Crystallography Open Database

Information card for entry 1552009

1552008 << 1552009 >> 1552010

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Coordinates	1552009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H63 U
Calculated formula	C39 H63 U
SMILES	[U]123456789%10%11%12([c]%13([cH]1[c]2([cH]3[cH]4%13)C(C)(C)C)C(C)(C)C)([c]1([cH]5[c]6([cH]7[cH]81)C(C)(C)C)C(C)(C)C)[c]1([cH]9[c]%10([cH]%11[cH]%121)C(C)(C)C)C(C)(C)C
Title of publication	Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy
Authors of publication	Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills
Journal of publication	Nature Chemistry
Year of publication	2017
Journal volume	9
Pages of publication	578 - 583
a	10.7925 ± 0.0006 Å
b	19.3497 ± 0.001 Å
c	17.8721 ± 0.0012 Å
α	90°
β	104.314 ± 0.006°
γ	90°
Cell volume	3616.4 ± 0.4 Å³
Cell temperature	150.02 ± 0.14 K
Ambient diffraction temperature	150.02 ± 0.14 K
Number of distinct elements	3
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	0.1249
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation probe	x-ray
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
216818 (current)	2019-07-08	cif/ Adding structures of 1552009 via cif-deposit CGI script.	1552009.cif