Syntheses and structural studies of lithium complexes of 2-amino-6-methylpyridine †
Jones, Cameron; Junk, Peter C.; Leary, Stuart G.; Smithies, Neil A.; Journal of the Chemical Society, Dalton Transactions  (2000) 3186–; doi:10.1039/b004322m

data_7009914
_publ_section_title
;
 Syntheses and structural studies of lithium complexes of
 2-amino-6-methylpyridine&#x200A;&#x2020;
;
_journal_issue                   18
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3186
_journal_paper_doi               10.1039/b004322m
_journal_year                    2000
_chemical_formula_sum            'C32 H52 Li4 N8 O4 Si4'
_chemical_formula_weight         752.94
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.880(4)
_cell_angle_beta                 97.690(5)
_cell_angle_gamma                102.459(4)
_cell_formula_units_Z            2
_cell_length_a                   10.766(2)
_cell_length_b                   11.486(2)
_cell_length_c                   18.049(4)
_cell_measurement_temperature    293(2)
_cell_volume                     2149.0(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0783
_diffrn_reflns_av_sigmaI/netI    0.1164
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9728
_diffrn_reflns_theta_full        23.35
_diffrn_reflns_theta_max         23.35
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.180
_exptl_absorpt_correction_T_max  0.9683
_exptl_absorpt_correction_T_min  0.9513
_exptl_crystal_density_diffrn    1.164
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.283
_refine_diff_density_min         -0.468
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       0.0040(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.933
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         6152
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.933
_refine_ls_R_factor_all          0.1361
_refine_ls_R_factor_gt           0.0701
_refine_ls_shift/su_max          0.153
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1053P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1657
_refine_ls_wR_factor_ref         0.2068
_reflns_number_gt                3075
_reflns_number_total             6152
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b004322m.txt
_cod_data_source_block           pj021
_cod_original_cell_volume        2148.9(8)
_cod_database_code               7009914