2,2,6,6-Tetramethylpiperidinogallium as a Terminal and Bridging Ligand in Homo- and Heteroleptic Chromium, Nickel, and Cobalt Complexes
Annekathrin Seifert; Gerald Linti; Inorganic Chemistry 47 (2008) 11398–11404; doi:10.1021/ic801437n

data_4306626
_publ_contact_author_address
;University of Heidelberg
Institute of Inorganic Chemistry
Im Neuenheimer Feld 270
D-69120 Heidelberg
Germany
;
_publ_contact_author_email       gerald.linti@aci.uni-hedielberg.de
_publ_contact_author_fax         Int+6221546617
_publ_contact_author_name        'Gerald Linti'
_publ_contact_author_phone       Int+6221548468
_publ_section_title
;
2,2,6,6-Tetramethylpiperidinogallium as a Terminal and Bridging Ligand in
Homo- and Heteroleptic Chromium, Nickel, and Cobalt Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11398
_journal_page_last               11404
_journal_paper_doi               10.1021/ic801437n
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         Ni2[Ga(NC9H18)]7
_chemical_formula_sum            'C63 H126 Ga7 N7 Ni2'
_chemical_formula_weight         1587.17
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 116.24(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   61.281(6)
_cell_length_b                   13.164(2)
_cell_length_c                   31.559(4)
_cell_measurement_temperature    200(2)
_cell_volume                     22835(8)
_computing_cell_refinement       'STOE IPDS software'
_computing_data_collection       'STOE IPDS software'
_computing_data_reduction        'STOE XRED'
_computing_molecular_graphics    Diamond
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'image plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1345
_diffrn_reflns_av_sigmaI/netI    0.1032
_diffrn_reflns_limit_h_max       69
_diffrn_reflns_limit_h_min       -70
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            71435
_diffrn_reflns_theta_full        24.11
_diffrn_reflns_theta_max         24.11
_diffrn_reflns_theta_min         1.59
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'STOE IPDS I'
_exptl_absorpt_coefficient_mu    2.958
_exptl_absorpt_correction_T_max  0.8346
_exptl_absorpt_correction_T_min  0.6521
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             9912
_exptl_crystal_size_max          .64
_exptl_crystal_size_mid          .17
_exptl_crystal_size_min          .09
_refine_diff_density_max         1.147
_refine_diff_density_min         -0.975
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.842
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1114
_refine_ls_number_reflns         17872
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.843
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0490
_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^)+(0.0615P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1109
_refine_ls_wR_factor_ref         0.1233
_reflns_number_gt                10831
_reflns_number_total             17872
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801437n_si_001_4.cif
_cod_data_source_block           aks86mon_comp_5
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4306626