Magnesium-Magnesium Bond Stabilized by a Doubly Reduced α-Diimine: Synthesis and Structure of [K(THF)3]2[LMg-MgL] (L = [(2,6-iPr2C6H3)NC(Me)]22-)
Yanyan Liu; Shaoguang Li; Xiao-Juan Yang; Peiju Yang; Biao Wu; Journal of the American Chemical Society 131 (2009) 4210–4211; doi:10.1021/ja900568c

data_4104104
_publ_section_title
;
 Magnesium-Magnesium Bond Stabilized by a Doubly Reduced \a-Diimine:
 Synthesis and Structure of [K(THF)3]2[LMg-MgL] (L =
 [(2,6-iPr2C6H3)NC(Me)]22-)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4210
_journal_page_last               4211
_journal_paper_doi               10.1021/ja900568c
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C88 H144 K2 Mg2 N4 O8'
_chemical_formula_weight         1512.89
_chemical_name_systematic
; 
 ? 
;
_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                105.160(3)
_cell_angle_beta                 100.332(3)
_cell_angle_gamma                115.281(2)
_cell_formula_units_Z            1
_cell_length_a                   13.138(2)
_cell_length_b                   13.301(2)
_cell_length_c                   15.464(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2223.5(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker APEX II area detector'
_diffrn_measurement_method       '\w scans'
_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  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0625
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15644
_diffrn_reflns_theta_full        26.13
_diffrn_reflns_theta_max         26.13
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    0.174
_exptl_absorpt_correction_T_max  0.9660
_exptl_absorpt_correction_T_min  0.9464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             826
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.587
_refine_diff_density_min         -0.491
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1019
_refine_ls_R_factor_gt           0.0633
_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^)+(0.1080P)^2^+1.0366P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1723
_refine_ls_wR_factor_ref         0.2011
_reflns_number_gt                5708
_reflns_number_total             8600
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja900568c_si_002.cif
_cod_data_source_block           1
_cod_original_cell_volume        2223.4(8)
_cod_database_code               4104104