Crystallography Open Database

Information card for entry 7003011

Preview

Coordinates	7003011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H47 O P Ru Si
Calculated formula	C37 H47 O P Ru Si
SMILES	[RuH2]12345([P](C6=C(O[Si]1(c1ccccc1)c1ccccc1)Cc1c6cccc1)(C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Exploring the reactivity of a coordinatively unsaturated Cp*Ru(kappa(2)-P,O) complex with small molecule substrates: application in E-H bond activation (E = H, B, and Si).
Authors of publication	Rankin, Matthew A; Hesp, Kevin D; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2009
Journal issue	24
Pages of publication	4756 - 4765
a	13.0305 ± 0.0012 Å
b	14.5399 ± 0.0013 Å
c	17.6901 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3351.6 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
179734 (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 7/00/30.	7003011.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7003011.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003011.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.	7003011.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7003011.cif