Information card for entry 1552011

Structure parameters

• Chemical name: Np(L)Cl
• Formula: C32 H36 Cl N2 Np
• Calculated formula: C32 H36 Cl N2 Np
• SMILES: c12ccc3C(C)(C)c4cccc(c4)C(C)(c4ccc(n4[Np](n13)Cl)C(C)(C)c1cccc(c1)C2(C)C)C
• 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: 18.991 ± 0.0014 Å
• b: 14.9865 ± 0.0011 Å
• c: 10.1443 ± 0.0008 Å
• α: 90°
• β: 110.321 ± 0.001°
• γ: 90°
• Cell volume: 2707.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No