Crystallography Open Database

Information card for entry 7125702

Preview

Coordinates	7125702.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3
Formula	C52 H123.7 B Na O4 Si8 U
Calculated formula	C52 H123.7 B Na O4 Si8 U
Title of publication	Uranium(iv) cyclobutadienyl sandwich compounds: synthesis, structure and chemical bonding.
Authors of publication	Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	6
Pages of publication	944 - 947
a	13.20381 ± 0.00014 Å
b	26.1179 ± 0.0003 Å
c	20.8685 ± 0.0002 Å
α	90°
β	97.5838 ± 0.0011°
γ	90°
Cell volume	7133.67 ± 0.13 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 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	0.0543
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
247598 (current)	2020-02-04	cif/ Updating files of 7125700, 7125701, 7125702 Original log message: Adding full bibliography for 7125700--7125702.cif.	7125702.cif
246351	2020-01-01	cif/ Adding structures of 7125700, 7125701, 7125702 via cif-deposit CGI script.	7125702.cif