Crystallography Open Database

Information card for entry 7219558

7219557 << 7219558 >> 7219559

Preview

Coordinates	7219558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 N4
Calculated formula	C9 H10 N4
SMILES	n1c([nH]nn1)Cc1c(cccc1)C
Title of publication	Synthetic application of gold nano particles and auric chloride for the synthesis of 5-substituted 1-H tetrazoles
Authors of publication	Kumar, Satyanand; Kumar, Arvind; Agarwal, Alka; Awasthi, Satish Kumar
Journal of publication	RSC Adv.
Year of publication	2015
a	7.8232 ± 0.0008 Å
b	11.9434 ± 0.0014 Å
c	9.8716 ± 0.0009 Å
α	90°
β	96.825 ± 0.008°
γ	90°
Cell volume	915.82 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
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	0.0734
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1981
Weighted residual factors for all reflections included in the refinement	0.2061
Goodness-of-fit parameter for all reflections included in the refinement	1.45
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
180526 (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 7/21/95.	7219558.cif
131868	2015-02-14	cif/ Adding structures of 7219558, 7219559 via cif-deposit CGI script.	7219558.cif