Adduct of AlMe~3~ with Benzo[<i>f</i>]quinoline
Wang, X.-M.; Sun, H.-S.; Wang, S.-X.; Huang, X.-Y.; You, X.-Z.; Acta Crystallographica Section C 52 (1996) 35–37; doi:10.1107/S0108270195009681

data_2004349
_publ_contact_author
;
         Dr Hong-Sui Sun
     State Key Laboratory of Coordination Chemistry
     Coordination Chemistry Institute
     Nanjing University
     Nanjing 210093
     P. R. China
;
_publ_section_title
;
 Adduct of AlMe~3~ with Benzo[<i>f</i>]quinoline
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              35
_journal_page_last               37
_journal_paper_doi               10.1107/S0108270195009681
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Al(CH3)3 (C13 H9  N)]'
_chemical_formula_sum            'C16 H18 Al N'
_chemical_formula_weight         251.31
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 97.89(7)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.242(7)
_cell_length_b                   14.634(4)
_cell_length_c                   13.772(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.78
_cell_measurement_theta_min      9.98
_cell_volume                     1445.7(16)
_computing_cell_refinement       'CAD4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'process HKL'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'LS Fourier'
_computing_structure_solution    'MITHRIL (Gilmore, 1983)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2885
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        -9.6
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.118
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.15
_exptl_crystal_description       columnar
_exptl_crystal_F_000             536
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.11
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     163
_refine_ls_number_reflns         1794
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.073
_reflns_number_observed          1794
_reflns_number_total             2669
_reflns_observed_criterion       I>3.00\s(I)
_cod_data_source_file            as1192.cif
_cod_data_source_block           default
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

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 

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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F)]' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/[\s^2^(F)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1446(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004349