[AuCo~3~Ru(C~8~H~11~P)(C~18~H~15~P)(CO)~11~].1/2CH~2~Cl~2~
Kakkonen, H. J.; Ahlgrèn, M.; Pakkanen, T. A.; Pursiainen, J.; Acta Crystallographica Section C 50 (1994) 528–530; doi:10.1107/S0108270193009710

data_2009574
_publ_section_title
;
 [AuCo~3~Ru(C~8~H~11~P)(C~18~H~15~P)(CO)~11~].1/2CH~2~Cl~2~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              528
_journal_page_last               530
_journal_paper_doi               10.1107/S0108270193009710
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C37 H26 Au1 Co3 O11 P2 Ru1,C1 H2 Cl2'
_chemical_formula_sum            'C37 H26 Au Co3 O11 P2 Ru'
_chemical_formula_weight         1225.8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.79(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   20.182(6)
_cell_length_b                   9.062(3)
_cell_length_c                   24.028(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      7.5
_cell_volume                     4394(2)
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            11682
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.941
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.853
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.3
_refine_diff_density_min         -0.8
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.51
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     472
_refine_ls_number_reflns         5179
_refine_ls_R_factor_obs          0.050
_refine_ls_shift/esd_max         0.3
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0005(F)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.058
_reflns_number_observed          5179
_reflns_number_total             10089
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            ab1078.cif
_cod_data_source_block           ab1078_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.0005(F)^2^]' 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) +
0.0005(F)^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_original_formula_sum        'C37 H26 Au1 Co3 O11 P2 Ru1'
_cod_database_code               2009574