Crystallography Open Database

Information card for entry 4507820

Preview

Coordinates	4507820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H24 Cu N2 O8
Calculated formula	C38 H24 Cu N2 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	15.4331 ± 0.0016 Å
b	12.9048 ± 0.0013 Å
c	15.7762 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3142 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0532
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	4507820.cif
87097	2013-07-14	cif/ Adding structures of 4507820 via cif-deposit CGI script.	4507820.cif