Crystallography Open Database

Information card for entry 7062268

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Coordinates	7062268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Cl Ir N2
Calculated formula	C27 H30 Cl Ir N2
Title of publication	Cyclometallated iridium NHC complexes containing self-isomerised ligands as catalysts for hydrosilylation and transfer hydrogenation reactions
Authors of publication	van Vuuren, Estefan; Malan, Frederick P.; Landman, Marilé
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	11
Pages of publication	5203 - 5215
a	8.9025 ± 0.0001 Å
b	26.1483 ± 0.0003 Å
c	20.4947 ± 0.0002 Å
α	90°
β	90.26 ± 0.001°
γ	90°
Cell volume	4770.81 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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