The [Ru~3~(CO)~11~]^2-^ dianion
Liu, Jianping; Boyd, Edwin P.; Shore, Sheldon G.; Acta Crystallographica Section C 55 (1999) 29–30; doi:10.1107/S010827019800883X

data_2008060
_publ_section_title
;
 The [Ru~3~(CO)~11~]^2-^ dianion
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              29
_journal_page_last               30
_journal_paper_doi               10.1107/S010827019800883X
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '(C19 H18 P)2 [Ru3 (C1 O1)11], C1 H2 Cl2'
_chemical_formula_moiety         '2(C19 H18 P 1+) , Ru3 (C O)11 2-, C H2 Cl2'
_chemical_formula_sum            'C50 H38 Cl2 O11 P2 Ru3'
_chemical_formula_weight         1250.85
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.920(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4860(10)
_cell_length_b                   21.276(4)
_cell_length_c                   25.266(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213.0(10)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      12
_cell_volume                     5080.5(14)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'XPREP in SHELXTL (Siemens, 1994)'
_computing_molecular_graphics    'XP in SHELXTL'
_computing_publication_material  'XCIF in SHELXTL'
_computing_structure_refinement  'XL in SHELXTL'
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_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  180
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    1.106
_exptl_absorpt_correction_T_max  0.801
_exptl_absorpt_correction_T_min  0.718
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            maroon
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.3
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_refine_diff_density_max         0.726
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_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0445P)^2^+11.2195P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.139
_refine_ls_wR_factor_ref         0.084
_reflns_number_gt                7020
_reflns_number_total             8908
_reflns_observed_criterion       I>2\s(I)
_reflns_threshold_expression     I
_cod_data_source_file            da1022.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (16
times).

'_geom_bond_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (94 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5081(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2008060
_cod_database_fobs_code          2008060