Crystallography Open Database

Information card for entry 7707938

Preview

Coordinates	7707938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 Cl7 Ir N2 O3
Calculated formula	C25 H28 Cl7 Ir N2 O3
Title of publication	Iridium(i) complexes bearing hemilabile coumarin-functionalised N-heterocyclic carbene ligands with application as alkyne hydrosilylation catalysts.
Authors of publication	Karataş, Mert Olgun; Alıcı, Bülent; Passarelli, Vincenzo; Özdemir, Ismail; Pérez-Torrente, Jesús J; Castarlenas, Ricardo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11206 - 11215
a	15.4363 ± 0.0011 Å
b	16.3179 ± 0.0012 Å
c	12.9166 ± 0.0009 Å
α	90°
β	113.89 ± 0.001°
γ	90°
Cell volume	2974.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0555
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268735 (current)	2021-09-06	cif/ Updating files of 7707938, 7707939 Original log message: Adding full bibliography for 7707938--7707939.cif.	7707938.cif
267904	2021-08-03	cif/ Adding structures of 7707938, 7707939 via cif-deposit CGI script.	7707938.cif