Information card for entry 4317734

Structure parameters

• Formula: C48 H56 N24 O8 Sn7
• Calculated formula: C48 H56 N24 O8 Sn7
• SMILES: c1([N]23[Sn]456([N]7(c8nc(C)cc(OC)n8)[Sn]8[N]9(c%10nc(OC)cc(C)n%10)[Sn]([N]48c4nc(C)cc(OC)n4)[N]6(c4nc(C)cc(OC)n4)[Sn]79)[N]4(c6nc(C)cc(OC)n6)[Sn]6[N](c7nc(OC)cc(C)n7)([Sn]24)[Sn]3[N]56c2nc(C)cc(OC)n2)nc(cc(OC)n1)C
• 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: 11.483 ± 0.002 Å
• b: 11.773 ± 0.002 Å
• c: 12.155 ± 0.002 Å
• α: 86.62 ± 0.01°
• β: 84.69 ± 0.01°
• γ: 80.74 ± 0.01°
• Cell volume: 1613.2 ± 0.5 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: 0.0833
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.1113
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No