Crystallography Open Database

Information card for entry 4324177

Preview

Coordinates	4324177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26 Cu N10 O9
Calculated formula	C10 H26 Cu N10 O9
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	13.7262 ± 0.0009 Å
b	9.111 ± 0.0006 Å
c	16.7776 ± 0.0011 Å
α	90°
β	96.379 ± 0.001°
γ	90°
Cell volume	2085.2 ± 0.2 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
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.	4324177.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324177.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324177.cif
24468	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324177 via cif-deposit CGI script.	4324177.cif