Targeting cancer cell metabolism with mitochondria-immobilized phosphorescent cyclometalated iridium(iii) complexes
Cao, Jian-Jun; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Yao, De-Yang; Liu, Xing-Guo; Ji, Liang-Nian; Mao, Zong-Wan; Chem. Sci. 8 (2017) 631–; doi:10.1039/C6SC02901A

data_1543947
_publ_section_title
;
 Targeting cancer cell metabolism with mitochondria-immobilized
 phosphorescent cyclometalated iridium(iii) complexes
;
_journal_issue                   1
_journal_name_full               'Chem. Sci.'
_journal_page_first              631
_journal_paper_doi               10.1039/C6SC02901A
_journal_volume                  8
_journal_year                    2017
_chemical_formula_moiety         'C34 H22 Cl2 F4 Ir N4, F6 P, C3 H6 O'
_chemical_formula_sum            'C37 H28 Cl2 F10 Ir N4 O P'
_chemical_formula_weight         1028.70
_chemical_name_common            1
_chemical_name_systematic        Ir1
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-02-06 deposited with the CCDC.
2016-08-22 downloaded from the CCDC.
;
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_cell_angle_gamma                97.527(3)
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_cell_length_b                   13.0767(5)
_cell_length_c                   14.3976(6)
_cell_measurement_temperature    150(2)
_cell_volume                     1886.41(14)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CrysAlisPro, Agilent Technologies'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_Laue_measured_fraction_full 0.976
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_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13777
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.081
_diffrn_reflns_theta_max         67.081
_diffrn_reflns_theta_min         3.213
_exptl_absorpt_coefficient_mu    9.338
_exptl_absorpt_correction_T_max  0.204
_exptl_absorpt_correction_T_min  0.114
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick,1996)'
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_refine_ls_R_factor_all          0.0377
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0386P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.0774
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5943
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6sc02901a2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 1543947--1543949.cif.'
_cod_original_cell_volume        1886.41(13)
_cod_database_code               1543947
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_shelx_res_checksum              98799