The synthesis and structure of heteroleptic tris(diimine)ruthenium(II) complexes.
Kepert, Christopher M.; Bond, Alan M.; Deacon, Glen B.; Spiccia, Leone; Skelton, Brian W.; White, Allan H.; Dalton transactions (Cambridge, England : 2003)  (2004) 1766–1774; doi:10.1039/b401761g

data_7014130
_publ_section_title
;
 The synthesis and structure of heteroleptic tris(diimine)ruthenium(II)
 complexes.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1766
_journal_page_last               1774
_journal_paper_doi               10.1039/b401761g
_journal_year                    2004
_chemical_formula_sum            'C35.5 H35 Cl2 N7 O9.5 Ru'
_chemical_formula_weight         883.69
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             02-12-13
_audit_creation_method           Xtal3.6
_cell_angle_alpha                94.6510(10)
_cell_angle_beta                 95.8800(10)
_cell_angle_gamma                95.3650(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9560(10)
_cell_length_b                   12.1980(10)
_cell_length_c                   16.5730(10)
_cell_measurement_temperature    293
_cell_volume                     1785.6(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXan
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    teXan
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
Enraf Nonius CCD Diffractometer'
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_sigmaI/netI    .207
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7876
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.19
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .658
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
?
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_description       'rectangular plate'
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_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.343
_refine_diff_density_min         -.561
_refine_ls_goodness_of_fit_all   1.093
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     538
_refine_ls_number_reflns         3566
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .17
_refine_ls_R_factor_gt           .064
_refine_ls_shift/su_max          .179
_refine_ls_shift/su_mean         .005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .14
_refine_ls_wR_factor_ref         .093
_reflns_d_resolution_high        .75
_reflns_d_resolution_low         6.377
_reflns_Friedel_coverage         0
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              16
_reflns_limit_k_min              -16
_reflns_limit_l_max              18
_reflns_limit_l_min              -19
_reflns_number_gt                3566
_reflns_number_total             7876
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            b401761g.txt
_cod_data_source_block           ck551a
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_original_formula_sum        'C35.5 H35 Cl2 N7 O9.5 Ru1'
_cod_database_code               7014130