Bis(μ-<i>N</i>-<i>n</i>-propyl-<i>N</i>-trimethylsilylbenzamidinato)bis[(diethyl ether-<i>O</i>)lithium]
Boyd, Catherine L.; Tyrrell, Ben R.; Mountford, Philip; Acta Crystallographica Section E 58 (2002) m597–m598; doi:10.1107/S1600536802017579

data_2201306
_publ_section_title
;Bis(\m-<i>N</i>-<i>n</i>-propyl-<i>N</i>-trimethylsilylbenzamidinato)bis[(diethyl
 ether-<i>O</i>)lithium]
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m597
_journal_page_last               m598
_journal_paper_doi               10.1107/S1600536802017579
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Li2 (C13 H22 N2 Si)2 (C4 H10 O)2]'
_chemical_formula_moiety         'C34 H62 Li2 N4 O2 Si2'
_chemical_formula_sum            'C34 H62 Li2 N4 O2 Si2'
_chemical_formula_weight         628.94
_chemical_name_systematic
;
Bis(\m-N-n-propyl-N-trimethylsilylbenzamidinato)bis[(diethyl ether-O)lithium]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                106.59(3)
_cell_angle_beta                 96.05(3)
_cell_angle_gamma                99.38(3)
_cell_formula_units_Z            1
_cell_length_a                   8.4111(17)
_cell_length_b                   10.486(2)
_cell_length_c                   11.774(2)
_cell_measurement_reflns_used    3991
_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      5
_cell_volume                     969.2(4)
_computing_cell_refinement       DENZO
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 2001)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Watkin et al., 2001)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Enraf-Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.02
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7923
_diffrn_reflns_theta_full        23.594
_diffrn_reflns_theta_max         27.514
_diffrn_reflns_theta_min         5.115
_exptl_absorpt_coefficient_mu    0.124
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.97
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.078
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             344.000
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.39
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0541
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         4117
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0463
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Prince modified Chebychev polynomial (Watkin, 1994),
W = [weight][1-(\DF/6\sF)^2^]^2^, with
-0.679 -2.35 -1.48 -0.984 -0.429
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0424
_reflns_number_gt                2907
_reflns_number_total             4372
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt6195.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

'_atom_sites_solution_hydrogens' value 'geometric' was changed to
'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_database_code               2201306