Mitochondria-specific phosphorescent imaging and tracking in living cells with an AIPE-active iridium(III) complex
Yu Chen; Liping Qiao; Bole Yu; Guanying Li; Liangnian Ji; Hui Chao; Chem.Commun. 49 (2013) 11095–; doi:10.1039/c3cc46957c

data_7110044
_publ_section_title
;
 Mitochondria-specific phosphorescent imaging and tracking in living cells
 with an AIPE-active iridium(III) complex
;
_journal_name_full               Chem.Commun.
_journal_page_first              11095
_journal_paper_doi               10.1039/c3cc46957c
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C38 H22 Ir N6 S2 Se, F6 P, C H2 Cl2'
_chemical_formula_sum            'C39 H24 Cl2 F6 Ir N6 O0 P S2 Se'
_chemical_formula_weight         1127.79
_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                74.243(3)
_cell_angle_beta                 81.025(3)
_cell_angle_gamma                85.881(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1798(3)
_cell_length_b                   12.2585(3)
_cell_length_c                   17.5678(6)
_cell_measurement_reflns_used    15416
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      66.8419
_cell_measurement_theta_min      2.6380
_cell_volume                     1878.43(10)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0821
_diffrn_reflns_av_sigmaI/netI    0.0514
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24208
_diffrn_reflns_theta_full        60.00
_diffrn_reflns_theta_max         60
_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        none
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    11.366
_exptl_absorpt_correction_T_max  0.711
_exptl_absorpt_correction_T_min  0.138
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.994
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1092
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.168
_refine_diff_density_min         -1.353
_refine_diff_density_rms         0.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         5582
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+70.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1466
_refine_ls_wR_factor_ref         0.1480
_reflns_number_gt                5273
_reflns_number_total             5582
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc46957c.txt
_cod_data_source_block           Irbtp
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7110044