Varied Reactions of [M(L)]3 with HgCl2, FeBr2, CeCl3, AgOTf; Ligand Transfer, Nucleophilic Attack with Recombination and/or Fragmentation [M = Li or Na; L = N(SiMe3){C(H)N}3SiMe3]
W. Marco Boesveld; Peter B. Hitchcock; Michael F. Lappert; Inorganic Chemistry 48 (2009) 11444–11450; doi:10.1021/ic901687a

data_4303733
_publ_contact_author_address
;
Department of Chemistry
University of Sussex
BRIGHTON
BN1 9QJ
UNITED KINGDOM
;
_publ_contact_author_email       m.f.lappert@sussex.ac.uk
_publ_contact_author_name        'M. F. Lappert'
_publ_section_title
;
Varied Reactions of [M(L)]3 with HgCl2, FeBr2, CeCl3, AgOTf; Ligand
Transfer, Nucleophilic Attack with Recombination and/or Fragmentation [M =
Li or Na; L = N(SiMe3){C(H)N}3SiMe3]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11444
_journal_page_last               11450
_journal_paper_doi               10.1021/ic901687a
_journal_volume                  48
_journal_year                    2009
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C36 H84 Fe2 N16 Si8'
_chemical_formula_structural     'C36 H84 FE2 N16 SI8'
_chemical_formula_sum            'C36 H84 Fe2 N16 Si8'
_chemical_formula_weight         1077.61
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/cifdics/cif_core2.1beta.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1beta3
_audit_creation_date             1999-04-27T16:03:14-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.959(5)
_cell_length_b                   20.959(5)
_cell_length_c                   14.360(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      2.59
_cell_measurement_wavelength     0.71073
_cell_volume                     6308(3)
_computing_cell_refinement       'CAD4  (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4  (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'scintillation LiI'
_diffrn_detector_dtime           1.195
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf Nonius TurboCAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_diffrn_orient_matrix_type
;
  x-axis points to radiation source
  the matrix is specified in reciprocal space
;
_diffrn_orient_matrix_UB_11      -0.7951E-2
_diffrn_orient_matrix_UB_12      0.22057E-1
_diffrn_orient_matrix_UB_13      -0.60616E-1
_diffrn_orient_matrix_UB_21      0.13932E-1
_diffrn_orient_matrix_UB_22      -0.39079E-1
_diffrn_orient_matrix_UB_23      -0.34233E-1
_diffrn_orient_matrix_UB_31      -0.44928E-1
_diffrn_orient_matrix_UB_32      -0.16076E-1
_diffrn_orient_matrix_UB_33      0.117E-3
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_av_sigmaI/netI    0.059
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5724
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.59
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.649
_exptl_absorpt_correction_T_max  0.8811
_exptl_absorpt_correction_T_min  0.8811
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.412
_refine_diff_density_min         -0.323
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         2767
_refine_ls_number_restraints     91
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.043
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.1027
_reflns_number_gt                1972
_reflns_number_total             2767
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901687a_si_001_2.cif
_cod_data_source_block           (2)-may399
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4303733
_diffrn_standards_decay_corr_max 1.069
_diffrn_standards_decay_corr_min 0.994