Crystallography Open Database

Information card for entry 4329424

Preview

Coordinates	4329424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18.74 N5 O6.87 S Zn
Calculated formula	C13 H17 N5 O6.869 S Zn
Title of publication	Neutral Mononuclear, Dinuclear, Tetranuclear d7/d10 Metal Complexes Containing bis-Pyrazole/Pyridine Ligands Supported by 2,6-bis(3-Pyrazolyl)Pyridine: Synthesis, Structure, Spectra, and Catalytic Activity
Authors of publication	Lijuan Wan; Caishun Zhang; Yongheng Xing; Zhen Li; Na Xing; Liying Wan; Hui Shan
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6517 - 6528
a	13.18 ± 0.003 Å
b	6.9337 ± 0.0014 Å
c	19.744 ± 0.004 Å
α	90°
β	93.74 ± 0.03°
γ	90°
Cell volume	1800.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2046
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179397 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/94.	4329424.cif
78481	2013-04-02	cif/ Adding structures of 4329424 via cif-deposit CGI script.	4329424.cif