Reactivity of GaX3 with silylamines and thermal decomposition of the compounds [Cl2Ga{NH(SiMe3)}]2 and [Cl3Ga{NH(SiMe3)2}]
Carmalt, Claire J.; Mileham, John D.; White, Andrew J. P.; Williams, David J.; Dalton Transactions  (2003) 4255–; doi:10.1039/b307763m

data_7013429
_publ_section_title
;
 Reactivity of GaX3 with silylamines and thermal decomposition of the
 compounds [Cl2Ga{NH(SiMe3)}]2 and [Cl3Ga{NH(SiMe3)2}]
;
_journal_issue                   22
_journal_name_full               'Dalton Transactions'
_journal_page_first              4255
_journal_paper_doi               10.1039/b307763m
_journal_year                    2003
_chemical_formula_sum            'C8 H20 Cl4 Ga2 N2'
_chemical_formula_weight         425.50
_chemical_name_systematic
; 
? 
;
_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
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 96.286(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.4619(10)
_cell_length_b                   11.8491(15)
_cell_length_c                   10.730(2)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.38
_cell_measurement_theta_min      5.59
_cell_volume                     816.6(2)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       '\w scans'
_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  0.0555
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1490
_diffrn_reflns_theta_max         63.95
_diffrn_reflns_theta_min         5.58
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.898
_exptl_absorpt_correction_T_max  0.1196
_exptl_absorpt_correction_T_min  0.0230
_exptl_absorpt_correction_type   Ellipsoidal
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_description       prisms
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.653
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       0.0324(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.206
_refine_ls_goodness_of_fit_obs   1.208
_refine_ls_matrix_type           full
_refine_ls_number_parameters     78
_refine_ls_number_reflns         1348
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.402
_refine_ls_restrained_S_obs      1.207
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_obs          0.0345
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+0.6039P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1070
_refine_ls_wR_factor_obs         0.0928
_reflns_number_observed          1343
_reflns_number_total             1361
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b307763m.txt
_cod_data_source_block           Compound_8
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+0.6039P] where P=(Fo^2^+2Fc^2^)/3' 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^(Fo^2^)+(0.0528P)^2^+0.6039P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        816.7(2)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C8 H20 N2 Cl4 Ga2'
_cod_database_code               7013429