Information card for entry 1552012

Structure parameters

• Chemical name: Np2Cl4(L)(THF)3
• Formula: C46 H64 Cl4 N2 Np2 O3.5
• Calculated formula: C46 H64 Cl4 N2 Np2 O3.5
• SMILES: c12ccc3C(C)(c4cccc5c4[Np]467([n]13)([n]1c(C5(C)C)ccc1C(C)(c1cccc4(c61)C2(C)C)C)[Cl][Np]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([Cl]7)(Cl)Cl)C.C1COCC1
• Title of publication: Organometallic neptunium(III) complexes
• Authors of publication: Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold
• Journal of publication: Nature Chemistry
• Year of publication: 2016
• Journal volume: 8
• Pages of publication: 797 - 802
• a: 10.5639 ± 0.0007 Å
• b: 13.6771 ± 0.0008 Å
• c: 18.1083 ± 0.0011 Å
• α: 75.147 ± 0.001°
• β: 75.732 ± 0.001°
• γ: 84.334 ± 0.001°
• Cell volume: 2449.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No