_gamma                92.182(4)
_cell_formula_units_Z            4
_cell_length_a                   10.327(2)
_cell_length_b                   15.066(3)
_cell_length_c                   16.698(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2422.0(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0446
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18267
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    0.177
_exptl_crystal_density_diffrn    1.017
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_refine_diff_density_max         0.492
_refine_diff_density_min         -0.208
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         8489
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0774
_refine_ls_R_factor_gt           0.0443
_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^)+(0.0683P)^2^+0.0975P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1248
_reflns_number_gt                5688
_reflns_number_total             8489
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a909746esup1.cif
_cod_data_source_block           just44
_cod_original_cell_volume        2422.1(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7110816