Crystallography Open Database

Information card for entry 4075797

Preview

Coordinates	4075797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 O9 Ru
Calculated formula	C28 H36 O9 Ru
SMILES	C(=O)(C1[C]2(=[CH]3[C]4(=[CH](C(=O)OC)[Ru]56781234[c]1([c]5([c]6([c]7([c]81C)C)C)C)C)C(=O)OC)C/C(=C/C(=O)OC)C(=O)OC)C
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	44.0085 ± 0.0005 Å
b	44.0085 ± 0.0005 Å
c	8.6969 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	14587.1 ± 0.3 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
178646 (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 4/07/57.	4075797.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075797.cif
50670	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075793, 4075794, 4075795, 4075796, 4075797, 4075798 via cif-deposit CGI script.	4075797.cif