Information card for entry 4346985

Structure parameters

• Formula: C43 H44 B4 Br4 N2 O6 Sn
• Calculated formula: C36 H36 B4 Br4 N2 O6 Sn
• SMILES: [Sn]123(OB(OB(O1)c1ccc(Br)cc1)c1ccc(Br)cc1)(OB(OB(O2)c1ccc(Br)cc1)c1ccc(Br)cc1)[N](Cc1c3c(ccc1)C[NH+](C)C)(C)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: 14.082 ± 0.001 Å
• b: 15.027 ± 0.0006 Å
• c: 22.8241 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4829.8 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No