Far-red luminescent ruthenium pyridylimine complexes; building blocks for multinuclear arrays.
Hotze, Anna C. G.; Faiz, Jonathan A.; Mourtzis, Nikolaos; Pascu, Gabriel I.; Webber, Philip R. A.; Clarkson, Guy J.; Yannakopoulou, Konstantina; Pikramenou, Zoe; Hannon, Michael J.; Dalton transactions (Cambridge, England : 2003)  (2006) 3025–3034; doi:10.1039/b518027a

data_7007136
_publ_section_title
;
 Far-red luminescent ruthenium pyridylimine complexes; building blocks
 for multinuclear arrays.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3025
_journal_page_last               3034
_journal_paper_doi               10.1039/b518027a
_journal_year                    2006
_chemical_formula_sum            'C33 H27 B Cl F4 N5 Ru'
_chemical_formula_weight         716.93
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.061(8)
_cell_angle_beta                 110.294(10)
_cell_angle_gamma                104.768(11)
_cell_formula_units_Z            2
_cell_length_a                   11.0703(12)
_cell_length_b                   11.8803(13)
_cell_length_c                   13.2873(15)
_cell_measurement_reflns_used    7523
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      28.371
_cell_measurement_theta_min      2.909
_cell_volume                     1569.9(3)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1994)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.868
_diffrn_measurement_device_type  'Siemens SMART diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0905
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            10104
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.98
_diffrn_reflns_theta_min         1.79
_diffrn_standards_decay_%        nil
_exptl_absorpt_coefficient_mu    0.640
_exptl_absorpt_correction_T_max  0.9045
_exptl_absorpt_correction_T_min  0.6988
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.143
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         7236
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0635
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+0.9993P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1336
_refine_ls_wR_factor_ref         0.1503
_reflns_number_gt                5155
_reflns_number_total             7236
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b518027a.txt
_cod_data_source_block           nm4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007136