Crystallography Open Database

Information card for entry 1512429

Preview

Coordinates	1512429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 N4 Ni O5
Calculated formula	C22 H16 N4 Ni O5
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	17.4754 ± 0.0017 Å
b	12.7417 ± 0.0012 Å
c	18.2221 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4057.4 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	1512429.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512429.cif
89358	2013-10-24	cif/ Adding structures of 1512429 via cif-deposit CGI script.	1512429.cif