Photoassistance in Reactions of the cis- (Bis(2,2'-bipyridyl))(carbonyl)(formyl)ruthenium(II) Cation with Protic Reagents
Dorothy H. Gibson; Yan Ding; Bradley A. Sleadd; Jaime O. Franco; John F. Richardson; Mark S. Mashuta; Journal of the American Chemical Society 118 (1996) 11984–11985; doi:10.1021/ja962168j

data_4117210
_publ_contact_author
;
Dorothy H. Gibson
Department of Chemistry and Center for Chemical Catalysis
University of Louisville
Louisville
KY  40292
USA
;
_publ_contact_author_fax         (502)852-5977
_publ_contact_author_phone       (502)852-5977
_publ_section_title
;
 Photoassistance in Reactions of the cis-
 (Bis(2,2'-bipyridyl))(carbonyl)(formyl)ruthenium(II) Cation with Protic
 Reagents
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11984
_journal_page_last               11985
_journal_paper_doi               10.1021/ja962168j
_journal_volume                  118
_journal_year                    1996
_chemical_formula_sum            'C43 H32 F12 N8 O4 P2 Ru2'
_chemical_formula_weight         1216.85
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_audit_creation_date             'Fri Jun 28 06:18:22 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.690(6)
_cell_length_b                   13.690(6)
_cell_length_c                   24.464(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      36.0
_cell_measurement_theta_min      30.0
_cell_volume                     4585(3)
_computing_cell_refinement       'Enraf Nonius Diffractometer Control, 1988'
_computing_data_collection       'Enraf Nonius Diffractometer Control, 1988'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      296(2)
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_orient_matrix_UB_11      0.05804
_diffrn_orient_matrix_UB_12      0.01280
_diffrn_orient_matrix_UB_13      0.02338
_diffrn_orient_matrix_UB_21      0.01870
_diffrn_orient_matrix_UB_22      -0.06979
_diffrn_orient_matrix_UB_23      -0.00258
_diffrn_orient_matrix_UB_31      0.03938
_diffrn_orient_matrix_UB_32      0.01441
_diffrn_orient_matrix_UB_33      -0.03334
_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  0.065
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            4588
_diffrn_reflns_theta_max         24.97
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.831
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.810
_exptl_absorpt_correction_type   psi-scans
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2416.00
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.00
_refine_diff_density_min         -1.34
_refine_ls_goodness_of_fit_obs   2.70
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     332
_refine_ls_number_reflns         1875
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.062
_refine_ls_shift/esd_max         2.53
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.062
_reflns_number_observed          1875
_reflns_number_total             4081
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ja962168j.cif
_cod_data_source_block           compound#5_JA962168J-160
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/\s^2^(F)' 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^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4583(2)
_cod_original_sg_symbol_H-M      'P 43 21 2 '
_cod_database_code               4117210