Crystallography Open Database

Information card for entry 7006209

Preview

Coordinates	7006209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H69 Cl2 N2 P Ru
Calculated formula	C54 H69 Cl2 N2 P Ru
SMILES	[Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C=C=C(c1ccccc1)c1ccccc1
Title of publication	Exploring new synthetic strategies in the development of a chemically activated Ru-based olefin metathesis catalyst.
Authors of publication	Ledoux, Nele; Drozdzak, Renata; Allaert, Bart; Linden, Anthony; Van Der Voort, Pascal; Verpoort, Francis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	44
Pages of publication	5201 - 5210
a	21.8319 ± 0.0002 Å
b	10.1722 ± 0.0001 Å
c	23.6935 ± 0.0002 Å
α	90°
β	112.536 ± 0.0005°
γ	90°
Cell volume	4860.02 ± 0.08 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
179766 (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 7/00/62.	7006209.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006209.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006209.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006209.cif