Crystallography Open Database

Information card for entry 2023272

2023271 << 2023272 >> 2023273

Preview

Coordinates	2023272.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(η^2^:η^2^-Cycloocta-1,5-diene)(η^6^-toluene)iridium(I) tri-μ-chlorido-bis({3-[(di-<i>tert</i>-butylphosphanyl)oxy]-9,10-dioxoanthracen-2-yl}hydridoiridium(III)) toluene monosolvate,
Formula	C66 H78 Cl3 Ir3 O6 P2
Calculated formula	C66 H78 Cl3 Ir3 O6 P2
Title of publication	Crystal structures of the (η2:η2-cycloocta-1,5-diene)(η6-toluene)iridium(I) cation and μ-chlorido-iridium(III) complexes of 2-(phosphinito)- and 2-(phosphinomethyl)anthraquinone ligands
Authors of publication	Thackeray, Sachin; Mahoney, James; Arrington, Ashleigh; Wilklow-Marnell, Miles; Brennessel, William W.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	10
Pages of publication	1101 - 1109
a	13.15698 ± 0.00017 Å
b	13.5836 ± 0.00018 Å
c	17.547 ± 0.0003 Å
α	88.5722 ± 0.0012°
β	87.003 ± 0.0012°
γ	79.7149 ± 0.0011°
Cell volume	3080.99 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294953 (current)	2024-10-01	cif/ Adding structures of 2023272, 2023273 via cif-deposit CGI script.	2023272.cif