Theoretical Crystallography Open Database

Information card for entry 20001798

20001797 << 20001798 >> 20001799

Preview

Coordinates	20001798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 O8 Sn2
Calculated formula	C8 H4 O4 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	4.46010964 Å
b	7.535405 Å
c	11.22023046 Å
α	92.1433°
β	101.466°
γ	107.211°
Cell volume	351.153 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
1548 (current)	2016-03-07	cif/ Adding structures of 20001798 via cif-deposit CGI script.	20001798.cif