Crystallography Open Database

Information card for entry 7023173

Preview

Coordinates	7023173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 F5 N Nb O
Calculated formula	C19 H23 F5 N Nb O
SMILES	c1(c(cccc1C(C)C)C(C)C)NC=c1c(cccc1)=[O][Nb](F)(F)(F)(F)F
Title of publication	Coordination complexes of NbX5 (X = F, Cl) with (N,O)- and (O,O)-donor ligands and the first X-ray characterization of a neutral NbF5 adduct.
Authors of publication	Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pucino, Margherita; Zacchini, Stefano
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	13054 - 13064
a	9.3116 ± 0.0008 Å
b	13.8688 ± 0.0011 Å
c	15.259 ± 0.0012 Å
α	90°
β	97.515 ± 0.001°
γ	90°
Cell volume	1953.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0534
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179936 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/31.	7023173.cif
90456	2013-11-17	cif/ Adding structures of 7023172, 7023173 via cif-deposit CGI script.	7023173.cif