Information card for entry 7227342

Structure parameters

• Formula: C72 H98 N6 O2 Sn2
• Calculated formula: C72 H98 N6 O2 Sn2
• SMILES: [Sn]1([N]([Sn]([N]1=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C1C=CC=C1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C1C=CC=C1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis of a cyclopentadienyl(imino)stannylene and its direct conversion into halo(imino)stannylenes
• Authors of publication: Ochiai, Tatsumi; Inoue, Shigeyoshi
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 801
• a: 11.0955 ± 0.0003 Å
• b: 23.0198 ± 0.0005 Å
• c: 25.7805 ± 0.0006 Å
• α: 90°
• β: 95.263 ± 0.002°
• γ: 90°
• Cell volume: 6557 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No