Crystallography Open Database

Information card for entry 4510361

Preview

Coordinates	4510361.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Me4N)(dcnm)
Chemical name	Tetramethylammonium dicyanonitrosomethanide
Formula	C7 H12 N4 O
Calculated formula	C7 H13 N4 O
Title of publication	Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study
Authors of publication	Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1922
a	8.663 ± 0.0017 Å
b	6.5838 ± 0.0013 Å
c	9.0253 ± 0.0018 Å
α	90°
β	116.56 ± 0.03°
γ	90°
Cell volume	460.4 ± 0.2 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.1954
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510361.cif
109057	2014-04-07	cif/ Adding structures of 4510361 via cif-deposit CGI script.	4510361.cif