Dichloro(tetrahydrofuran-<i>O</i>)[(trimethylsilyl)amido-<i>N</i>]gallium(III)
Pickett, Nigel L.; Just, Oliver; VanDerveer, Donald G.; Rees Jr, William S.; Acta Crystallographica Section C 56 (2000) 560–561; doi:10.1107/S010827010000247X

data_2010882
_publ_section_title
Dichloro(tetrahydrofuran-<i>O</i>)[(trimethylsilyl)amido-<i>N</i>]gallium(III)
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              560
_journal_page_last               561
_journal_paper_doi               10.1107/S010827010000247X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Ga (C3 H10 N Si) Cl2 (C4 H8 O)]'
_chemical_formula_structural     '[Cl2GaN(H)SiMe3]THF'
_chemical_formula_sum            'C7 H18 Cl2 Ga N O Si'
_chemical_formula_weight         300.93
_chemical_name_common
;
((Trimethylsilyl)amino)gallium dichloride THF
;
_chemical_name_systematic
;
Dichloro(tetrahydrofuran-O)[(trimethylsilyl)amido-N]gallium(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.9180(10)
_cell_angle_beta                 83.1940(10)
_cell_angle_gamma                77.3080(10)
_cell_formula_units_Z            4
_cell_length_a                   9.4539(2)
_cell_length_b                   11.8134(3)
_cell_length_c                   12.8999(3)
_cell_measurement_reflns_used    7048
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      1.59
_cell_volume                     1395.02(6)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_measurement_device_type  'Siemens SMART 1K CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .024
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12575
_diffrn_reflns_theta_max         28.36
_diffrn_standards_decay_%        negligible
_diffrn_standards_number         147
_exptl_absorpt_coefficient_mu    2.41
_exptl_absorpt_correction_T_max  .563
_exptl_absorpt_correction_T_min  .392
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             616
_exptl_crystal_size_max          .442
_exptl_crystal_size_mid          .289
_exptl_crystal_size_min          .238
_refine_diff_density_max         .96
_refine_diff_density_min         -.51
_refine_ls_extinction_coef       .0004(5)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     261
_refine_ls_number_reflns         6380
_refine_ls_R_factor_gt           .038
_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0514P)^2^+0.8048P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .108
_reflns_number_gt                4826
_reflns_number_total             6380
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bk1507.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2010882
_cod_database_fobs_code          2010882