[(Carbazolylmethyl)dimethylamine-<i>N</i>]trimethylgallium
Gu, W.; Pan, Y.; Shen, Y.; Huang, X.; Sun, H.; Sun, X.; Acta Crystallographica Section C 53 (1997) 190–191; doi:10.1107/S0108270196011705

data_2005914
_publ_section_title
;
 [(Carbazolylmethyl)dimethylamine-<i>N</i>]trimethylgallium
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              190
_journal_page_last               191
_journal_paper_doi               10.1107/S0108270196011705
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Ga(CH~3~)~3~(C~15~H~16~N~2~)]'
_chemical_formula_moiety         'C18 H25 Ga N2'
_chemical_formula_structural     'C18 H25 Ga N2'
_chemical_formula_sum            'C18 H25 Ga N2'
_chemical_formula_weight         339.13
_chemical_melting_point          431(2)
_chemical_name_systematic
;
Trimethyl[9-(dimethylaminomethyl)carbazole]gallium
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 109.73(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.932(2)
_cell_length_b                   10.032(8)
_cell_length_c                   15.309(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.88
_cell_measurement_theta_min      14.01
_cell_volume                     1724.9(14)
_computing_cell_refinement       'CAD4 Software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
'TEXSAN: PROCESS (Molecular Structure Corporation, 1987)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement
'TEXSAN LS (Molecular Structure Corporation, 1987)'
_computing_structure_solution    'MITHRIL (Gilmore, 1983)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device       'Enraf Nonius CAD-4 diffractometer'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.007
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3391
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.1
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.58
_exptl_absorpt_correction_T_max  0.575
_exptl_absorpt_correction_T_min  0.521
_exptl_absorpt_correction_type   '\y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.31
_exptl_crystal_description       'Rectangular parallelepiped'
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.95
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.42
_refine_ls_abs_structure_details ' ?'
_refine_ls_extinction_coef       3.57E-6
_refine_ls_goodness_of_fit_obs   1.40
_refine_ls_hydrogen_treatment    'All H-atom parameters refined'
_refine_ls_number_parameters     291
_refine_ls_number_reflns         2176
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.08
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w= 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.048
_reflns_number_observed          2297
_reflns_number_total             3241
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            bm1084.cif
_cod_data_source_block           TOZ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '156-160\%C' was changed to '431(2)'
- it was converted from degrees Celsius(C) to Kelvins(K), the average
value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

    Replacing possibly mistyped symmetry operator 'x,y,x' -> 'x,y,z'.

    Andrius Merkys
    2014-07-07

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w= 1/\s^2^(F~o~)' 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~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1725.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2005914