Crystallography Open Database

Information card for entry 4075893

Preview

Coordinates	4075893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H46 P2 Ru
Calculated formula	C39 H46 P2 Ru
SMILES	[RuH]1234([PH](C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[c]13cccc[c]451
Title of publication	Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment
Authors of publication	Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	24
Pages of publication	5817
a	20.8844 ± 0.0009 Å
b	8.6214 ± 0.0004 Å
c	19.8587 ± 0.0009 Å
α	90°
β	112.129 ± 0.0007°
γ	90°
Cell volume	3312.2 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.0221
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
178647 (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 4/07/58.	4075893.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075893.cif
50728	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075891, 4075892, 4075893, 4075894 via cif-deposit CGI script.	4075893.cif