Information card for entry 4317736

Structure parameters

• Formula: C48 H56 N24 O2 Sn7
• Calculated formula: C48 H56 N24 O2 Sn7
• SMILES: O1CCCC1.[Sn]1234([N]5(c6nccc(C)n6)[Sn]6[N]7(c8nccc(C)n8)[Sn]([N]16c1nccc(C)n1)[N]3(c1nccc(C)n1)[Sn]57)[N]1(c3nccc(C)n3)[Sn]3[N]5(c6nccc(C)n6)[Sn]([N]23c2nccc(C)n2)[N]4(c2nccc(C)n2)[Sn]15.O1CCCC1
• Title of publication: Formation of Double Cubanes [Sn7(NR)8] in the Reactions of Pyridyl and Pyrimidinyl Amines with Sn(NMe2)2: A Synthetic and Theoretical Study
• Authors of publication: David R. Armstrong; Francesca Benevelli; Andrew D. Bond; Neil Feeder; Eilis A. Harron; Alexander D. Hopkins; Mary McPartlin; David Moncrieff; David Sáez; Elsje A. Quadrelli; Anthony D. Woods; Dominic S. Wright
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1492 - 1501
• a: 10.9902 ± 0.0006 Å
• b: 11.6813 ± 0.0005 Å
• c: 13.2627 ± 0.0009 Å
• α: 71.761 ± 0.003°
• β: 73.953 ± 0.003°
• γ: 68.437 ± 0.003°
• Cell volume: 1478.62 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.0772
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No