Crystallography Open Database

Information card for entry 4508423

Preview

Coordinates	4508423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N6 O6 Zn
Calculated formula	C26 H20 N6 O6 Zn
Title of publication	A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties
Authors of publication	Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	11
Pages of publication	4781
a	10.2619 ± 0.0005 Å
b	10.9485 ± 0.0004 Å
c	12.138 ± 0.0006 Å
α	97.356 ± 0.004°
β	111.722 ± 0.004°
γ	98.361 ± 0.004°
Cell volume	1228.65 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0373
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4508423.cif
91462	2013-12-13	cif/ Adding structures of 4508422, 4508423, 4508424, 4508425, 4508426, 4508427, 4508428, 4508429, 4508430, 4508431, 4508432 via cif-deposit CGI script.	4508423.cif