Crystallography Open Database

Information card for entry 4515770

Preview

Coordinates	4515770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Cl Ir P2
Calculated formula	C14 H28 Cl Ir P2
Title of publication	Rational Design of a Catalyst for the Selective Monoborylation of Methane
Authors of publication	Ahn, Seihwan; Sorsche, Dieter; Berritt, Simon; Gau, Michael R.; Mindiola, Daniel J.; Baik, Mu-Hyun
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	11
Pages of publication	10021
a	7.1256 ± 0.0002 Å
b	13.4641 ± 0.0004 Å
c	8.7896 ± 0.0003 Å
α	90°
β	102.373 ± 0.001°
γ	90°
Cell volume	823.69 ± 0.04 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0194
Residual factor for significantly intense reflections	0.0163
Weighted residual factors for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.0349
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4515770.html