Crystallography Open Database

Information card for entry 4329115

Preview

Coordinates	4329115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 Cu N12
Calculated formula	C4 H10 Cu N12
SMILES	CN1[NH2][Cu]2([NH2]N(C)c3n2nnn3)n2c1nnn2
Title of publication	Nitrogen-Rich 5-(1-Methylhydrazinyl)tetrazole and its Copper and Silver Complexes
Authors of publication	Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5305 - 5312
a	6.2643 ± 0.0002 Å
b	9.6889 ± 0.0003 Å
c	7.8137 ± 0.0003 Å
α	90°
β	92.633 ± 0.001°
γ	90°
Cell volume	473.75 ± 0.03 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.0207
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	4329115.cif
179394	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329115.cif
78155	2013-04-01	cif/ Adding structures of 4329115 via cif-deposit CGI script.	4329115.cif