Structure of [Ru(η^6^-C~7~H~8~)(acetylacetonato)Cl]
Toerien, J. G.; Dillen, J. L. M.; Acta Crystallographica Section C 49 (1993) 1762–1764; doi:10.1107/S0108270193003002

data_2001298
_publ_section_title
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 Structure of [Ru(\h^6^-C~7~H~8~)(acetylacetonato)Cl]
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_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1762
_journal_page_last               1764
_journal_paper_doi               10.1107/S0108270193003002
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H15 Cl O2 Ru'
_chemical_formula_weight         327.8
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.080(3)
_cell_length_b                   11.667(7)
_cell_length_c                   7.80010(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      18
_cell_measurement_theta_min      7
_cell_volume                     1190.3(8)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2039
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        0.3
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.49
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.847
_exptl_absorpt_correction_type   'empirical (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            'dark orange'
_exptl_crystal_density_diffrn    1.82
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.76
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.86
_refine_diff_density_min         -1.52
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_number_parameters     104
_refine_ls_number_reflns         1555
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s(F~o~)^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.025
_reflns_number_observed          1555
_reflns_number_total             1682
_reflns_observed_criterion       I>\s(I)
_cod_data_source_file            ha1028.cif
_cod_data_source_block           ha1028_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~o~)^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~o~)^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1195.0(10)
_cod_original_formula_sum        'C12 H15 Cl1 O2 Ru1'
_cod_database_code               2001298