Derivatives of dipyrido[3,2-a:2',3'-c]phenazine and its ruthenium complexes, influence of arylic substitution on photophysical properties.
Schäfer, Bernhard; Görls, Helmar; Presselt, Martin; Schmitt, Michael; Popp, Jürgen; Henry, William; Vos, Johannes G.; Rau, Sven; Dalton transactions (Cambridge, England : 2003)  (2006) 2225–2231; doi:10.1039/b512773d

data_7006671
_publ_section_title
;
 Derivatives of dipyrido[3,2-a:2',3'-c]phenazine and its ruthenium
 complexes, influence of arylic substitution on photophysical
 properties.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2225
_journal_page_last               2231
_journal_paper_doi               10.1039/b512773d
_journal_year                    2006
_chemical_formula_sum            'C58 H62 Br2 F12 N10 P2 Ru'
_chemical_formula_weight         1450.01
_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                91.617(1)
_cell_angle_beta                 97.359(1)
_cell_angle_gamma                98.611(1)
_cell_formula_units_Z            2
_cell_length_a                   12.7435(3)
_cell_length_b                   15.0747(3)
_cell_length_c                   16.6350(4)
_cell_measurement_temperature    183(2)
_cell_volume                     3129.95(12)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + omega-scan'
_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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22044
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.91
_exptl_absorpt_coefficient_mu    1.660
_exptl_absorpt_correction_T_max  0.9676
_exptl_absorpt_correction_T_min  0.9519
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.672
_refine_diff_density_min         -1.039
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     760
_refine_ls_number_reflns         14161
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0670
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0904P)^2^+10.7115P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1695
_refine_ls_wR_factor_ref         0.1922
_reflns_number_gt                10601
_reflns_number_total             14161
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512773d.txt
_cod_data_source_block           FO1978_1
_cod_original_cell_volume        3129.9(1)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006671