Chloro(dimethylphenylphosphine)gold(I)
Cookson, P. D.; Tiekink, E. R. T.; Acta Crystallographica Section C 49 (1993) 1602–1603; doi:10.1107/S0108270193002707

data_2001373
_publ_contact_author
;
                                       Dr ERT Tiekink,
                                       Department of Physical and
                                       Inorganic Chemistry,
                                       University of Adelaide,
                                       G.P.O. Box 498,
                                       Adelaide, S.A. 5001,
                                       AUSTRALIA
;
_publ_section_title
;
 Chloro(dimethylphenylphosphine)gold(I)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1602
_journal_page_last               1603
_journal_paper_doi               10.1107/S0108270193002707
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C8 H11 Au Cl P'
_chemical_formula_sum            'C8 H11 Au Cl P'
_chemical_formula_weight         370.6
_chemical_melting_point          405.6(5)
_chemical_name_systematic        chloro[(dimethylphenylphosphine)]gold(I)
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.639(4)
_cell_length_b                   16.931(6)
_cell_length_c                   9.458(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      12.8
_cell_measurement_theta_min      8.0
_cell_volume                     2023.9(12)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1992)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1992)'
_computing_publication_material  'TEXSAN FINISH'
_computing_structure_refinement  'TEXSAN LS'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      25.0
_diffrn_measurement_device       AFC-6R
_diffrn_measurement_method       '\w/2-\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  4.58
_diffrn_reflns_av_sigmaI/netI    0.044
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3015
_diffrn_reflns_reduction_process 'texsan: PROCESS'
_diffrn_reflns_theta_max         25.3
_diffrn_reflns_theta_min         3.0
_diffrn_standards_decay_%        -2.26
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_correction_T_max  1.058
_exptl_absorpt_correction_T_min  0.945
_exptl_absorpt_correction_type   'refdelf (Walker & Stuart, 1983)'
_exptl_absorpt_process_details   'Walker & Stuart DIFABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.432
_exptl_crystal_description       block
_exptl_crystal_F_000             1360.00
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.93
_refine_diff_density_min         -0.98
_refine_ls_goodness_of_fit_obs   2.380
_refine_ls_hydrogen_treatment    'H atoms included in calculated positions'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         1608
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0350
_refine_ls_shift/esd_max         0.0070
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0390
_reflns_number_observed          1608
_reflns_number_total             2143
_reflns_observed_criterion       I>3.0\s(I)
_cod_data_source_file            as1052.cif
_cod_data_source_block           as1052_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '132 - 133 C' was changed to
'405.6(5)' - 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 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '132 - 133 C' was changed to
'405.6(5)' - 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 
;
_cod_original_cell_volume        2024.0(10)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_database_code               2001373