Pyridyl donor induced 1,3-silyl migration in metal complexes of the guanidine CyHNC{N(SiMe3)Py}NCy, Py = 2-(6-MeC5H3N)
Cole, Marcus L.; Junk, Peter C.; Dalton Transactions  (2003) 2109–; doi:10.1039/b303772j

data_7013051
_publ_section_title
;
 Pyridyl donor induced 1,3-silyl migration in metal complexes of the
 guanidine CyHNC{N(SiMe3)Py}NCy, Py = 2-(6-MeC5H3N)
;
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              2109
_journal_paper_doi               10.1039/b303772j
_journal_year                    2003
_chemical_formula_sum            'C22 H37 Al Cl2 N4 Si'
_chemical_formula_weight         483.53
_chemical_name_common            '[AlCl2(AMPTMSDCC)]'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 125.82(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.997(6)
_cell_length_b                   9.1761(18)
_cell_length_c                   21.752(4)
_cell_measurement_temperature    123(2)
_cell_volume                     5179(3)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        'X -Seed'
_computing_molecular_graphics    'X-Seed / POV-Ray'
_computing_publication_material  'Microsoft Office 2000'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'psi and omega 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  0.0730
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            16593
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    0.348
_exptl_absorpt_correction_T_max  0.9661
_exptl_absorpt_correction_T_min  0.9337
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'performed as part of the DENZO-SMN package'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.240
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.932
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         6305
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=1/[\s^2^(Fo^2^)+(0.0864P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1293
_refine_ls_wR_factor_ref         0.1397
_reflns_number_gt                4860
_reflns_number_total             6305
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b303772j.txt
_cod_data_source_block           Compound_4
_cod_original_cell_volume        5178.4(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7013051