Reactions of M[CH(SiMe3)2] (M = Na or K) with PhCN, and related chemistry.
Hitchcock, Peter B.; Lappert, Michael F.; Sablong, Rafaël; Dalton transactions (Cambridge, England : 2003)  (2006) 4146–4154; doi:10.1039/b601881e

data_7007219
_publ_section_title
;
 Reactions of M[CH(SiMe3)2] (M = Na or K) with PhCN, and related
 chemistry.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4146
_journal_page_last               4154
_journal_paper_doi               10.1039/b601881e
_journal_year                    2006
_chemical_formula_moiety         'C42 H58 N4 Ni Si4'
_chemical_formula_sum            'C42 H58 N4 Ni Si4'
_chemical_formula_weight         789.99
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2005-12-16T15:37:39-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 97.85(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.439(6)
_cell_length_b                   12.954(6)
_cell_length_c                   30.37(3)
_cell_measurement_temperature    173(2)
_cell_volume                     4458(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.95
_diffrn_measured_fraction_theta_max 0.95
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.1039
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            6560
_diffrn_reflns_theta_full        23.42
_diffrn_reflns_theta_max         23.42
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    0.575
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.177
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.194
_refine_diff_density_min         -1.612
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6217
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1486
_refine_ls_R_factor_gt           0.0804
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0484P)^2^+39.7210P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1684
_refine_ls_wR_factor_ref         0.2267
_reflns_number_gt                3832
_reflns_number_total             6217
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b601881e.txt
_cod_data_source_block           (11)-mar898
_cod_original_cell_volume        4458(6)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7007219
_exptl_absorpt_correction_max    1.00
_exptl_absorpt_correction_min    0.87