Crystallography Open Database

Information card for entry 4309849

Preview

Coordinates	4309849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 F6 N3 O4 P Ru S2
Calculated formula	C22 H24 F6 N3 O3 P Ru S
Title of publication	Designing Molecular Bistability in Ruthenium Dimethyl Sulfoxide Complexes
Authors of publication	Aaron A. Rachford; Jeffrey L. Petersen; Jeffrey J. Rack
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8065 - 8075
a	9.2333 ± 0.0005 Å
b	13.1204 ± 0.0008 Å
c	13.6893 ± 0.0008 Å
α	69.54 ± 0.001°
β	73.733 ± 0.001°
γ	80.341 ± 0.001°
Cell volume	1487.06 ± 0.15 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179136 (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 4/30/98.	4309849.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309849.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309849.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309849.cif