Diverse Reactivity of ECp* (E = Al, Ga) toward Low-Coordinate Transition Metal Amides [TM(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>] (TM = Fe, Co, Zn): Insertion, Cp* Transfer, and Orthometalation.
Weßing, Jana; Göbel, Christoph; Weber, Birgit; Gemel, Christian; Fischer, Roland A.; Inorganic chemistry 56 (2017) 3517–3525; doi:10.1021/acs.inorgchem.6b03127

data_4349384
_publ_section_title
;
 Diverse Reactivity of ECp* (E = Al, Ga) toward Low-Coordinate Transition
 Metal Amides [TM(N(SiMe<sub>3</sub>)<sub>2</sub>)<sub>2</sub>] (TM = Fe,
 Co, Zn): Insertion, Cp* Transfer, and Orthometalation.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/acs.inorgchem.6b03127
_journal_volume                  56
_journal_year                    2017
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C32 H70 Al2 Co N2 Si4'
_chemical_formula_sum            'C32 H70 Al2 Co N2 Si4'
_chemical_formula_weight         708.15
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                94.067(2)
_cell_angle_beta                 106.104(1)
_cell_angle_gamma                113.135(1)
_cell_formula_units_Z            1
_cell_length_a                   8.6323(3)
_cell_length_b                   9.6301(3)
_cell_length_c                   13.9237(5)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    100
_cell_measurement_theta_max      35.8755
_cell_measurement_theta_min      2.3491
_cell_volume                     1001.20(6)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'APEX III Control Software (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'TXS rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            64049
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         35.63
_diffrn_reflns_theta_min         2.35
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.7109
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.174
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             385
_exptl_crystal_size_max          0.173
_exptl_crystal_size_mid          0.101
_exptl_crystal_size_min          0.043
_refine_diff_density_max         0.613
_refine_diff_density_min         -0.421
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     206
_refine_ls_number_reflns         9232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0344
_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^)+(0.0307P)^2^+0.3859P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0776
_reflns_number_gt                7434
_reflns_number_total             9232
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic6b03127_si_001.cif
_cod_data_source_block           wesja6_0m_a
_cod_database_code               4349384
_shelx_res_checksum              95725
_shelx_hkl_checksum              10563