Crystallography Open Database

Information card for entry 4078468

Preview

Coordinates	4078468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H93 Cl6 P4 Ru2
Calculated formula	C43 H93 Cl6 P4 Ru2
SMILES	[PH+](C(C)C)(C(C)C)C(C)C.[Ru]12([Cl][Ru](Cl)([Cl]1)([Cl]2)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C)(Cl)(Cl)[P](C(C)C)(C(C)C)C(C)C.c1(ccccc1)C
Title of publication	Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions
Authors of publication	Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4450
a	12.0804 ± 0.0007 Å
b	14.8396 ± 0.0008 Å
c	15.5905 ± 0.0008 Å
α	95.5198 ± 0.0006°
β	91.0671 ± 0.0007°
γ	103.017 ± 0.0007°
Cell volume	2708.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0472
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
178673 (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 4/07/84.	4078468.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078468.cif
62394	2012-07-07	cif/ Adding structures of 4078465, 4078466, 4078467, 4078468, 4078469, 4078470 via cif-deposit CGI script.	4078468.cif