Crystallography Open Database

Information card for entry 4337084

Preview

Coordinates	4337084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Cu1.5 F12 N3 O6
Calculated formula	C21 H23 Cu1.5 F12 N3 O6
Title of publication	Preparation and Magnetic Properties of Metal-Complexes from N-t-Butyl-N-oxidanyl-2-amino-(nitronyl nitroxide).
Authors of publication	Furui, Takanori; Suzuki, Shuichi; Kozaki, Masatoshi; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Okada, Keiji; Tretyakov, Evgeny V.; Tolstikov, Svyatoslav E.; Romanenko, Galina V.; Ovcharenko, Victor I.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	802 - 809
a	10.5121 ± 0.0008 Å
b	11.1887 ± 0.0009 Å
c	13.132 ± 0.0011 Å
α	76.799 ± 0.006°
β	88.361 ± 0.006°
γ	73.751 ± 0.005°
Cell volume	1442.6 ± 0.2 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	0.763
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4337084.cif
106149	2014-03-15	cif/ Adding structures of 4337084 via cif-deposit CGI script.	4337084.cif