Crystallography Open Database

Information card for entry 7003120

Preview

Coordinates	7003120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H18 Cl Cu N2
Calculated formula	C10 H18 Cl Cu N2
SMILES	[Cu](Cl)(C#[N]C(C)(C)C)C#[N]C(C)(C)C
Title of publication	Structural and spectroscopic studies of some copper(i) halide tert-butyl isocyanide adducts
Authors of publication	Bowmaker, Graham A.; Hanna, John V.; Hahn, F. Ekkehardt; Lipton, Andrew S.; Oldham, Carolyn E.; Skelton, Brian W.; Smith, Mark E.; White, Allan H.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	13
Pages of publication	1710 - 1720
a	16.912 ± 0.007 Å
b	9.861 ± 0.004 Å
c	18.609 ± 0.006 Å
α	90°
β	116.64 ± 0.03°
γ	90°
Cell volume	2774 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.145
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.2117
Weighted residual factors for all reflections included in the refinement	0.2729
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7003120.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003120.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003120.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003120.cif