Bis[(tricarbonyl)(η^5^-ethoxycarbonylcyclopentadienyl)chromio]mercury
Song, L.-C.; Hu, Q.-M.; Wang, R.-J.; Wang, H.-G.; Acta Crystallographica Section C 50 (1994) 1592–1594; doi:10.1107/S0108270194005597

data_2010117
_publ_section_title
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 Bis[(tricarbonyl)(\h^5^-ethoxycarbonylcyclopentadienyl)chromio]mercury
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_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1592
_journal_page_last               1594
_journal_paper_doi               10.1107/S0108270194005597
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C22 H18 Cr2 Hg O10'
_chemical_formula_weight         746.96
_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           IntTabIV
_cell_angle_alpha                94.37(5)
_cell_angle_beta                 99.82(3)
_cell_angle_gamma                112.22(5)
_cell_formula_units_Z            1
_cell_length_a                   6.390(3)
_cell_length_b                   7.521(4)
_cell_length_c                   13.842(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.0(10)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     599.5(5)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2318
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        -15.7
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    7.31
_exptl_absorpt_correction_T_max  1.427
_exptl_absorpt_correction_T_min  0.326
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.07
_exptl_crystal_description       block
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.10
_refine_diff_density_min         3.07
_refine_ls_goodness_of_fit_obs   3.02
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     163
_refine_ls_number_reflns         1606
_refine_ls_R_factor_obs          0.080
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = unit'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.088
_reflns_number_observed          1606
_reflns_number_total             2108
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            mu1112.cif
_cod_data_source_block           mu1112_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = unit' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w = unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        600.0(10)
_cod_original_formula_sum        'C22 H18 Cr2 Hg1 O10'
_cod_database_code               2010117