Synthesis and characterization of a series of sterically-hindered amidines and their lithium and magnesium complexes
Schmidt, Joseph A. R.; Arnold, John; Journal of the Chemical Society, Dalton Transactions  (2002) 2890–; doi:10.1039/b202235b

data_7011614
_publ_section_title
;
 Synthesis and characterization of a series of sterically-hindered
 amidines and their lithium and magnesium complexes
;
_journal_issue                   14
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2890
_journal_paper_doi               10.1039/b202235b
_journal_year                    2002
_chemical_formula_moiety         'C62 H78 Mg N4 '
_chemical_formula_sum            'C62 H78 Mg N4'
_chemical_formula_weight         903.63
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Sat Mar  6 16:05:19 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 98.319(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.048(2)
_cell_length_b                   15.578(2)
_cell_length_c                   25.560(3)
_cell_measurement_reflns_used    1863
_cell_measurement_temperature    153.2
_cell_measurement_theta_max      40.0
_cell_measurement_theta_min      3.0
_cell_volume                     6322.7(14)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.052d'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      153.2
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0895
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11483
_diffrn_reflns_theta_max         20.82
_diffrn_reflns_theta_min         1.5
_exptl_absorpt_coefficient_mu    0.063
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.949
_exptl_crystal_description       plate
_exptl_crystal_F_000             1960.00
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.85
_refine_diff_density_min         -0.34
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   4.741
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         1289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.175
_refine_ls_R_factor_gt           0.1332
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.1618
_reflns_number_gt                1289
_reflns_number_total             3473
_reflns_threshold_expression     I>3.00sigma
_cod_data_source_file            b202235b.txt
_cod_data_source_block           (LMe)2Mg_7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 102 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        6323(1)
_cod_original_sg_symbol_H-M      'C 2/c      '
_cod_original_formula_sum        'C62 H78 Mg N4 '
_cod_database_code               7011614