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_4303732
_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_formula_structural     '[ClCe{Me3SiN(CHN)3SiMe3}4CeCl]'
_chemical_formula_sum            'C36 H84 Ce2 Cl2 N16 Si8'
_chemical_formula_weight         1317.05
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 94.78(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.941(2)
_cell_length_b                   27.269(4)
_cell_length_c                   10.953(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      10
_cell_measurement_theta_min      7
_cell_volume                     3256.5(10)
_computing_cell_refinement       'Enraf-Nonius CAD4'
_computing_data_collection       'Enraf-Nonius CAD4'
_computing_molecular_graphics    'CAMERON (Watkin and Pearce,1993)'
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       ' Enraf-Nonius CAD4'
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
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_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.647
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
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_refine_diff_density_min         -1.424
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
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_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    riding
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_refine_ls_number_reflns         5680
_refine_ls_number_restraints     552
_refine_ls_restrained_S_all      1.164
_refine_ls_restrained_S_obs      1.063
_refine_ls_R_factor_all          0.0992
_refine_ls_R_factor_gt           0.0720
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0739P)^2^+25.3453P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2183
_refine_ls_wR_factor_ref         0.1686
_reflns_number_gt                4225
_reflns_number_total             5700
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901687a_si_001_1.cif
_cod_data_source_block           (3)-sep398
_cod_database_code               4303732