Crystallography Open Database

Information card for entry 7001937

7001936 << 7001937 >> 7001938

Preview

Coordinates	7001937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 Cl8 Nb2 O5
Calculated formula	C5 H8 Cl8 Nb2 O5
SMILES	COC1CC(=[O][Nb](Cl)(Cl)(Cl)(O[Nb](Cl)(Cl)(Cl)(Cl)Cl)[O]=1)OC
Title of publication	Fragmentation of oxygen-containing molecules via C‒O bond cleavage promoted by coordination to niobium and tantalum pentahalides
Authors of publication	Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	34
Pages of publication	6759 - 6772
a	8.8939 ± 0.0008 Å
b	15.2128 ± 0.0013 Å
c	13.6512 ± 0.0012 Å
α	90°
β	104.329 ± 0.001°
γ	90°
Cell volume	1789.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0212
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0477
Weighted residual factors for all reflections included in the refinement	0.0481
Goodness-of-fit parameter for all reflections included in the refinement	1.263
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
179717 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/19.	7001937.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001937.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001937.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001937.cif