Crystallography Open Database

Information card for entry 1516895

Preview

Coordinates	1516895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 N4 O7 Zn2
Calculated formula	C15 H9 N4 O7 Zn2
Title of publication	Two new three-dimensional metal-organic frameworks constructed from a semirigid V-shaped ligand with luminescent and topology studies
Authors of publication	Da Li; Jiayin Sun; Li Wang; Liying Zhang; Xiaohui Liu; Jianing Xu; Ping Zhang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	399
Pages of publication	154 - 159
a	8.495 ± 0.0017 Å
b	9.3854 ± 0.0019 Å
c	11.552 ± 0.002 Å
α	81.95 ± 0.03°
β	76.99 ± 0.03°
γ	69.9 ± 0.03°
Cell volume	840.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
192143 (current)	2017-02-15	cif/1/51/68/ Adding DOIs for entries 1516895 and 1516896.	1516895.cif
176729	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.	1516895.cif
119611	2014-07-08	cif/ Adding structures of 1516895 via cif-deposit CGI script.	1516895.cif