Crystallography Open Database

Information card for entry 1563044

Preview

Coordinates	1563044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 N12 O8 Zn
Calculated formula	C14 H18 N12 O8 Zn
SMILES	[Zn]1(OC(=O)Cn2nc(c3ncc[n](c3)[Zn]([OH2])([OH2])OC(=O)Cn3nc(c4ncc[n]1c4)nn3)nn2)([OH2])(OC(=O)Cn1nc(c2nccnc2)nn1)([OH2])[n]1ccnc(c1)c1nn(nn1)CC(=O)[O-].O.O.O.O
Title of publication	A set of new transition metal-based coordination complexes dependent upon Hpztza ligand (Hpztza=2-(5-(pyrazin-2-yl)-2H-tetrazol-2-yl) acetic acid)
Authors of publication	Yang, Jie; Shen, Lei; Yang, Gao-Wen; Li, Qiao-Yun; Shen, Wei; Jin, Jian-Ning; Zhao, Jing-Jing; Dai, Jian
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	186
Pages of publication	124 - 133
a	7.3403 ± 0.0015 Å
b	8.7531 ± 0.0018 Å
c	9.1213 ± 0.0018 Å
α	72.84 ± 0.03°
β	82.81 ± 0.03°
γ	86.4 ± 0.03°
Cell volume	555.3 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
265652 (current)	2021-06-01	cif/ Adding structures of 1563037, 1563038, 1563039, 1563040, 1563041, 1563042, 1563043, 1563044, 1563045, 1563046 via cif-deposit CGI script.	1563044.cif