Crystallography Open Database

Information card for entry 4331744

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Coordinates	4331744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 F6 O3 P3 Ru S4
Calculated formula	C44 H44 F6 O3 P3 Ru S4
Title of publication	Syntheses, Structural Determinations of [Ru(ROCS2)2(PPh3)2]+/0Pairs, and Kinetic Analyses of Thermal Reactions Involving Transienttrans-[Ru(iPrOCS2)2(PPh3)2] Species (ROCS2-= Ethyl- or Isopropyldithiocarbonate and PPh3= Triphenylphosphine)
Authors of publication	Noda, Kyoko; Ohuchi, Yuko; Hashimoto, Akira; Fujiki, Masayuki; Itoh, Sumitaka; Iwatsuki, Satoshi; Noda, Toshiaki; Suzuki, Takayoshi; Kashiwabara, Kazuo; Takagi, Hideo D.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1349 - 1355
a	11.336 ± 0.007 Å
b	11.415 ± 0.008 Å
c	19.347 ± 0.013 Å
α	76.77 ± 0.05°
β	75.76 ± 0.05°
γ	76.49 ± 0.05°
Cell volume	2320 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2177
Weighted residual factors for all reflections included in the refinement	0.224
Goodness-of-fit parameter for all reflections included in the refinement	1.257
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179420 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331744.cif
97853	2014-01-29	cif/ Adding structures of 4331744 via cif-deposit CGI script.	4331744.cif