Crystallography Open Database

Information card for entry 7112263

Preview

Coordinates	7112263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 Cl5 N2 Nb
Calculated formula	C27 H36 Cl5 N2 Nb
Title of publication	A structurally-characterized NbCl5-NHC adduct
Authors of publication	Marco Bortoluzzi; Eleonora Ferretti; Fabio Marchetti; Guido Pampaloni; Stefano Zacchini
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4472
a	10.225 ± 0.0017 Å
b	17.76 ± 0.003 Å
c	17.334 ± 0.003 Å
α	90°
β	103.682 ± 0.002°
γ	90°
Cell volume	3058.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.131
Residual factor for significantly intense reflections	0.1049
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
180236 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/22.	7112263.cif
108982	2014-04-07	cif/ Adding structures of 7112263 via cif-deposit CGI script.	7112263.cif