Crystallography Open Database

Information card for entry 2311448

Preview

Coordinates	2311448.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(Acetonitrile-κ<i>N</i>)aqua[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']zinc(II) perchlorate
Formula	C16 H23 Cl2 N5 O9 Zn
Calculated formula	C16 H23 Cl2 N5 O9 Zn
Title of publication	(Aceto-nitrile-κ<i>N</i>)aqua-[<i>N</i>,<i>N</i>'-bis-(pyridin-2-yl-methyl)ethane-1,2-di-amine-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']zinc(II) perchlorate.
Authors of publication	Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	1568 - 1571
a	8.2959 ± 0.0003 Å
b	10.3169 ± 0.0004 Å
c	27.7884 ± 0.0009 Å
α	92.969 ± 0.001°
β	98.241 ± 0.001°
γ	109.62 ± 0.001°
Cell volume	2204.36 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245892 (current)	2019-12-25	cif/ Adding structures of 2311448 via cif-deposit CGI script.	2311448.cif