Crystallography Open Database

Information card for entry 4107275

Preview

Coordinates	4107275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H49 Cl O P2 Ru
Calculated formula	C49 H49 Cl O P2 Ru
SMILES	[Ru]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C#[O])[C](C1=CCCCC)#CCCCC
Title of publication	Ruthenium Complexes with Vinyl, Styryl, and Vinylpyrenyl Ligands: A Case of Non-innocence in Organometallic Chemistry
Authors of publication	Jörg Maurer; Michael Linseis; Biprajit Sarkar; Brigitte Schwederski; Mark Niemeyer; Wolfgang Kaim; Stanislav Záliš; Chris Anson; Manfred Zabel; Rainer F. Winter
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	259 - 268
a	12.7029 ± 0.001 Å
b	24.0572 ± 0.0015 Å
c	14.2748 ± 0.0013 Å
α	90°
β	107.168 ± 0.01°
γ	90°
Cell volume	4168 ± 0.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 ± 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	0.0537
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107275.cif
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	4107275.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107275.cif
54928	2012-04-30	cif/ Adding structures of 4107275 via cif-deposit CGI script.	4107275.cif