Crystallography Open Database

Information card for entry 4333730

Preview

Coordinates	4333730.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(disilox)4CrNa(thf)
Formula	C40 H92 Cr Na O5 Si4
Calculated formula	C40 H92 Cr Na O5 Si4
SMILES	[O]1([Cr]2([O]([Na]1([O]2[Si](C(C)(C)C)(C)C(C)(C)C)[O]1CCCC1)[Si](C(C)(C)C)(C(C)(C)C)C)[O][Si](C(C)(C)C)(C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C
Title of publication	Chromium(IV) Siloxide
Authors of publication	Michael P. Marshak; Daniel G. Nocera
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1173 - 1175
a	21.8239 ± 0.0012 Å
b	18.8675 ± 0.001 Å
c	25.0854 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	10329.2 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179440 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/37.	4333730.cif
99534	2014-01-31	cif/ Adding structures of 4333730 via cif-deposit CGI script.	4333730.cif