Crystallography Open Database

Information card for entry 7058762

Preview

Coordinates	7058762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H9 As O3
Calculated formula	C5 H9 As O3
Title of publication	Pnictogen bonding with alkoxide cages: which pnictogen is best?
Authors of publication	Trubenstein, Henry J.; Moaven, Shiva; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	36
Pages of publication	14305
a	5.9923 ± 0.0018 Å
b	10.546 ± 0.003 Å
c	10.779 ± 0.003 Å
α	90°
β	100.379 ± 0.004°
γ	90°
Cell volume	670 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224940 (current)	2019-11-08	cif/ Updating files of 7058762, 7058763 Original log message: Adding full bibliography for 7058762--7058763.cif.	7058762.cif
217570	2019-08-17	cif/ Adding structures of 7058762, 7058763 via cif-deposit CGI script.	7058762.cif