Di-μ-chloro-bis{chloro[(4a,5,6,7,8,8a-η^6^)-1,2,3,4-tetrahydronaphthalene]ruthenium(II)}
Mark Bown; Martin A. Bennett; Acta Crystallographica Section C 55 (1999) 852–854; doi:10.1107/S0108270199002589

data_2008647
_publ_section_title
Di-\m-chloro-bis{chloro[(4a,5,6,7,8,8a-\h^6^)-1,2,3,4-tetrahydronaphthalene]ruthenium(II)}
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              852
_journal_page_last               854
_journal_paper_doi               10.1107/S0108270199002589
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Ru2 Cl4 (C10 H12)2]'
_chemical_formula_moiety         'C20 H24 Cl4 Ru2'
_chemical_formula_sum            'C20 H24 Cl4 Ru2'
_chemical_formula_weight         608.36
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.02(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.552(2)
_cell_length_b                   18.013(3)
_cell_length_c                   8.057(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      13.4
_cell_measurement_theta_min      10.4
_cell_volume                     1058.6(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1994)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1995)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'PATTY in DIRDIF92 (Beurskens et al., 1992)'
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC-6S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_av_sigmaI/netI    0.030
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2099
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        -0.91
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.934
_exptl_absorpt_correction_T_max  0.808
_exptl_absorpt_correction_T_min  0.643
_exptl_absorpt_correction_type   '\y scans (North et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.908
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.792
_refine_ls_goodness_of_fit_ref   1.916
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    11
_refine_ls_number_parameters     117
_refine_ls_number_reflns         1528
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.038
_refine_ls_R_factor_gt           0.027
_refine_ls_shift/esd_max         0.0002
_refine_ls_shift/esd_mean        1.2260
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.036
_refine_ls_wR_factor_ref         0.035
_reflns_number_gt                1528
_reflns_number_total             1947
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ta1223.cif
_cod_data_source_block           TA1223
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00010|Fo|^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^2^(Fo) + 0.00010|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1058.6(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2008647