Crystallography Open Database

Information card for entry 1515552

Preview

Coordinates	1515552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Cu2 O14
Calculated formula	C32 H4 Cu2 O14
Title of publication	Asymmetric catalytic reactions by NbO-type chiral metal‒organic frameworks
Authors of publication	Jeong, Kyung Seok; Go, Yong Bok; Shin, Sung Min; Lee, Suk Joong; Kim, Jaheon; Yaghi, Omar M.; Jeong, Nakcheol
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	5
Pages of publication	877
a	30.1892 ± 0.0002 Å
b	30.1892 ± 0.0002 Å
c	30.1892 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	27514.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	211
Hermann-Mauguin space group symbol	I 4 3 2
Hall space group symbol	I 4 2 3
Residual factor for all reflections	0.1328
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1891
Weighted residual factors for all reflections included in the refinement	0.2227
Goodness-of-fit parameter for all reflections included in the refinement	0.741
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515552.cif
111860	2014-04-28	cif/ Adding structures of 1515552 via cif-deposit CGI script.	1515552.cif