Crystallography Open Database

Information card for entry 7715752

Preview

Coordinates	7715752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H14 Cu N4 S4
Calculated formula	C9 H14 Cu N4 S4
Title of publication	X-ray absorption and emission spectroscopy of N<sub>2</sub>S<sub>2</sub> Cu(II)/(III) complexes.
Authors of publication	Geoghegan, Blaise L.; Bilyj, Jessica K.; Bernhardt, Paul V.; DeBeer, Serena; Cutsail, 3rd, George E
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	18
Pages of publication	7828 - 7838
a	46.877 ± 0.009 Å
b	6.963 ± 0.0014 Å
c	8.814 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2876.9 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293112 (current)	2024-07-05	cif/ Updating files of 7715751, 7715752 Original log message: Adding full bibliography for 7715751--7715752.cif.	7715752.cif
291240	2024-04-17	cif/ Adding structures of 7715751, 7715752 via cif-deposit CGI script.	7715752.cif