Crystallography Open Database

Information card for entry 4073001

Preview

Coordinates	4073001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 O P2 Ru
Calculated formula	C40 H44 O P2 Ru
SMILES	[Ru]1234([P](C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([cH]5[cH]1[cH]2[c]13cccc[c]451)C#[O]
Title of publication	A Highly Reactive Ruthenium Phosphido Complex Exhibiting Ru−P π-Bonding
Authors of publication	Derrah, Eric J.; Pantazis, Dimitrios A.; McDonald, Robert; Rosenberg, Lisa
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	6
Pages of publication	1473
a	9.8311 ± 0.0012 Å
b	12.3025 ± 0.0015 Å
c	15.6685 ± 0.0019 Å
α	97.7025 ± 0.0017°
β	101.461 ± 0.0017°
γ	110.89 ± 0.0016°
Cell volume	1691.2 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
178619 (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 4/07/30.	4073001.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073001.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073001.cif
46115	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073000, 4073001, 4073002, 4073003 via cif-deposit CGI script.	4073001.cif