<i>catena</i>-Poly[lithium(I)-μ-1-<i>tert</i>-butyl-3-(3-pyridyl)-<i>N</i>,<i>N</i>'-bis(trimethylsilyl)propane-1,3-diiminato]
Xia Chen; Li Wang; Jian-Ping Guo; Shu-Ping Huang; Dian-Sheng Liu; Acta Crystallographica Section E 61 (2005) m574–m576; doi:10.1107/S1600536805005210

data_2205279
_publ_section_title
<i>catena</i>-Poly[lithium(I)-\m-1-<i>tert</i>-butyl-3-(3-pyridyl)-<i>N</i>,<i>N</i>'-bis(trimethylsilyl)propane-1,3-diiminato]
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m574
_journal_page_last               m576
_journal_paper_doi               10.1107/S1600536805005210
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Li (C18 H32 N3 Si2)]'
_chemical_formula_moiety         'C18 H32 Li N3 Si2'
_chemical_formula_sum            'C18 H32 Li N3 Si2'
_chemical_formula_weight         353.59
_chemical_name_systematic
;
catena-Poly[lithium(I)-\m-1-tert-butyl-3-(3-pyridyl)-N,N'-bis(trimethylsilyl)
propane-1,3-diiminato]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 115.690(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.398(4)
_cell_length_b                   18.283(6)
_cell_length_c                   11.659(4)
_cell_measurement_reflns_used    1413
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      27.448
_cell_measurement_theta_min      2.440
_cell_volume                     2189.5(13)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1999)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      190(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SMART CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0675
_diffrn_reflns_av_sigmaI/netI    0.1460
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8928
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        2.02
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.166
_exptl_absorpt_correction_T_max  0.9676
_exptl_absorpt_correction_T_min  0.9519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2000)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.073
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.245
_refine_diff_density_min         -0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.838
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3845
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.838
_refine_ls_R_factor_all          0.1180
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0002P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0593
_refine_ls_wR_factor_ref         0.0654
_reflns_number_gt                1749
_reflns_number_total             3845
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg6142.cif
_cod_data_source_block           I
_cod_original_cell_volume        2189.3(13)
_cod_original_sg_symbol_Hall     '-p 2yn'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2205279
_cod_database_fobs_code          2205279