Crystallography Open Database

Information card for entry 7006896

Preview

Coordinates	7006896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H64 Cl2 O10 P2 Ru4
Calculated formula	C55 H64 Cl2 O10 P2 Ru4
SMILES	[Ru]1([H][Ru](C#[O])(C#[O])(C#[O])[H][Ru]([H][Ru](C#[O])(C#[O])(C#[O])[H]1)([P](c1ccccc1)(c1ccccc1)[C@H]1C[C@@H](CC[C@H]1C(C)C)C)(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)[C@H]1C[C@@H](CC[C@H]1C(C)C)C)(C#[O])C#[O].ClCCl
Title of publication	Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.
Authors of publication	Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	1
Pages of publication	279 - 288
a	9.3092 ± 0.0019 Å
b	19.38 ± 0.004 Å
c	15.867 ± 0.003 Å
α	90°
β	90.51 ± 0.03°
γ	90°
Cell volume	2862.5 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0178
Residual factor for significantly intense reflections	0.0169
Weighted residual factors for significantly intense reflections	0.0399
Weighted residual factors for all reflections included in the refinement	0.0405
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
179772 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/68.	7006896.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006896.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006896.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7006896.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006896.cif