Crystallography Open Database

Information card for entry 7112082

7112081 << 7112082 >> 7112083

Preview

Coordinates	7112082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H88 As Li N3 P2
Calculated formula	C47 H88 As Li N3 P2
Title of publication	Direct access to [(MesP)2As]-, a 1,3-diphosphaarsa-2-allyl anion, isoelectronic with the allyl anion (Mes = 2,4,6^-t^Bu3C6H2)
Authors of publication	Lily S. H. Dixon; Lucy K. Allen; Robert J. Less; Dominic S. Wright
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3007
a	16.5585 ± 0.0003 Å
b	19.2337 ± 0.0003 Å
c	18.1616 ± 0.0004 Å
α	90°
β	103.881 ± 0.001°
γ	90°
Cell volume	5615.21 ± 0.18 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.2213
Weighted residual factors for all reflections included in the refinement	0.2471
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7112082.cif
180234	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112082.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112082.cif
104432	2014-03-11	cif/ Adding structures of 7112082, 7112083 via cif-deposit CGI script.	7112082.cif