Crystallography Open Database

Information card for entry 1545550

Preview

Coordinates	1545550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H112 N8 O2 S2 U2
Calculated formula	C100 H112 N8 O2 S2 U2
Title of publication	Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes
Authors of publication	Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	5
Pages of publication	3609
a	17.3745 ± 0.0005 Å
b	34.224 ± 0.0008 Å
c	17.013 ± 0.0005 Å
α	90°
β	112.037 ± 0.003°
γ	90°
Cell volume	9377.3 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	0.804
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
196334 (current)	2017-05-06	cif/ Updating files of 1545549, 1545550, 1545551, 1545552, 1545553 Original log message: Adding full bibliography for 1545549--1545553.cif.	1545550.cif
194176	2017-03-11	cif/ Adding structures of 1545549, 1545550, 1545551, 1545552, 1545553 via cif-deposit CGI script.	1545550.cif