Crystallography Open Database

Information card for entry 7039958

Preview

Coordinates	7039958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H24 Cl2 Cu N12
Calculated formula	C10 H24 Cl2 Cu N12
SMILES	[Cu]12(Cl)(Cl)([NH](CCn3nnnc3)CC[NH2]1)[NH](CCn1nnnc1)CC[NH2]2
Title of publication	The first organocopper tetrazole derivative: synthesis and characterization.
Authors of publication	Voitekhovich, Sergei V.; Grigoriev, Yuri V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Ivashkevich, Oleg A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	34
Pages of publication	13406 - 13414
a	23.4624 ± 0.0004 Å
b	10.4593 ± 0.0002 Å
c	15.5341 ± 0.0002 Å
α	90°
β	105.381 ± 0.0007°
γ	90°
Cell volume	3675.53 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0352
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
186393 (current)	2016-09-10	cif/ Updating files of 7039954, 7039955, 7039956, 7039957, 7039958 Original log message: Adding full bibliography for 7039954--7039958.cif.	7039958.cif
184570	2016-07-21	cif/ Adding structures of 7039954, 7039955, 7039956, 7039957, 7039958 via cif-deposit CGI script.	7039958.cif