Bis(η^5^-methylcyclopentadienyl)chromium, [Cr(C~6~H~7~)~2~]
Benetollo, F.; Camporese, A.; Rossetto, G.; Acta Crystallographica Section C 50 (1994) 1002–1003; doi:10.1107/S0108270193013009

data_2009883
_publ_section_title
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 Bis(\h^5^-methylcyclopentadienyl)chromium, [Cr(C~6~H~7~)~2~]
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1002
_journal_page_last               1003
_journal_paper_doi               10.1107/S0108270193013009
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C12 H14 Cr1'
_chemical_formula_sum            'C12 H14 Cr'
_chemical_formula_weight         210.24
_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                 102.71(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.281(2)
_cell_length_b                   7.728(2)
_cell_length_c                   11.159(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      18
_cell_measurement_theta_min      13
_cell_volume                     1033.1(4)
_diffrn_measurement_device       'Philips PW1100'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2891
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  180
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.06
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   'empirical (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            'transparent red'
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.52
_refine_ls_goodness_of_fit_obs   1.009
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     125
_refine_ls_number_reflns         2010
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F~o~) + 0.002777(F~o~^2^)]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.044
_reflns_number_observed          2010
_reflns_number_total             2496
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            na1054.cif
_cod_data_source_block           na1054_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F~o~) +
0.002777(F~o~^2^)]^-1^' 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~) + 0.002777(F~o~^2^)]^-1^'.

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        'C12 H14 Cr1'
_cod_database_code               2009883