Crystallography Open Database

Information card for entry 7048510

Preview

Coordinates	7048510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 F12 N6 O4 P2 Ru S6
Calculated formula	C16 H14 F12 N6 O4 P2 Ru S6
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	15.7488 ± 0.001 Å
b	10.253 ± 0.0006 Å
c	18.1104 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2924.3 ± 0.3 Å³
Cell temperature	100.15 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	0.0271
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
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.	7048510.cif
212954	2019-01-11	cif/ Adding structures of 7048509, 7048510, 7048511, 7048512, 7048513, 7048514, 7048515, 7048516, 7048517 via cif-deposit CGI script.	7048510.cif