Novel meta-benzothiazole and benzimidazole functionalised POCOP-Ni(ii) pincer complexes as efficient catalysts in the production of diarylketones
Castillo-García, Antonio A.; González-Sebastián, Lucero; Lomas-Romero, Leticia; Hernandez-Ortega, Simon; Toscano, Ruben A.; Morales-Morales, David; New Journal of Chemistry 45 (2021) 10204–10216; doi:10.1039/D1NJ01348C

data_7060618
_publ_section_title
;
 Novel meta-benzothiazole and benzimidazole functionalised POCOP-Ni(ii)
 pincer complexes as efficient catalysts in the production of
 diarylketones
;
_journal_issue                   23
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10204
_journal_page_last               10216
_journal_paper_doi               10.1039/D1NJ01348C
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C29 H43 Cl N2 Ni O2 P2, C H4 O'
_chemical_formula_sum            'C30 H47 Cl N2 Ni O3 P2'
_chemical_formula_weight         639.79
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-02-11 deposited with the CCDC.	2021-04-28 downloaded from the CCDC.
;
_cell_angle_alpha                75.0000(10)
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_cell_angle_gamma                84.2150(10)
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_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.20
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_cell_volume                     1607.17(7)
_computing_cell_refinement       'APEX2 V2012 (Bruker, 2012)'
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX2 CCD area detector'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0225P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4513
_reflns_number_total             5794
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj01348c2.cif
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_cod_depositor_comments
'Adding full bibliography for 7060618--7060619.cif.'
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