Crystallography Open Database

Information card for entry 7031783

Preview

Coordinates	7031783.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[RuH(OTf)(CO)(PNP)]
Formula	C37 H36 F3 N O4 P2 Ru S
Calculated formula	C37 H36 F3 N O4 P2 Ru S
SMILES	[RuH]12([P](CC[N]2(CC[P]1(c1ccccc1)c1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1)(OS(=O)(=O)C(F)(F)F)C#[O]
Title of publication	Contrasting reactivity behaviour of the [RuHCl(CO)(PNP)] complex with electrophilic reagents XOTf (X = H, CH3, Me3Si).
Authors of publication	Ramaraj, A.; Nethaji, Munirathinam; Jagirdar, Balaji R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	39
Pages of publication	14625 - 14635
a	14.9117 ± 0.0006 Å
b	14.9117 ± 0.0006 Å
c	15.5134 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3449.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.1073
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
180023 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17.	7031783.cif
124736	2014-10-06	cif/ Updating files of 7031782, 7031783 Original log message: Adding full bibliography for 7031782--7031783.cif.	7031783.cif
120912	2014-07-30	cif/ Adding structures of 7031782, 7031783 via cif-deposit CGI script.	7031783.cif