Crystallography Open Database

Information card for entry 4075793

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 O Ru
Calculated formula	C28 H30 O Ru
SMILES	C(=O)C1[CH]2=[CH]3[C]4(=[CH](c5ccccc5)[Ru]56781234[c]1([c]5([c]6([c]7([c]81C)C)C)C)C)c1ccccc1
Title of publication	Oxodienyl/Alkyne Coupling Reactions in Half-Open Ruthenocenes(II) and Related Species of Ru(IV)
Authors of publication	Sánchez-Castro, M. Esther; Ramirez-Monroy, Armando; Paz-Sandoval, M. Angeles
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	12
Pages of publication	2875
a	12.0777 ± 0.0003 Å
b	11.31 ± 0.0003 Å
c	16.7043 ± 0.0005 Å
α	90°
β	100.634 ± 0.0001°
γ	90°
Cell volume	2242.6 ± 0.11 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.