Unexpected ortho C‒H bond activation in coordinated 7,8-benzoquinoline: synthesis and characterisation of heteroleptic Ir(iii)-7,8-benzoquinoline complexes
Pradhan, Kahnu Charan; Kisan, Hemanta K.; Pal, Satyanarayan; RSC Advances 11 (2021) 12578–12582; doi:10.1039/D1RA00860A

data_7242573
_publ_section_title
;
 Unexpected ortho C--H bond activation in coordinated 7,8-benzoquinoline:
 synthesis and characterisation of heteroleptic Ir(iii)-7,8-benzoquinoline
 complexes
;
_journal_issue                   21
_journal_name_full               'RSC Advances'
_journal_page_first              12578
_journal_page_last               12582
_journal_paper_doi               10.1039/D1RA00860A
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C32 H22 Cl Ir N4 O'
_chemical_formula_sum            'C32 H22 Cl Ir N4 O'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-12-17 deposited with the CCDC.	2021-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Ortep-3 V2014.1 (Farrugia,2014)'
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_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  MoK\a
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1568
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         26.412
_diffrn_reflns_theta_min         2.457
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    5.231
_exptl_absorpt_correction_type   none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0197P)^2^+2.8671P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7242573
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.303
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_shelx_res_checksum              82119