Crystallography Open Database

Information card for entry 4307990

Preview

Coordinates	4307990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H51 Cl2 F3 N2 O16 P4 Ru2 S3
Calculated formula	C27 H51 Cl2 F3 N2 O16 P4 Ru2 S3
SMILES	CO[P]([Ru]123([Cl][Ru]([Cl]1)([S](S2)C\C=C\CO)([P](OC)(OC)OC)([P](OC)(OC)OC)[N]#CCc1cc(CC#[N]3)ccc1)[P](OC)(OC)OC)(OC)OC.S(=O)(=O)([O-])C(F)(F)F
Title of publication	C-H Cleavage and Double Alkyl Additions to the Disulfido Ligand in Dicyanido-Bridged Ru2S2 Complexes
Authors of publication	Sumito Ishizu; Hiroyasu Sugiyama; Brian K. Breedlove; Kazuko Matsumoto
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3726 - 3735
a	11.7128 ± 0.0015 Å
b	13.0959 ± 0.0017 Å
c	15.2169 ± 0.0019 Å
α	80.371 ± 0.003°
β	85.484 ± 0.003°
γ	85.406 ± 0.002°
Cell volume	2288.8 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1468
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.2167
Weighted residual factors for all reflections included in the refinement	0.2641
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179117 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/79.	4307990.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307990.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307990.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307990.cif