DNA Condensation Induced by Ruthenium(II) Polypyridyl Complexes [Ru(bpy)2(PIPSH)]2+ and [Ru(bpy)2(PIPNH)]2+
Bin Sun; Jing-Xin Guan; Li Xu; Bo-Le Yu; Long Jiang; Jun-Feng Kou; Li Wang; Xi-Dong Ding; Hui Chao; Liang-Nian Ji; Inorganic Chemistry 48 (2009) 4637–4639; doi:10.1021/ic900102r

data_4302198
_publ_contact_author_email       ceschh@mail.sysu.edu.cn
_publ_contact_author_fax         86-20-84035497
_publ_contact_author_phone       86-20-84134058
_publ_section_title
;
DNA Condensation Induced by Ruthenium(II) Polypyridyl Complexes
[Ru(bpy)2(PIPSH)]2+ and [Ru(bpy)2(PIPNH)]2+
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4637
_journal_page_last               4639
_journal_paper_doi               10.1021/ic900102r
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C324 H303 Cl6 N57 O56 Ru6 S6'
_chemical_formula_weight         6902.71
_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                94.190(2)
_cell_angle_beta                 108.212(2)
_cell_angle_gamma                96.603(2)
_cell_formula_units_Z            2
_cell_length_a                   22.2632(4)
_cell_length_b                   23.6753(5)
_cell_length_c                   30.5695(6)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      60.15
_cell_measurement_theta_min      2.11
_cell_volume                     15102.4(6)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'Gemini S Ultra'
_diffrn_measurement_method       '\w and \p scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            82581
_diffrn_reflns_theta_full        60.15
_diffrn_reflns_theta_max         60.15
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    3.979
_exptl_absorpt_correction_T_max  0.3132
_exptl_absorpt_correction_T_min  0.2734
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7112
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.38
_refine_diff_density_max         2.529
_refine_diff_density_min         -3.454
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     4120
_refine_ls_number_reflns         42602
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.1490
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1521P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1952
_refine_ls_wR_factor_ref         0.2977
_reflns_number_gt                12349
_reflns_number_total             42602
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900102r_si_002.cif
_cod_data_source_block           RuPIPS
_cod_original_cell_volume        15102.4(5)
_cod_database_code               4302198