Information card for entry 7018063

Structure parameters

• Formula: C100 H100 B2 N4 O4 Sn4
• Calculated formula: C100 H100 B2 N4 O4 Sn4
• SMILES: B12N(c3c(cccc3)N(B1N(c1c(N2[Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Diborane(4) compounds with bidentate diamino groups.
• Authors of publication: Xie, Xiaochen; Haddow, Mairi F.; Mansell, Stephen M.; Norman, Nicholas C.; Russell, Christopher A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2140 - 2147
• a: 13.3291 ± 0.0005 Å
• b: 13.4745 ± 0.0009 Å
• c: 13.7149 ± 0.0005 Å
• α: 95.346 ± 0.003°
• β: 118.325 ± 0.002°
• γ: 94.865 ± 0.003°
• Cell volume: 2135.36 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.071
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No