Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III) Complexes via Two-Photon Lifetime Imaging
Hao, Liang; Li, Zhi-Wei; Zhang, Dong-Yang; He, Liang; Liu, Wen-Ting; Jing, Yang; Tan, Caiping; Ji, Liang-Nian; Mao, Zong-Wan; Chemical Science  (2019) –; doi:10.1039/C8SC04242J

data_1550330
_publ_section_title
;
 Monitor Mitochondrial Viscosity with Anticancer Phosphorescent Ir(III)
 Complexes via Two-Photon Lifetime Imaging
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C8SC04242J
_journal_year                    2019
_chemical_formula_sum            'C50 H38 F6 Ir N2 O2 P3'
_chemical_formula_weight         1097.93
_chemical_name_systematic
; 
 ? 
;
_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
_audit_update_record
;
2018-04-24 deposited with the CCDC.
2018-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 108.427(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.4083(5)
_cell_length_b                   13.0416(3)
_cell_length_c                   20.5524(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4426.8(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.868
_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  0.0385
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            30936
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.18
_diffrn_reflns_theta_min         3.29
_exptl_absorpt_coefficient_mu    3.193
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2176
_refine_diff_density_max         2.072
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         11407
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0351
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0211P)^2^+3.2271P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0673
_refine_ls_wR_factor_ref         0.0727
_reflns_number_gt                9113
_reflns_number_total             11407
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8sc04242j3.cif
_cod_data_source_block           17032403
_cod_original_cell_volume        4426.79(18)
_cod_database_code               1550330