Information card for entry 4317733

Structure parameters

• Formula: C48 H56 N24 O16 Sn7
• Calculated formula: C48 H56 N24 O16 Sn7
• SMILES: [N]12(c3nc(cc(n3)OC)OC)[Sn]3[N]4(c5nc(OC)cc(n5)OC)[Sn]567([N]([Sn]1[N]35c1nc(cc(n1)OC)OC)([Sn]24)c1nc(cc(n1)OC)OC)[N]1(c2nc(cc(n2)OC)OC)[Sn]2[N]3(c4nc(cc(n4)OC)OC)[Sn]([N]62c2nc(cc(n2)OC)OC)[N]7(c2nc(cc(n2)OC)OC)[Sn]13
• 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: 12.779 ± 0.006 Å
• b: 12.754 ± 0.007 Å
• c: 13.155 ± 0.005 Å
• α: 91.91 ± 0.03°
• β: 115.07 ± 0.02°
• γ: 117.1 ± 0.04°
• Cell volume: 1659.3 ± 1.7 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No