Pyrazole appended quinoline-BODIPY based arene ruthenium complexes: their anticancer activity and potential applications in cellular imaging.
Paitandi, Rajendra Prasad; Sharma, Vinay; Singh, Vishwa Deepak; Dwivedi, Bhupendra Kumar; Mobin, Shaikh M.; Pandey, Daya Shankar; Dalton transactions (Cambridge, England : 2003) 47 (2018) 17500–17514; doi:10.1039/c8dt02947d

data_7048111
_publ_section_title
;
 Pyrazole appended quinoline-BODIPY based arene ruthenium complexes: their
 anticancer activity and potential applications in cellular imaging.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17500
_journal_page_last               17514
_journal_paper_doi               10.1039/c8dt02947d
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C32 H30 B Cl F8 N5 O P Ru'
_chemical_formula_sum            'C32 H30 B Cl F8 N5 O P Ru'
_chemical_formula_weight         830.91
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-09 deposited with the CCDC.
2018-11-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.016(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   16.0418(18)
_cell_length_c                   14.7750(18)
_cell_measurement_reflns_used    11640
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.1345
_cell_measurement_theta_min      3.3525
_cell_volume                     3261.8(6)
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
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_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32109
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.307
_diffrn_reflns_theta_min         1.480
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker, 1997'
_exptl_crystal_colour            BROWN
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_description       BLOCK
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_exptl_crystal_size_max          0.33
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_refine_diff_density_min         -0.544
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8096
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0350P)^2^+3.3143P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0757
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6782
_reflns_number_total             8096
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02947d2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7048109--7048111.cif.'
_cod_database_code               7048111
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              91297