[Indenyllithium.2(N,N,N'-trimethylethylenediamine)]~\ιnfty~: N—H hydrogen bridges to the indenyl anion
Boche, Gernot; Ledig, Burkhard; Marsch, Michael; Harms, Klaus; Acta Crystallographica Section E 57 (2001) m570–m572; doi:10.1107/S1600536801018876

data_2200627
_publ_section_title
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 [Indenyllithium.2(N,N,N'-trimethylethylenediamine)]~\\infty~:
 N---H hydrogen bridges to the indenyl anion
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m570
_journal_page_last               m572
_journal_paper_doi               10.1107/S1600536801018876
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Li (C5 H14 N2)2] (C9 H7)'
_chemical_formula_moiety         'C10 H28 Li N4 1+, C9 H7 1-'
_chemical_formula_sum            'C19 H35 Li N4'
_chemical_formula_weight         326.45
_chemical_name_systematic
;
bis(N,N,N'-Trimethylethylenediamine)-lithium indenide
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.10(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.669(8)
_cell_length_b                   7.921(2)
_cell_length_c                   15.598(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      46.9
_cell_measurement_theta_min      39.8
_cell_volume                     2097.4(12)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1996)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full .998
_diffrn_measured_fraction_theta_max .998
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  .0583
_diffrn_reflns_av_sigmaI/netI    .0468
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2624
_diffrn_reflns_theta_full        54.96
_diffrn_reflns_theta_max         54.96
_diffrn_reflns_theta_min         5.21
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .463
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.034
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             720
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .20
_refine_diff_density_max         .107
_refine_diff_density_min         -.140
_refine_ls_extinction_coef       .0016(2)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     137
_refine_ls_number_reflns         1323
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          .0488
_refine_ls_R_factor_gt           .0401
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0452P)^2^+0.8262P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1138
_reflns_number_gt                1111
_reflns_number_total             1323
_reflns_threshold_expression     I>2\s(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2200627