Crystallography Open Database

Information card for entry 4074237

Preview

Coordinates	4074237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Co2 O6 Si3
Calculated formula	C28 H28 Co2 O6 Si3
SMILES	[Co]12([Co]3(C#[O])(C#[O])(C#[O])[C]1([Si]([Si](C)(C)C)([Si](C)(C)C)C#Cc1ccccc1)=[C]23c1ccccc1)(C#[O])(C#[O])C#[O]
Title of publication	Cobalt-Assisted Silicon−Silicon Bond Activation
Authors of publication	Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	20
Pages of publication	4897
a	18.228 ± 0.004 Å
b	9.7071 ± 0.0019 Å
c	35.846 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	6343 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
178631 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42.	4074237.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074237.cif
48262	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074230, 4074231, 4074232, 4074233, 4074234, 4074235, 4074236, 4074237, 4074238, 4074239, 4074240, 4074241 via cif-deposit CGI script.	4074237.cif