Crystallography Open Database

Information card for entry 4079529

Preview

Coordinates	4079529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H56 N P3 Ru
Calculated formula	C29 H56 N P3 Ru
SMILES	[Ru]12345([P]6(CN(C[P]71[C@@H](CC[C@H]7C)C)CP1[C@@H](CC[C@H]1C)C)[C@@H](CC[C@H]6C)C)([C](=[CH2]2)(C3)C)[C](=[CH2]4)(C5)C
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	10.2667 ± 0.00003 Å
b	13.3407 ± 0.00005 Å
c	22.72424 ± 0.00006 Å
α	90°
β	90°
γ	90°
Cell volume	3112.43 ± 0.017 Å³
Cell temperature	114.99 ± 0.1 K
Ambient diffraction temperature	114.99 ± 0.1 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	0.0132
Residual factor for significantly intense reflections	0.0132
Weighted residual factors for significantly intense reflections	0.0338
Weighted residual factors for all reflections included in the refinement	0.0338
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4079529.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079529.cif
72466	2013-01-21	cif/ Adding structures of 4079528, 4079529, 4079530 via cif-deposit CGI script.	4079529.cif