Crystallography Open Database

Information card for entry 4509964

Preview

Coordinates	4509964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 N2 O4 Zn
Calculated formula	C24 H16 N2 O4 Zn
Title of publication	Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties
Authors of publication	Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	240
a	18.615 ± 0.003 Å
b	18.615 ± 0.003 Å
c	29.464 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	8842 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4509964.cif
104154	2014-03-10	cif/ Adding structures of 4509963, 4509964, 4509965 via cif-deposit CGI script.	4509964.cif