Coligand tuning of the DNA binding properties of bioorganometallic (η6-arene)ruthenium(II) complexes of the type [(η6-arene)Ru(amino acid)(dppz)]n+ (dppz = dipyrido[3,2-a:2',3'-c]phenazine), n = 1‒3
André Frodl; Diran Herebian; William S. Sheldrick; J. Chem. Soc., Dalton Trans.  (2002) 3664–3673; doi:10.1039/b203569n

data_7011752
_publ_section_title
;
 Coligand tuning of the DNA binding properties of bioorganometallic
 (\h6-arene)ruthenium(II) complexes of the type [(\h6-arene)Ru(amino
 acid)(dppz)]n+&#x00A0;(dppz = dipyrido[3,2-a:2',3'-c]phenazine),
 n&#x00A0;= 1--3
;
_journal_issue                   19
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              3664
_journal_page_last               3673
_journal_paper_doi               10.1039/b203569n
_journal_year                    2002
_chemical_formula_sum            'C31 H28 Cl F3 N4 O3 Ru S'
_chemical_formula_weight         730.15
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.54(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9378(18)
_cell_length_b                   9.6093(19)
_cell_length_c                   35.235(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      20.0
_cell_volume                     3012.1(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       '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  0.0394
_diffrn_reflns_av_sigmaI/netI    0.0759
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            5640
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.29
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.738
_exptl_absorpt_correction_T_max  0.136
_exptl_absorpt_correction_T_min  0.118
_exptl_absorpt_correction_type   semi-empirical
_exptl_crystal_colour            yellow-brown
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.703
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         5284
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.1137
_refine_ls_R_factor_gt           0.0593
_refine_ls_shift/su_max          0.048
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0774P)^2^+1.5679P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1342
_refine_ls_wR_factor_ref         0.1593
_reflns_number_gt                3266
_reflns_number_total             5284
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b203569n.txt
_cod_data_source_block           af1
_cod_original_cell_volume        3012.0(10)
_cod_database_code               7011752