Bis(tricarbonyl-η^5^-methylcyclopentadienylchromium)(<i>Cr</i>—<i>Cr</i>)
Chen, W.; Goh, L.Y.; Tay, M.S.; Acta Crystallographica Section C 50 (1994) 1874–1875; doi:10.1107/S0108270194005585

data_2010320
_publ_section_title
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 Bis(tricarbonyl-\h^5^-methylcyclopentadienylchromium)(<i>Cr</i>---<i>Cr</i>)
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1874
_journal_page_last               1875
_journal_paper_doi               10.1107/S0108270194005585
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C18 H14 Cr2 O6'
_chemical_formula_sum            'C18 H14 Cr2 O6'
_chemical_formula_weight         430.30
_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                79.031(7)
_cell_angle_beta                 81.474(8)
_cell_angle_gamma                64.451(7)
_cell_formula_units_Z            1
_cell_length_a                   7.5371(7)
_cell_length_b                   7.7348(7)
_cell_length_c                   8.5907(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      16
_cell_measurement_theta_min      14
_cell_volume                     442.35(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  'None to average'
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2164
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        '-0.0134% h^-1^'
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.23
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.755
_exptl_absorpt_correction_type
;empirical (\y-scans; North, Phillips &
Mathews, 1968)
;
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_description       'chunky parallelepiped'
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.30
_refine_ls_extinction_method     'none ?'
_refine_ls_goodness_of_fit_obs   0.587
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1735
_refine_ls_R_factor_obs          0.030
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s(F)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.035
_reflns_number_observed          1735
_reflns_number_total             2011
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1098.cif
_cod_data_source_block           mu1098_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s(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(F)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        442.40(10)
_cod_database_code               2010320