Crystallography Open Database

Information card for entry 4079530

Preview

Coordinates	4079530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H48 N P3 Ru
Calculated formula	C25 H48 N P3 Ru
SMILES	[Ru]12345([P]6(CN(C[P]71[C@@H](CC[C@H]7C)C)C[P]12[C@@H](CC[C@H]1C)C)[C@@H](CC[C@H]6C)C)[C](=[CH2]3)(C4)C5
Title of publication	Ruthenium η4-Trimethylenemethane Complexes Containing Tripodal Phosphanomethylamine Ligands
Authors of publication	Scherl, Peter; Kruckenberg, Achim; Mader, Steffen; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	19
Pages of publication	7024
a	8.48059 ± 0.00006 Å
b	9.12047 ± 0.00006 Å
c	34.1042 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2637.86 ± 0.03 Å³
Cell temperature	114.97 ± 0.11 K
Ambient diffraction temperature	114.97 ± 0.11 K
Number of distinct elements	5
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	0.0197
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0485
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178684 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/95.	4079530.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079530.cif
72466	2013-01-21	cif/ Adding structures of 4079528, 4079529, 4079530 via cif-deposit CGI script.	4079530.cif