An iridium complex of tris(4-methoxyphenyl)phosphine
Bedford, R.B.; Chaloner, P.A.; Hitchcock, P.B.; Acta Crystallographica Section C 50 (1994) 354–356; doi:10.1107/S0108270193008819

data_2009533
_publ_section_title
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 An iridium complex of tris(4-methoxyphenyl)phosphine
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              354
_journal_page_last               356
_journal_paper_doi               10.1107/S0108270193008819
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C34 H38 Ir N O3 P,F6 P'
_chemical_formula_sum            'C34 H38 F6 Ir N O3 P2'
_chemical_formula_weight         876.8
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                104.63(2)
_cell_angle_beta                 97.21(2)
_cell_angle_gamma                105.98(2)
_cell_formula_units_Z            2
_cell_length_a                   9.821(2)
_cell_length_b                   12.576(3)
_cell_length_c                   15.068(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      10
_cell_measurement_theta_min      7
_cell_volume                     1692.6(8)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5930
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.4
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.09
_exptl_absorpt_correction_T_max  1.24
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   'using program DIFABS (Walker & Stuart, 1983)'
_exptl_crystal_colour            Red-orange
_exptl_crystal_density_diffrn    1.72
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.94
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   1.2
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     424
_refine_ls_number_reflns         5154
_refine_ls_R_factor_obs          0.033
_refine_ls_shift/esd_max         0.01
_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         0.040
_reflns_number_observed          5154
_reflns_number_total             5930
_reflns_observed_criterion       |F^2^|>2\s(F^2^)
_cod_data_source_file            ha1067.cif
_cod_data_source_block           ha1067_structure_1_of_1
_cod_depositor_comments
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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        1692.6
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2009533