Single-crystal X-ray study of β-uranium pentafluoride. The eight coordination of U<sup>V</sup>

Ryan, R. R.; Penneman, R. A.; Asprey, L.B.; Paine, Robert T.

doi:10.1107/s0567740876010182

Cited by 34 publications

(10 citation statements)

References 6 publications

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“…These U−U distances are longer compared to Sr[U 2 F 12 ] with 3.8913(10) Å, as well as α‐ and β‐UCl 5 with circa 4.17 Å, but shorter compared to α‐UF 5 (ca. 4.5 Å) and β‐UF 5 (4.5 and 4.6 Å) with different coordination polyhedra . We note that the intramolecular U−U distance in the triclinic β‐UBr 5 by Wilson and co‐workers is 4.43(5) Å, which is in good agreement within the doubled standard uncertainty.…”

Section: Resultssupporting

confidence: 78%

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A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

Deubner

Rudel

Sachs

et al. 2019

Chemistry A European J

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The redetermination of the crystal structure of trigonal UCl6, which is the eponym for the UCl6 structure type, showed that certain atomic coordinates had been incorrectly reported. This led to noticeably different U−Cl distances within the octahedral UCl6 molecule (2.41 and 2.51 Å). Within the revised structure model presented here, which is based on single crystal data as well as quantum chemical calculations, all U−Cl distances are essentially equal within standard uncertainty (2.431(5), 2.437(5), and 2.439(6) Å). This room temperature modification, called rt‐UCl6, crystallizes in the trigonal space group Ptrue3‾ m1, No. 164, hP21, with a=10.907(2), c=5.9883(12) Å, V=616.9(2) Å3, Z=3 at T=253 K. A new low‐temperature (lt) modification of UCl6 is also presented that was obtained by cooling a single crystal of rt‐UCl6. The phase change occurs between 150 and 175 K. lt‐UCl6 crystallizes isotypic to a low‐temperature modification of SF6 in the monoclinic crystal system, space group C2/m, No. 12, mS42, with a=17.847(4), b=10.8347(18), c=6.2670(17) Å, β=96.68(2)°, V=1203.6(5) Å3, Z=6 at 100 K. The Cl anions form a close‐packed structure corresponding to the α‐Sm type with uranium atoms in the octahedral voids. During the synthesis of UBr5 a new modification was obtained that crystallizes in the triclinic crystal system, space group Ptrue1‾ , No. 2, aP36, with a=10.4021(6), b=11.1620(6), c=12.2942(7) Å, α=68.3340(10)°, β=69.6410(10)° and γ=89.5290(10)°, V=1231.84(12) Å3, Z=3 at T=100 K. In this structure the UBr5 units are dimerized to U2Br10 molecules. The Br anions also form a close‐packed structure of the α‐Sm type with adjacent uranium atoms in the octahedral voids. Comparisons of the crystal structures of the compounds MX5 (M=Pa, U; X=Cl, Br) show that the crystal structure of monoclinic α‐PaBr5 is probably not correct.

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Section: Resultssupporting

confidence: 78%

“…4.5 )a nd b-UF 5 (4.5 and 4.6 )w ith differentc oordi-nation polyhedra. [38,39] We note that the intramolecular UÀU distance in the triclinic b-UBr 5 by Wilson and co-workersi s 4.43 (5) , [23] which is in good agreement within the doubled standarduncertainty.…”

Section: Lt-uclsupporting

confidence: 71%

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

Deubner

Rudel

Sachs

et al. 2019

Chemistry A European J

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“…The U−F (2.014(5)–2.071(6) Å) and U−F μ (2.227(6)–2.330(5) Å) atomic distances of compound 1 in the crystal structure are comparable to those of both known pure uranium(V) fluorides, showing only minor increases of the atomic distances due to the coordination of HCN molecules (α‐UF 5 ,

\frac{0pt}{1}

[UF 4/1 F 2/2 ], T =n.a., distances in [Å]: U−F 2.020(5), U−F μ 2.236(1); β‐UF 5 ,

\frac{0pt}{1}

[UF 2/1 F 6/2 ], T =RT, distances in [Å]: U−F 1.96(2), U−F μ 2.27(2)) . The C−F interchain atomic distances (2.963(2)–3.212(2) Å) are in the range of possible, albeit weak, hydrogen bonding, with resulting ∡CHF angles in the range of 110.1–156.3°.…”

Section: Methodsmentioning

confidence: 99%

A 1D Coordination Polymer of UF₅ with HCN as a Ligand

Scheibe

Rudel

Buchner

et al. 2016

Chemistry A European J

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β-Uranium(V) fluoride was reacted with liquid anhydrous hydrogen cyanide to obtain a 1D coordination polymer with the composition 1∞ [UF (HCN) ], 1∞ [UF F - (HCN) ], revealed by single-crystal X-ray structure determination. The reaction system was furthermore studied by means of vibrational and NMR spectroscopy, as well as by quantum chemical calculations. The compound presents the first described polymeric HCN Lewis adduct and the first HCN adduct of a uranium fluoride.

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“…With 3.8913(10) Å, the U–U distance within the dinuclear complex is small for a U V fluoride compound. In comparison, α‐UF 5 shows a U–U interchain distance of circa 4.5 Å and β‐UF 5 shows U–U distances of 4.5 and 4.6 Å …”

Section: Figurementioning

confidence: 96%

The [U₂F₁₂]²⁻ Anion of Sr[U₂F₁₂]

et al. 2018

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The D -symmetric dinuclear complex anion [U F ] of pastel green Sr[U F ] shows a hitherto unknown structural feature: The coordination polyhedra around the U atoms are edge-linked monocapped trigonal prisms, the U atoms are therefore seven-coordinated. This leads to a U-U distance of 3.8913(6) Å. A weak U -U interaction is observed for the dinuclear [U F ] complex and described by the antiferromagnetic exchange J of circa -29.9 cm . The crystalline compound can be easily prepared from SrF and β-UF in anhydrous hydrogen fluoride (aHF) at room temperature. It was studied by means of single crystal X-ray diffraction, IR, Raman and UV/VIS spectroscopy, magnetic measurements, and by molecular as well as by solid-state quantum chemical calculations.

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Single-crystal X-ray study of β-uranium pentafluoride. The eight coordination of U^V

Cited by 34 publications

References 6 publications

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

A 1D Coordination Polymer of UF₅ with HCN as a Ligand

The [U₂F₁₂]²⁻ Anion of Sr[U₂F₁₂]

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Single-crystal X-ray study of β-uranium pentafluoride. The eight coordination of UV

Cited by 34 publications

References 6 publications

A Revised Structure Model for the UCl6 Structure Type, Novel Modifications of UCl6 and UBr5, and a Comment on the Modifications of Protactinium Pentabromides

A Revised Structure Model for the UCl6 Structure Type, Novel Modifications of UCl6 and UBr5, and a Comment on the Modifications of Protactinium Pentabromides

A 1D Coordination Polymer of UF5 with HCN as a Ligand

The [U2F12]2− Anion of Sr[U2F12]

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Single-crystal X-ray study of β-uranium pentafluoride. The eight coordination of U^V

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

A Revised Structure Model for the UCl₆ Structure Type, Novel Modifications of UCl₆ and UBr₅, and a Comment on the Modifications of Protactinium Pentabromides

A 1D Coordination Polymer of UF₅ with HCN as a Ligand

The [U₂F₁₂]²⁻ Anion of Sr[U₂F₁₂]