Some Chemical Properties of Monochlorogallane: Decomposition to Gallium(I) Trichlorogallate(III), Ga+[GaCl3H]-, and Other Reactions
Emma Johnsen; Anthony J. Downs; Michael J. Goode; Timothy M. Greene; Hans-Jörg Himmel; Matthias Müller; Simon Parsons; Colin R. Pulham; Inorganic Chemistry 40 (2001) 4755–4761; doi:10.1021/ic010128x

data_4320174
_publ_contact_author_address
;
Inirganic Chemistry LAb
South Parks Rd
OXFORD OX1 3PD
;
_publ_contact_author_email       ' ejohnsen@jesus.ox.ac.uk '
_publ_contact_author_fax         ' 01865 272690 '
_publ_contact_author_name        'Emma Johnsen'
_publ_contact_author_phone       ' 01865 272697 '
_publ_section_title
;
 Some Chemical Properties of Monochlorogallane: Decomposition to
 Gallium(I) Trichlorogallate(III), Ga+[GaCl3H]-, and Other Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4755
_journal_page_last               4761
_journal_paper_doi               10.1021/ic010128x
_journal_volume                  40
_journal_year                    2001
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' H1 Ga2 Cl3 '
_chemical_formula_sum            'Cl3 Ga2 H'
_chemical_formula_weight         246.81
_chemical_melting_point          ?
_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
_audit_creation_date             98-08-11
_audit_creation_method           CRYSTALS_ver_07-07-97
_cell_angle_alpha                90.
_cell_angle_beta                 97.901993(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4.00
_cell_length_a                   5.730000(1)
_cell_length_b                   6.787000(1)
_cell_length_c                   14.508000(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    0
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     558.85167(13)
_computing_cell_refinement
;
DIP2000 software 'DENZO' (Otwinowski & Minor, 1996)
;
_computing_data_collection
;
DIP2000 software 'Xpress' (MAC Science, 1989)
;
_computing_data_reduction
;
DIP2000 software 'DENZO' (Otwinowski & Minor, 1996)
;
_computing_molecular_graphics
;
  CAMERON (Watkin, Prout & Pearce,  1996)
;
_computing_publication_material
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_refinement
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_ambient_temperature      0
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type
;
Enraf-nonius DIP2000
;
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            1181
_diffrn_reflns_theta_max         26.51
_diffrn_reflns_theta_min         1.42
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.90
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' none '
_exptl_crystal_density_diffrn    2.93
_exptl_crystal_density_meas      ?
_exptl_crystal_description       ' box '
_exptl_crystal_F_000             458.94
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.54
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_refine_ls_extinction_coef       24.9(27)
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_obs   1.0679
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     51
_refine_ls_number_reflns         888
_refine_ls_R_factor_obs          0.0294
_refine_ls_shift/su_max          0.037906
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
  Chebychev polynomial with   3 parameters (Carruthers & Watkin, 1979)
  1.53 0.641 1.16
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0348
_reflns_limit_h_max              6
_reflns_limit_h_min              -6
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_observed          888
_reflns_number_total             1096
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            ic010128x.cif
_cod_data_source_block           CRYSTALS_cif
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Monoclinic ' changed to 'monoclinic' according to the built-in table
from CIF Core dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        558.85
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        ' H1 Ga2 Cl3 '
_cod_database_code               4320174