Crystallography Open Database

Information card for entry 4311430

Preview

Coordinates	4311430.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CuCl(C7H12N2SiMe3]
Formula	C10 H21 Cl Cu N3 Si
Calculated formula	C10 H21 Cl Cu N3 Si
SMILES	[Cu](Cl)[N]1=C2N([Si](C)(C)C)CCCN2CCC1
Title of publication	Structural Consequences of the Prohibition of Hydrogen Bonding in Copper-Guanidine Systems
Authors of publication	Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	5168 - 5172
a	7.8072 ± 0.0003 Å
b	9.6668 ± 0.0003 Å
c	10.7091 ± 0.0005 Å
α	111.982 ± 0.003°
β	97.576 ± 0.003°
γ	106.227 ± 0.002°
Cell volume	693.77 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311430.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311430.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311430.cif
2929	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311430 via cif-deposit CGI script.	4311430.cif