Crystallography Open Database

Information card for entry 1512428

Preview

Coordinates	1512428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H32 N8 O10 Zn2
Calculated formula	C48 H32 N8 O10 Zn2
Title of publication	Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate
Authors of publication	Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	16 - 24
a	19.0056 ± 0.0019 Å
b	9.6048 ± 0.001 Å
c	23.971 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4375.8 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1417
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1512428.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512428.cif
89357	2013-10-24	cif/ Adding structures of 1512428 via cif-deposit CGI script.	1512428.cif