Crystallography Open Database

Information card for entry 7717554

Preview

Coordinates	7717554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.5 H75 Cl2 Mo3 O S4 U
Calculated formula	C56.5 H75 Cl2 Mo3 O S4 U
Title of publication	p<i>K</i><sub>a</sub> of alcohols dictates their reactivity with reduced uranium-substituted thiomolybdate clusters.
Authors of publication	Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	3
Pages of publication	966 - 976
a	11.11244 ± 0.00009 Å
b	20.41551 ± 0.00016 Å
c	24.6678 ± 0.0002 Å
α	90°
β	97.3244 ± 0.0008°
γ	90°
Cell volume	5550.62 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298947 (current)	2025-04-05	cif/ Updating files of 7717551, 7717552, 7717553, 7717554 Original log message: Adding full bibliography for 7717551--7717554.cif.	7717554.cif
296056	2024-11-22	cif/ Adding structures of 7717551, 7717552, 7717553, 7717554 via cif-deposit CGI script.	7717554.cif