Photoactive Ru(II) Complexes With Dioxinophenanthroline Ligands Are Potent Cytotoxic Agents.
Hidayatullah, Achmad N.; Wachter, Erin; Heidary, David K.; Parkin, Sean; Glazer, Edith C.; Inorganic chemistry 53 (2014) 10030–10032; doi:10.1021/ic5017164

data_4341099
_publ_section_title
;
 Photoactive Ru(II) Complexes With Dioxinophenanthroline Ligands Are
 Potent Cytotoxic Agents.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10030
_journal_page_last               10032
_journal_paper_doi               10.1021/ic5017164
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C34 H26 N6 O2 Ru, 2(F6 P), C H2 Cl2'
_chemical_formula_sum            'C70 H56 Cl4 F24 N12 O4 P4 Ru2'
_chemical_formula_weight         2053.08
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_cell_angle_alpha                111.438(1)
_cell_angle_beta                 91.109(1)
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_cell_length_a                   8.7027(2)
_cell_length_b                   13.4517(3)
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_cell_measurement_reflns_used    9953
_cell_measurement_temperature    90.0(2)
_cell_measurement_theta_max      68.18
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_cell_volume                     1900.21(7)
_computing_cell_refinement       'APEX2 (Bruker-AXS, 2006)'
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_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
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'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'
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_diffrn_ambient_temperature      90.0(2)
_diffrn_detector_area_resol_mean 5.6
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_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker X8 Proteum diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_unetI/netI     0.0297
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23646
_diffrn_reflns_point_group_measured_fraction_full 0.976
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_diffrn_reflns_theta_min         2.697
_diffrn_source                   'fine-focus rotating anode'
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_exptl_absorpt_correction_T_max  0.521
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            red
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_exptl_crystal_description       rod
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.873
_refine_diff_density_min         -1.430
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         6737
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0527
_refine_ls_R_factor_gt           0.0503
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0679P)^2^+9.0591P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1431
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6375
_reflns_number_total             6737
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5017164_si_003.cif
_cod_data_source_block           x13264
_cod_depositor_comments
'Adding full bibliography for 4341099--4341101.cif.'
_cod_database_code               4341099
_shelx_estimated_absorpt_t_min   0.469
_shelx_estimated_absorpt_t_max   0.785
_shelxl_version_number           2013-4
_shelx_res_checksum              60893
_shelx_hkl_checksum              97625