Crystallography Open Database

Information card for entry 4509963

Preview

Coordinates	4509963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 N4 O9 Zn2
Calculated formula	C48 H34 N4 O9 Zn2
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	12.3442 ± 0.0004 Å
b	18.1532 ± 0.0007 Å
c	18.2571 ± 0.0007 Å
α	90°
β	92.994 ± 0.003°
γ	90°
Cell volume	4085.6 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179635 (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 4/50/99.	4509963.cif
104154	2014-03-10	cif/ Adding structures of 4509963, 4509964, 4509965 via cif-deposit CGI script.	4509963.cif