Crystallography Open Database

Information card for entry 4340419

Preview

Coordinates	4340419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H55 F6 O11 P5 Ru S2
Calculated formula	C56 H55 F6 O11 P5 Ru S2
SMILES	[Ru]12([P](c3ccccc3)(c3ccccc3)CC[P]2(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)([P](O)(O)OC)C#[O].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
Title of publication	Highly electrophilic, 16-electron [Ru(P(OMe)(OH)(2))(dppe)(2)](2+) complex turns H(2)(g) into a strong acid and splits a Si-H bond heterolytically. Synthesis and structure of the novel phosphorous acid complex [Ru(P(OH)(3))(dppe)(2)](2+).
Authors of publication	Nagaraja, C. M.; Nethaji, Munirathinam; Jagirdar, Balaji R.
Journal of publication	Inorganic chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4145 - 4147
a	14.701 ± 0.008 Å
b	23.41 ± 0.012 Å
c	17.136 ± 0.009 Å
α	90°
β	91.14 ± 0.009°
γ	90°
Cell volume	5896 ± 5 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179507 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/04.	4340419.cif
119839	2014-07-09	cif/ Adding structures of 4340418, 4340419 via cif-deposit CGI script.	4340419.cif