Crystallography Open Database

Information card for entry 7025512

Preview

Coordinates	7025512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 Cl8 Mo2 O6
Calculated formula	C6 H10 Cl8 Mo2 O6
SMILES	O=[Mo]1(Cl)([O]=COCCCl)([Cl][Mo](=O)([O]=COCCCl)([Cl]1)(Cl)Cl)Cl
Title of publication	A systematic study on the activation of simple polyethers by MoCl5 and WCl6.
Authors of publication	Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	22
Pages of publication	5367 - 5376
a	21.043 ± 0.004 Å
b	6.1669 ± 0.001 Å
c	14.915 ± 0.003 Å
α	90°
β	93.412 ± 0.002°
γ	90°
Cell volume	1932.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0188
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0414
Weighted residual factors for all reflections included in the refinement	0.0417
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
179961 (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 7/02/55.	7025512.cif
93088	2014-01-12	cif/ Adding structures of 7025512, 7025513 via cif-deposit CGI script.	7025512.cif