Crystallography Open Database

Information card for entry 7048517

Preview

Coordinates	7048517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.49 H35.63 B Cl0.34 Cu F4 N2 O1.33 P2 S3
Calculated formula	C43.487 H35.632 B Cl0.342 Cu F4 N2 O1.329 P2 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	13.0385 ± 0.0009 Å
b	44.59 ± 0.003 Å
c	14.4382 ± 0.0008 Å
α	90°
β	94.266 ± 0.002°
γ	90°
Cell volume	8370.9 ± 0.9 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	10
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7048517.cif
212954	2019-01-11	cif/ Adding structures of 7048509, 7048510, 7048511, 7048512, 7048513, 7048514, 7048515, 7048516, 7048517 via cif-deposit CGI script.	7048517.cif