Crystallography Open Database

Information card for entry 2023273

2023272 << 2023273 >> 2023274

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Coordinates	2023273.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-chlorido-bis(carbonyl{3-[(di-<i>tert</i>-butylphosphanyl)oxy]-9,10-dioxoanthracen-2-yl}hydridoiridium(I))
Formula	C48 H54 Cl2 Ir2 O6 P2
Calculated formula	C48 H54 Cl2 Ir2 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	8.8215 ± 0.0003 Å
b	12.1331 ± 0.0004 Å
c	14.4895 ± 0.0003 Å
α	81.5747 ± 0.0019°
β	84.576 ± 0.002°
γ	76.465 ± 0.003°
Cell volume	1488.57 ± 0.08 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 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	0.0298
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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