[Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~
Kirchner, K.; Schmid, R.; Mereiter, K.; Acta Crystallographica Section C 51 (1995) 361–364; doi:10.1107/S0108270194005688

data_2003265
_publ_section_title
;
 [Ru(\h^5^-C~5~H~5~)(\h^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and
 [Ru(\h^5^-C~5~H~5~)(\h^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              361
_journal_page_last               364
_journal_paper_doi               10.1107/S0108270194005688
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C13 H18 As F6 O P Ru'
_chemical_formula_weight         511.24
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           International_Tables_Vol_IV_Table_2.2B
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_cell_angle_alpha                90.00000
_cell_angle_beta                 93.84(1)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   8.421(2)
_cell_length_b                   11.421(2)
_cell_length_c                   17.431(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      26
_cell_measurement_theta_min      14
_cell_volume                     1672.7(6)
_diffrn_measurement_device       'Philips PW1100 diffractometer'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  0.011
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            4087
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        1.2
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.03
_exptl_absorpt_correction_T_max  0.52
_exptl_absorpt_correction_T_min  0.46
_exptl_absorpt_correction_type   'by Gaussian integration from crystal shape'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.030
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.59
_refine_ls_extinction_coef       'x = 0.00204(7)'
_refine_ls_extinction_method     'SHELX76 (Sheldrick, 1976)'
_refine_ls_goodness_of_fit_obs   1.31
_refine_ls_hydrogen_treatment
'H-atom positions refined with riding model (C'
_refine_ls_number_parameters     232
_refine_ls_number_reflns         2888
_refine_ls_R_factor_obs          0.026
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=[\s^2^(F~o~)+0.0002F~o~^2^]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.030
_reflns_number_observed          2888
_reflns_number_total             3657
_reflns_observed_criterion       '[F~o~ > 6\s(F~o~)]'
_cod_data_source_file            ka1055.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=[\s^2^(F~o~)+0.0002F~o~^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=[\s^2^(F~o~)+0.0002F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2003265