Crystallography Open Database

Information card for entry 7216345

Preview

Coordinates	7216345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H80 N12 Ni3 O30
Calculated formula	C80 H80 N12 Ni3 O30
Title of publication	Syntheses, structures, and magnetic properties of six coordination polymers based on 4,5-di(4′-carboxylphenyl)phthalic acid and different bis(imidazole) bridging linkers
Authors of publication	Fan, Liming; Gao, Yan; Liu, Guangzeng; Fan, Weiliu; Song, Weikuo; Sun, Liming; Zhao, Xian; Zhang, Xiutang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	33
Pages of publication	7649
a	7.7686 ± 0.0011 Å
b	13.6512 ± 0.0007 Å
c	19.8766 ± 0.0011 Å
α	99.25 ± 0.003°
β	94.563 ± 0.003°
γ	97.512 ± 0.003°
Cell volume	2051.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0836
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
180494 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/63.	7216345.cif
121611	2014-08-08	cif/ Updating files of 7216341, 7216342, 7216343, 7216344, 7216345, 7216346 Original log message: Adding full bibliography for 7216341--7216346.cif.	7216345.cif
115567	2014-06-04	cif/ Adding structures of 7216345 via cif-deposit CGI script.	7216345.cif