Crystallography Open Database

Information card for entry 4327278

Preview

Coordinates	4327278.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N,N'-bis(2-chloroacetyl)-N,N'-dimethylethylenediamine
Chemical name	N,N'-bis(2-chloroacetyl)-N,N'-dimethylethylenediamine
Formula	C4 H7 Cl N O
Calculated formula	C4 H7 Cl N O
Title of publication	Synthesis, X-ray Crystal Structures, Magnetism, and Phosphate Ester Cleavage Properties of Copper(II) Complexes of N-Substituted Derivatives of 1,4,7-Triazacyclononane
Authors of publication	Matthew J. Belousoff; Martin B. Duriska; Bim Graham; Stuart R. Batten; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	3746 - 3755
a	9.975 ± 0.002 Å
b	8.0632 ± 0.0016 Å
c	13.679 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1100.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179375 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/72.	4327278.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327278.cif
60994	2012-06-20	cif/ Adding structures of 4327278 via cif-deposit CGI script.	4327278.cif