Information card for entry 4088727

Structure parameters

• Formula: C61 H95 Cl3 N6 O4 Sn3
• Calculated formula: C45 H63 Cl3 N6 Sn3
• SMILES: [Sn]1(Cl)N2Cc3c(c4C[N]5=C(C=C(N([Sn]5Cl)Cc5c(c(C[N]1=C(C=C2C)C)c(c(CN1[Sn](Cl)[N](Cc(c4CC)c3CC)=C(C=C1C)C)c5CC)CC)CC)C)C)CC
• Title of publication: Synthesis of Trinuclear Tin(II), Germanium(II), and Aluminum(III) Cyclophane Complexes
• Authors of publication: Ermert, David M.; Gordon, Jesse B.; Abboud, Khalil A.; Murray, Leslie J.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3651
• a: 16.0779 ± 0.0016 Å
• b: 18.9798 ± 0.0019 Å
• c: 22.291 ± 0.002 Å
• α: 85.9477 ± 0.0017°
• β: 82.3548 ± 0.0016°
• γ: 76.8208 ± 0.0016°
• Cell volume: 6558.4 ± 1.1 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: 0.0824
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No