Crystallography Open Database

Information card for entry 7231992

7231991 << 7231992 >> 7231993

Preview

Coordinates	7231992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cl F6 Ir N3 O P
Calculated formula	C20 H26 Cl F6 Ir N3 O P
Title of publication	A bifunctional strategy for N-heterocyclic carbene-stabilized iridium complex-catalyzed N-alkylation of amines with alcohols in aqueous media
Authors of publication	Huang, Ming; Li, Yinwu; Liu, Jiahao; Lan, Xiao-Bing; Liu, Yan; Zhao, Cunyuan; Ke, Zhuofeng
Journal of publication	Green Chemistry
Year of publication	2019
Journal volume	21
Journal issue	2
Pages of publication	219
a	13.5409 ± 0.0007 Å
b	12.9814 ± 0.0008 Å
c	13.6168 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2393.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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/7231992.html