Crystallography Open Database

Information card for entry 1514800

Preview

Coordinates	1514800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Cu N5 O4
Calculated formula	C21 H18 Cu N5 O4
Title of publication	A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions
Authors of publication	Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	9
Pages of publication	3678
a	9.93 ± 0.002 Å
b	9.3445 ± 0.0019 Å
c	22.717 ± 0.006 Å
α	90°
β	106.94 ± 0.03°
γ	90°
Cell volume	2016.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.2335
Residual factor for significantly intense reflections	0.1033
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2574
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1514800.cif
110268	2014-04-18	cif/ Adding structures of 1514798, 1514799, 1514800 via cif-deposit CGI script.	1514800.cif