Crystallography Open Database

Information card for entry 7212803

Preview

Coordinates	7212803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 Cu N4 O5.5 S
Calculated formula	C26 H18 Cu N4 O5.5 S
Title of publication	Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks
Authors of publication	Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	12
Pages of publication	4378
a	18.175 ± 0.003 Å
b	8.735 ± 0.0015 Å
c	30.413 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4828.3 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1488
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7212803.cif
93286	2014-01-12	cif/ Adding structures of 7212802, 7212803, 7212804, 7212805 via cif-deposit CGI script.	7212803.cif