Crystallography Open Database

Information card for entry 4348803

Preview

Coordinates	4348803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 Cl2 N4 O6 Zn
Calculated formula	C12 H28 Cl2 N4 O6 Zn
SMILES	[Zn]12(OC(=O)[C@@H]([NH2]1)CCCC[NH3+])(OC(=O)[C@@H]([NH2]2)CCCC[NH3+])Cl.[Cl-].O.O
Title of publication	A Water-Soluble Cationic Zinc Lysine Precursor for Coating ZnO on Biomaterial Surfaces.
Authors of publication	Yuan, Shaotang; Nawrocki, Shiri; Stranick, Michael; Yang, Ying; Zheng, Chong; Masters, James G.; Pan, Long
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10094 - 10097
a	5.2746 ± 0.0016 Å
b	17.04 ± 0.005 Å
c	11.407 ± 0.003 Å
α	90°
β	94.197 ± 0.005°
γ	90°
Cell volume	1022.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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
233368 (current)	2019-11-23	cif/ Adding structures of 4348803 via cif-deposit CGI script.	4348803.cif