Crystallography Open Database

Information card for entry 4303346

Preview

Structure parameters

Formula	C4 H16 Cu2 N8 O12
Calculated formula	C4 H16 Cu2 N8 O12
SMILES	C1(=O)O[Cu]2([OH2])([OH2])([n]3c1nnn3[Cu]1([n]3c(nnn23)C(=O)O1)([OH2])([OH2])[OH2])[OH2].O.O
Title of publication	Tetrazole-5-carboxylic Acid Based Salts of Earth Alkali and Transition Metal Cations
Authors of publication	Vera Hartdegen; Thomas M. Klapötke; Stefan M. Sproll
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9549 - 9556
a	15.5106 ± 0.001 Å
b	6.4029 ± 0.0004 Å
c	17.7351 ± 0.0012 Å
α	90°
β	114.494 ± 0.008°
γ	90°
Cell volume	1602.8 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4303346.cif
179071	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/33.	4303346.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303346.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303346.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303346.cif