Information card for entry 4085339

Structure parameters

• Formula: C54 H88 N4 O2 Sn
• Calculated formula: C54 H88 N4 O2 Sn
• SMILES: [Sn]123(Oc4c(O1)c(C(C)(C)C)cc(c4)C(C)(C)C)(N(C1CCCCC1)C(=[N]3C1CCCCC1)CCCC)N(C1CCCCC1)C(=[N]2C1CCCCC1)CCCC.c1ccccc1
• Title of publication: Oxidative Additions of Homoleptic Tin(II) Amidinate
• Authors of publication: Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Alonso, Mercedes; De Proft, Frank; Kampová, Hana; Brus, Jiří; Růžička, Aleš
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 606
• a: 10.211 ± 0.0011 Å
• b: 22.631 ± 0.003 Å
• c: 22.979 ± 0.0018 Å
• α: 90°
• β: 99.13 ± 0.007°
• γ: 90°
• Cell volume: 5242.8 ± 1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1001
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No