Crystallography Open Database

Information card for entry 4325032

Preview

Coordinates	4325032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H17 N4 O
Calculated formula	C11 H17 N4 O
SMILES	O=[N]1C(C)(C)C(N=C1c1n(cnc1)C)(C)C
Title of publication	"Jumping Crystals": Oxygen-Evolving Metal-Nitroxide Complexes
Authors of publication	Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4307 - 4312
a	6.282 ± 0.009 Å
b	11.751 ± 0.016 Å
c	15.48 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	1143 ± 3 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
179353 (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 4/32/50.	4325032.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325032.cif
43484	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325032 via cif-deposit CGI script.	4325032.cif