Photocytotoxicity of a New Rh2(II,II) Complex: Increase in Cytotoxicity upon Irradiation Similar to That of PDT Agent Hematoporphyrin
Alfredo M. Angeles-Boza; Patricia M. Bradley; Patty K.-L. Fu; Mikhail Shatruk; Matthew G. Hilfiger; Kim R. Dunbar; Claudia Turro; Inorganic Chemistry 44 (2005) 7262–7264; doi:10.1021/ic0500715

data_4309717
_publ_section_title
;
Photocytotoxicity of a New Rh2(II,II) Complex: Increase in Cytotoxicity
upon Irradiation Similar to That of PDT Agent Hematoporphyrin
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7262
_journal_page_last               7264
_journal_paper_doi               10.1021/ic0500715
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C36 H39 B Cl F4 N6 O8 Rh2'
_chemical_formula_weight         1011.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.368(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.855(2)
_cell_length_b                   20.514(4)
_cell_length_c                   16.602(2)
_cell_measurement_temperature    383(2)
_cell_volume                     4037.4(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      383(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0795
_diffrn_reflns_av_sigmaI/netI    0.0659
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            46469
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    0.960
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2036
_refine_diff_density_max         1.900
_refine_diff_density_min         -1.083
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       0.00008(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     583
_refine_ls_number_reflns         9275
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.189
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0248P)^2^+27.9110P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1270
_reflns_number_gt                6225
_reflns_number_total             9275
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0500715si20050117_125923.cif
_cod_data_source_block           f:\struct~1\matt\mh004\work\p21_n
_cod_original_cell_volume        4037.5(12)
_cod_database_code               4309717