Structure of the heteronuclear cluster [Au~2~Ru~4~(μ~3~-H)(μ-H)(μ-Ph~2~PC=CHPPh~2~)(CO)~12~]
Adatia, T.; Acta Crystallographica Section C 49 (1993) 1926–1929; doi:10.1107/S0108270193006432

data_2001214
_publ_section_title
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 Structure of the heteronuclear cluster
 [Au~2~Ru~4~(\m~3~-H)(\m-H)(\m-Ph~2~PC=CHPPh~2~)(CO)~12~]
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_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1926
_journal_page_last               1929
_journal_paper_doi               10.1107/S0108270193006432
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C38 H24 Au2 O12 P2 Ru4'
_chemical_formula_sum            'C38 H24 Au2 O12 P2 Ru4'
_chemical_formula_weight         1532.8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_atom_type_scat_source
' inlaid except for Au and Ru (Cromer & Mann, 1968)'
_cell_angle_alpha                90
_cell_angle_beta                 97.828(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   33.673(4)
_cell_length_b                   12.275(2)
_cell_length_c                   23.057(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      'approx 10'
_cell_volume                     9441(2)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5965
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        <5
_diffrn_standards_interval_time  360
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.23
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    2.16
_exptl_crystal_description       Prism
_exptl_crystal_F_000             5696
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.51
_refine_ls_goodness_of_fit_obs   1.723
_refine_ls_hydrogen_treatment    'See text'
_refine_ls_number_parameters     234
_refine_ls_number_reflns         3377
_refine_ls_R_factor_obs          0.0603
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0605
_reflns_number_observed          3396
_reflns_number_total             5560
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            al0555.cif
_cod_data_source_block           al0555_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        9441.5
_cod_database_code               2001214