Crystallography Open Database

Information card for entry 4324179

Preview

Coordinates	4324179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cu N10 O8
Calculated formula	C4 H12 Cu N10 O8
SMILES	C(N)(N[Cu](NC(N)=C(N(=O)=O)N(=O)=O)([NH3])[NH3])=C(N(=O)=O)N(=O)=O
Title of publication	FOX-7 (1,1-Diamino-2,2-dinitroethene): Trapped by Copper and Amines
Authors of publication	Sonali Garg; Haixiang Gao; Damon A. Parrish; Jean'ne M. Shreeve
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	390 - 395
a	6.8796 ± 0.0007 Å
b	7.3038 ± 0.0007 Å
c	13.1982 ± 0.0013 Å
α	90°
β	95.986 ± 0.001°
γ	90°
Cell volume	659.56 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
179344 (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 4/32/41.	4324179.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324179.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324179.cif
24470	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324179 via cif-deposit CGI script.	4324179.cif