Crystallography Open Database

Information card for entry 7717553

Preview

Coordinates	7717553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H72 Mo3 O3 S4 U
Calculated formula	C42 H72 Mo3 O3 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	10.97728 ± 0.00007 Å
b	17.85746 ± 0.00011 Å
c	24.61165 ± 0.00016 Å
α	90°
β	96.2794 ± 0.0006°
γ	90°
Cell volume	4795.59 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
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	0.0297
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7717553.cif
296056	2024-11-22	cif/ Adding structures of 7717551, 7717552, 7717553, 7717554 via cif-deposit CGI script.	7717553.cif