Magnesium(II) Complexes of 2,4-N,N'-Disubstituted 1,3,5-Triazapentadienyl Ligands: Synthesis and Characterization of [N(Dipp)C(NMe2)NC(NMe2)N(SiMe3)MgBr]2 and [N(R)C(R')NC(R')N(SiMe3)]2Mg (Dipp = 2,6-iPr2-C6H3, R = Ph, SiMe3; R' = NMe2, 1-piperidino)
Meisu Zhou; Tao Gong; Xiaoli Qiao; Hongbo Tong; Jianping Guo; Diansheng Liu; Inorganic Chemistry 50 (2011) 1926–1930; doi:10.1021/ic102401w

data_4324554
_publ_section_title
;
 Magnesium(II) Complexes of 2,4-N,N'-Disubstituted 1,3,5-Triazapentadienyl
 Ligands: Synthesis and Characterization of
 [N(Dipp)C(NMe2)NC(NMe2)N(SiMe3)MgBr]2 and [N(R)C(R')NC(R')N(SiMe3)]2Mg
 (Dipp = 2,6-iPr2-C6H3, R = Ph, SiMe3; R' = NMe2, 1-piperidino)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1926
_journal_page_last               1930
_journal_paper_doi               10.1021/ic102401w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C76 H162 Mg2 N20 O Si8'
_chemical_formula_weight         1645.60
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.801(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.188(4)
_cell_length_b                   28.697(7)
_cell_length_c                   11.888(3)
_cell_measurement_reflns_used    5709
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25.24
_cell_measurement_theta_min      2.529
_cell_volume                     5090(2)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'ccd area scan'
_diffrn_measurement_method       \w
_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  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            20045
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.36
_diffrn_standards_decay_%        4.83
_exptl_absorpt_coefficient_mu    0.165
_exptl_absorpt_correction_T_max  0.9677
_exptl_absorpt_correction_T_min  0.9521
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.074
_exptl_crystal_description       block
_exptl_crystal_F_000             1804
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.612
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         8707
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0808
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1149P)^2^+1.4882P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1648
_refine_ls_wR_factor_ref         0.1939
_reflns_number_gt                6367
_reflns_number_total             8707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102401w_si_001_3.cif
_cod_data_source_block           s119b
_cod_database_code               4324554