Crystallography Open Database

Information card for entry 8105083

Preview

Coordinates	8105083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 N8 O7 Zn
Calculated formula	C12 H12 N8 O7 Zn
SMILES	[Zn]12(OC(=N[N]2=C(N)c2[n]1ccnc2)c1c[nH+]c(cc1)C)(ON(=O)=O)ON(=O)=O
Title of publication	Crystal structure of N-(amino(pyrazin-2-yl)methylene)-6-methylpyridin-1-ium-3-carbohydrazonate-κ3 O,N,N′)-(dinitrato-κ1O)zinc(II), C12H12N8O7Zn
Authors of publication	Yan, Jin-Long
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	283 - 284
a	8.2116 ± 0.0003 Å
b	11.1926 ± 0.0004 Å
c	17.3488 ± 0.0007 Å
α	90°
β	96.245 ± 0.001°
γ	90°
Cell volume	1585.05 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0274
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274747 (current)	2022-04-28	cif/ Adding structures of 8105083 via cif-deposit CGI script.	8105083.cif