Crystallography Open Database

Information card for entry 7025513

Preview

Coordinates	7025513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H15 Cl5 Mo2 O5
Calculated formula	C5 H15 Cl5 Mo2 O5
SMILES	C[O]1[Mo]2([Cl][Mo]12(Cl)(Cl)(OC)OC)(Cl)(Cl)(OC)OC
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	12.7518 ± 0.0009 Å
b	12.8342 ± 0.0009 Å
c	10.3363 ± 0.0007 Å
α	90°
β	109.041 ± 0.001°
γ	90°
Cell volume	1599.07 ± 0.19 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0468
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	7025513.cif
93088	2014-01-12	cif/ Adding structures of 7025512, 7025513 via cif-deposit CGI script.	7025513.cif