(Methyldiphenylphosphine)(trimethylsiloxy)gold(I)
Bauer, A.; Schier, A.; Schmidbaur, H.; Acta Crystallographica Section C 51 (1995) 2030–2032; doi:10.1107/S0108270195003775

data_2004012
_publ_section_title
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 (Methyldiphenylphosphine)(trimethylsiloxy)gold(I)
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_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2030
_journal_page_last               2032
_journal_paper_doi               10.1107/S0108270195003775
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'see text'
_chemical_formula_sum            'C16 H22 Au O P Si'
_chemical_formula_weight         486.38
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabC
_cell_angle_alpha                110.790(10)
_cell_angle_beta                 99.180(10)
_cell_angle_gamma                103.870(10)
_cell_formula_units_Z            2
_cell_length_a                   6.1900(10)
_cell_length_b                   12.2780(10)
_cell_length_c                   14.1100(10)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    296
_cell_measurement_theta_max      17
_cell_measurement_theta_min      13
_cell_volume                     937.3(2)
_computing_cell_refinement       'Enraf-Nonius CAD-4 software'
_computing_data_collection
'Enraf-Nonius CAD-4 software (Enraf-Nonius, 1989)'
_computing_data_reduction        'SDP (Enraf-Nonius, 1988)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  SHELXTL-Plus
_computing_structure_solution    'SHELXTL-Plus (Sheldrick, 1989)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q-\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .042
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -07
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -015
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4056
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        -025.9
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.97
_exptl_absorpt_correction_T_max  .999
_exptl_absorpt_correction_T_min  .477
_exptl_absorpt_correction_type   'empirical, \y scan'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_description       needle
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .22
_exptl_crystal_size_min          .10
_refine_diff_density_max         1.08
_refine_diff_density_min         -01.12
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.24
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3202
_refine_ls_R_factor_obs          .0277
_refine_ls_shift/esd_max         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .0303
_reflns_number_observed          3202
_reflns_number_total             3741
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            jz1043.cif
_cod_data_source_block           jz1043a
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        937.3
_cod_database_code               2004012