Crystallography Open Database

Information card for entry 7048514

Preview

Coordinates	7048514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 F12.2 N6 O2 P2 Ru S3
Calculated formula	C30 H20 F12.196 N6 O2 P2 Ru S3
Title of publication	Variable oxidation state sulfur-bridged bithiazole ligands tune the electronic properties of ruthenium(ii) and copper(i) complexes.
Authors of publication	Caron, Elise; Brown, Christopher M.; Hean, Duane; Wolf, Michael O.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	4
Pages of publication	1263 - 1274
a	12.8317 ± 0.0008 Å
b	15.276 ± 0.001 Å
c	36.552 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7164.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
224090 (current)	2019-11-07	cif/ Updating files of 7048509, 7048510, 7048511, 7048512, 7048513, 7048514, 7048515, 7048516, 7048517 Original log message: Adding full bibliography for 7048509--7048517.cif.	7048514.cif
212954	2019-01-11	cif/ Adding structures of 7048509, 7048510, 7048511, 7048512, 7048513, 7048514, 7048515, 7048516, 7048517 via cif-deposit CGI script.	7048514.cif