Theoretical Crystallography Open Database

Information card for entry 20001797

20001796 << 20001797 >> 20001798

Preview

Coordinates	20001797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 O8 Sn2
Calculated formula	C14 H10 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	7.03229818 Å
b	7.22060973 Å
c	11.26695019 Å
α	90.0002°
β	97.1563°
γ	99.7431°
Cell volume	559.333 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
1547 (current)	2016-03-07	cif/ Adding structures of 20001797 via cif-deposit CGI script.	20001797.cif