Novel iridium complexes with N-heterocyclic dicarbene ligands in light-driven water oxidation catalysis: photon management, ligand effect and catalyst evolution.
Volpe, Andrea; Natali, Mirco; Graiff, Claudia; Sartorel, Andrea; Tubaro, Cristina; Bonchio, Marcella; Dalton transactions (Cambridge, England : 2003) 49 (2020) 2696–2705; doi:10.1039/c9dt04841c

data_7703458
_publ_section_title
;
 Novel iridium complexes with N-heterocyclic dicarbene ligands in
 light-driven water oxidation catalysis: photon management, ligand effect
 and catalyst evolution.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2696
_journal_page_last               2705
_journal_paper_doi               10.1039/c9dt04841c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C20 H27 Br2 Cl F6 Ir N4 P'
_chemical_formula_weight         855.89
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2019-12-17 deposited with the CCDC.	2020-02-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'APEX-II (2008)'
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'PARST M. Nardelli, J.Appl.Crystallogr.1995,28,659'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0353P)^2^+4.5883P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5527
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7703458--7703459.cif.
;
_cod_original_cell_volume        2587.2(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7703458
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              26940