Information card for entry 4346986

Structure parameters

• Formula: C44 H32 B4 F24 N2 O6 Sn
• Calculated formula: C44 H32 B4 F24 N2 O6 Sn
• SMILES: [Sn]123(OB(OB(O2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(OB(OB(O1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[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: 11.932 ± 0.001 Å
• b: 12.811 ± 0.0004 Å
• c: 18.6821 ± 0.0014 Å
• α: 98.795 ± 0.004°
• β: 95.177 ± 0.005°
• γ: 114.518 ± 0.005°
• Cell volume: 2529.9 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No