Crystallography Open Database

Information card for entry 4316860

Preview

Coordinates	4316860.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	carbonyl diazide
Formula	C N6 O
Calculated formula	C N6 O
SMILES	O=C(N=N#N)N=N#N
Title of publication	Synthesis and Characterization of Carbonyl Diazide, OC(N3)2
Authors of publication	Xiaoqing Zeng; Michael Gerken; Helmut Beckers; Helge Willner
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9694 - 9699
a	5.431 ± 0.002 Å
b	5.797 ± 0.002 Å
c	13.8 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	434.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
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	0.0732
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.218
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.222
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179248 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68.	4316860.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316860.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316860.cif
10369	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316860 via cif-deposit CGI script.	4316860.cif