Crystallography Open Database

Information card for entry 4084745

Preview

Coordinates	4084745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H40 Cl3 N4 O3 P Ru
Calculated formula	C47 H40 Cl3 N4 O3 P Ru
Title of publication	Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands
Authors of publication	Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5129
a	12.7183 ± 0.0013 Å
b	12.9619 ± 0.0004 Å
c	14.5615 ± 0.0011 Å
α	86.985 ± 0.005°
β	69.949 ± 0.006°
γ	77.142 ± 0.006°
Cell volume	2197.7 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.233
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178736 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/47.	4084745.cif
126811	2014-11-11	cif/ Adding structures of 4084742, 4084743, 4084744, 4084745, 4084746, 4084747, 4084748 via cif-deposit CGI script.	4084745.cif