Crystallography Open Database

Information card for entry 4072856

Preview

Coordinates	4072856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Co O2 P
Calculated formula	C17 H27 Co O2 P
SMILES	[Co]12345(OC(=CC(=[O]5)C)C)P5[C]1(=[CH]2[CH]3=[C]45C(C)(C)C)C(C)(C)C
Title of publication	Synthesis of a Cobalt−Phospholyl Half-Sandwich Complex and Its Transformation into a Phosphacobaltocene
Authors of publication	Cabon, Yves; Carmichael, Duncan; Forissier, Kareen; Mathey, François; Ricard, Louis; Seeboth, Nicolas
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	23
Pages of publication	5468
a	9.38 ± 0.005 Å
b	10.174 ± 0.005 Å
c	10.251 ± 0.005 Å
α	68.12 ± 0.005°
β	85.68 ± 0.005°
γ	79.93 ± 0.005°
Cell volume	893.8 ± 0.8 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178617 (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 4/07/28.	4072856.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072856.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072856.cif
46033	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072856 via cif-deposit CGI script.	4072856.cif