Crystallography Open Database

Information card for entry 7125700

Preview

Coordinates	7125700.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1
Formula	C32 H79 B3 Na O8 Si4 U
Calculated formula	C32 H79 B3 Na O8 Si4 U
SMILES	[BH]12[H][U]3456789([C]%10(=[C]3([C]4(=[C]5%10[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)([H]1)([H]2)([H][BH]([H]6)[H]7)[H][BH]([H]8)[H]9.[O]12CC[O]3CC[O]4CC[O](CC1)[Na]156234[O]2CC[O]6CC[O]5CC[O]1CC2
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	17.3922 ± 0.0002 Å
b	14.5028 ± 0.0002 Å
c	20.3353 ± 0.0002 Å
α	90°
β	108.868 ± 0.001°
γ	90°
Cell volume	4853.67 ± 0.1 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7125700.cif
246351	2020-01-01	cif/ Adding structures of 7125700, 7125701, 7125702 via cif-deposit CGI script.	7125700.cif