Crystallography Open Database

Information card for entry 1552010

1552009 << 1552010 >> 1552011

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Coordinates	1552010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H63 Cl U
Calculated formula	C39 H63 Cl U
SMILES	[U]123456789%10%11%12(Cl)([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	20.1 ± 0.002 Å
b	21.4218 ± 0.0008 Å
c	20.1165 ± 0.0015 Å
α	90°
β	118.596 ± 0.011°
γ	90°
Cell volume	7605.1 ± 1.3 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	4
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	0.1207
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
216819 (current)	2019-07-08	cif/ Adding structures of 1552010 via cif-deposit CGI script.	1552010.cif