Information card for entry 4346984

Structure parameters

• Formula: C43 H48 B4 N2 O6 Sn
• Calculated formula: C36 H40 B4 N2 O6 Sn
• SMILES: [Sn]123(OB(OB(O1)c1ccccc1)c1ccccc1)(OB(c1ccccc1)OB(O2)c1ccccc1)[N](C)(Cc1c3c(C[NH+](C)C)ccc1)C
• Title of publication: N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.
• Authors of publication: Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1587 - 1594
• a: 10.1391 ± 0.0009 Å
• b: 11.913 ± 0.0006 Å
• c: 17.539 ± 0.0005 Å
• α: 90°
• β: 102.792 ± 0.004°
• γ: 90°
• Cell volume: 2065.9 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0675
• 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