Crystallography Open Database

Information card for entry 4507828

Preview

Coordinates	4507828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H58 N9 Ni2 O8
Calculated formula	C78 H58 N10 Ni2 O8
Title of publication	Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine
Authors of publication	Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2462
a	10.496 ± 0.003 Å
b	16.263 ± 0.004 Å
c	19.895 ± 0.005 Å
α	70.954 ± 0.004°
β	81.123 ± 0.005°
γ	87.101 ± 0.004°
Cell volume	3171.6 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1149
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1743
Weighted residual factors for all reflections included in the refinement	0.2029
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179614 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/78.	4507828.cif
87105	2013-07-14	cif/ Adding structures of 4507828 via cif-deposit CGI script.	4507828.cif