Theoretical Crystallography Open Database

Information card for entry 20001803

20001802 << 20001803 >> 20001804

Preview

Coordinates	20001803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 O10 Sn2
Calculated formula	C8 H16 O5 Sn
Title of publication	A polymer dataset for accelerated property prediction and design
Authors of publication	Huan, Tran Doan; Mannodi-Kanakkithodi, Arun; Kim, Chiho; Sharma, Vinit; Pilania, Ghanshyam; Ramprasad, Rampi
Journal of publication	Sci. Data
Year of publication	2016
Journal volume	3
Pages of publication	160012
a	8.7114015 Å
b	8.7114015 Å
c	11.79126917 Å
α	118.525°
β	118.525°
γ	41.552°
Cell volume	510.276 Å³
Number of distinct elements	4
Hermann-Mauguin symmetry space group	P 1
Hall symmetry space group	P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
1554 (current)	2016-03-07	cif/ Adding structures of 20001803 via cif-deposit CGI script.	20001803.cif