Unexpected Formation of (Dimethylaminomethylene)methylamide Complexes from the Reactions between Metal Chlorides and Lithium Dimethylamide
Zhang, Xin-Hao; Chen, Shu-Jian; Cai, Hu; Im, Hee-Jung; Chen, Tianniu; Yu, Xianghua; Chen, Xuetai; Lin, Zhenyang; Wu, Yun-Dong; Xue, Zi-Ling; Organometallics 27 (2008) 1338–; doi:10.1021/om701173m

data_4070979
_publ_section_title
;
 Unexpected Formation of (Dimethylaminomethylene)methylamide Complexes
 from the Reactions between Metal Chlorides and Lithium Dimethylamide
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1338
_journal_paper_doi               10.1021/om701173m
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C12 H35 N6 Ta'
_chemical_formula_weight         445.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.835(3)
_cell_length_b                   9.835(3)
_cell_length_c                   9.835(3)
_cell_measurement_temperature    293(2)
_cell_volume                     951.3(5)
_computing_cell_refinement       'SMART, Bruker (1997)'
_computing_data_collection       'SMART, Bruker (1997)'
_computing_data_reduction        'XPREP, Bruker (1997)'
_computing_molecular_graphics    'SHELXTL, Bruker (1997)'
_computing_publication_material  'SHELXTL, Bruker (1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0101
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4518
_diffrn_reflns_theta_full        26.27
_diffrn_reflns_theta_max         26.27
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    5.778
_exptl_absorpt_correction_T_max  0.5958
_exptl_absorpt_correction_T_min  0.4065
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (1997)'
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             446
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.274
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     12
_refine_ls_number_reflns         123
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0143
_refine_ls_R_factor_gt           0.0143
_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^)+(0.0304P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0370
_refine_ls_wR_factor_ref         0.0370
_reflns_number_gt                123
_reflns_number_total             123
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om701173m-file004.cif
_cod_data_source_block           tacubic
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        951.2(5)
_cod_original_sg_symbol_H-M      Im-3m
_cod_database_code               4070979