Crystallography Open Database

Information card for entry 4339649

Preview

Coordinates	4339649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 B4 F16 N12 O V2
Calculated formula	C24 H36 B4 F16 N12 O V2
Title of publication	Synthesis, structure, and magnetic properties of [(CH3CN)5V-O-V(CH3CN)5][BF4]4.
Authors of publication	Cissell, Julie A.; Kaur, Narpinder; Nellutla, Saritha; Dalal, Naresh S.; Vaid, Thomas P.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9672 - 9677
a	10.061 ± 0.0005 Å
b	22.2252 ± 0.001 Å
c	10.7939 ± 0.0005 Å
α	90°
β	109.6 ± 0.001°
γ	90°
Cell volume	2273.75 ± 0.19 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.0584
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
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.	4339649.cif
117446	2014-06-15	cif/ Adding structures of 4339649 via cif-deposit CGI script.	4339649.cif