Crystallography Open Database

Information card for entry 7012133

Preview

Coordinates	7012133.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CoCl2(Me2NCH2NMeCH2NMe2)]
Formula	C7 H19 Cl2 Co N3
Calculated formula	C7 H19 Cl2 Co N3
SMILES	CN1C[N](C)(C)[Co](Cl)([N](C1)(C)C)Cl
Title of publication	Anomalous reactions of the diamine Me2NCH2NMe2 with nickel(ii) and cobalt(ii)
Authors of publication	Hitchcock, Peter B.; Handley, Darren A.; Huei Lee, Ting; Jeffery Leigh, G.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	24
Pages of publication	4720
a	12.079 ± 0.003 Å
b	10.96 ± 0.003 Å
c	9.231 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1222.1 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012133.cif
179825	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/21.	7012133.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012133.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012133.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012133.cif