Crystallography Open Database

Information card for entry 7214918

Preview

Coordinates	7214918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N6 O6 Zn
Calculated formula	C14 H12 N6 O6 Zn
SMILES	c1ccc2c3[n]1[Zn]1([n]4cccc5c4c(O1)n[nH]c5=O)(Oc3n[nH]c2=O)([OH2])[OH2]
Title of publication	Synthesis, structural characterization and photoluminescence property of four di(mono)acylhydrazidate-coordinated Cd2+ and Zn2+ compounds
Authors of publication	Jin, Juan; Bai, Fu-Quan; Li, Guang-Hua; Jia, Ming-Jun; Zhao, Jin-Jing; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	8162
a	12.805 ± 0.003 Å
b	5.3901 ± 0.0011 Å
c	10.848 ± 0.002 Å
α	90°
β	100.58 ± 0.03°
γ	90°
Cell volume	736 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0299
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
180480 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/49.	7214918.cif
110995	2014-04-20	cif/ Adding structures of 7214915, 7214916, 7214917, 7214918 via cif-deposit CGI script.	7214918.cif