Crystallography Open Database

Information card for entry 4505321

Preview

Coordinates	4505321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H31 Cu F3 N3 O4
Calculated formula	C22 H31 Cu F3 N3 O4
Title of publication	1-D Coordination Polymers Made of Asymmetrical Copper Nitroxide Bis-Chelates
Authors of publication	Burdukov, Alexei B.; Gladkikh, Ella A.; Nefedova, Ekaterina V.; Tronin, Andrei V.; Roshchupkina, Galina I.; Pervukhina, Natalie V.; Shvedenkov, Yuri G.; Reznikov, Vladimir A.
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	3
Pages of publication	595
a	14.202 ± 0.003 Å
b	11.245 ± 0.001 Å
c	16.65 ± 0.002 Å
α	90°
β	101.78 ± 0.01°
γ	90°
Cell volume	2603 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	0.537
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179588 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53.	4505321.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505321.cif
51384	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505319, 4505320, 4505321 via cif-deposit CGI script.	4505321.cif