Mono-amidinate complexes stabilized by a new sterically-hindered amidine†
Schmidt, Joseph A. R.; Arnold, John; Chemical Communications  (1999) 2149–; doi:10.1039/a905620c

data_7110650
_publ_section_title
;
 Mono-amidinate complexes stabilized by a new sterically-hindered
 amidine&#x2020;
;
_journal_issue                   21
_journal_name_full               'Chemical Communications'
_journal_page_first              2149
_journal_paper_doi               10.1039/a905620c
_journal_year                    1999
_chemical_formula_sum            'C37 H55 Li N4'
_chemical_formula_weight         562.81
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             'Mon Feb  8 08:41:30 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.7707(4)
_cell_length_b                   19.7667(5)
_cell_length_c                   20.3416(4)
_cell_measurement_reflns_used    7418
_cell_measurement_temperature    160.2
_cell_measurement_theta_max      45.0
_cell_measurement_theta_min      3.0
_cell_volume                     7145.4(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      160.2
_diffrn_measurement_device       'Siemens SMART CCD'
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34508
_diffrn_reflns_theta_max         26.10
_diffrn_reflns_theta_min         1.5
_exptl_absorpt_coefficient_mu    0.061
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.046
_exptl_crystal_description       block
_exptl_crystal_F_000             2464.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.230
_refine_diff_density_max         0.19
_refine_diff_density_min         -0.18
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.361
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         2561
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.056
_refine_ls_R_factor_obs          0.0399
_refine_ls_shift/esd_max         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0428
_reflns_number_observed          2561
_reflns_number_total             7118
_reflns_observed_criterion       '3.00 sigma'
_cod_data_source_file            905620csup1.cif
_cod_data_source_block           (dimb)Li(TMEDA)
_cod_original_cell_volume        7145.4(2)
_cod_original_sg_symbol_H-M      'P b c a    '
_cod_original_formula_sum        'C37 H55 Li N4 '
_cod_database_code               7110650