Steric and electronic effects on acetate-assisted cyclometallation of 2-phenylpyridines at [MCl<sub>2</sub>Cp*]<sub>2</sub> (M = Ir, Rh).
Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa; Dalton transactions (Cambridge, England : 2003) 49 (2020) 2680–2686; doi:10.1039/c9dt04581c

data_7703477
_publ_section_title
;
 Steric and electronic effects on acetate-assisted cyclometallation of
 2-phenylpyridines at [MCl<sub>2</sub>Cp*]<sub>2</sub> (M = Ir, Rh).
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2680
_journal_page_last               2686
_journal_paper_doi               10.1039/c9dt04581c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C21 H22 Cl F N Rh'
_chemical_formula_sum            'C21 H22 Cl F N Rh'
_chemical_formula_weight         445.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-02-04 deposited with the CCDC.	2020-02-06 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SMART'
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_diffrn_measurement_device_type  'Bruker Apex 2000 CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 1.000
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;
absoprtion correction based on 9289 reflections(SADABS);rint 0.0713 before
correction and 0.0356 after.
;
_exptl_crystal_colour            orange
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_exptl_crystal_size_min          0.15
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_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0311
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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^)+(0.0369P)^2^+0.2995P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0724
_refine_ls_wR_factor_ref         0.0747
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3184
_reflns_number_total             3586
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           18040
_cod_depositor_comments
'Adding full bibliography for 7703476--7703478.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7703477
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