Information card for entry 4071553

Structure parameters

• Formula: C36 H57 N6 Sb5
• Calculated formula: C36 H57 N6 Sb5
• SMILES: [Sb]1([Sb]2[Sb]([Sb]1[Sb]2c1c(CN(C)C)cccc1CN(C)C)c1c(cccc1CN(C)C)CN(C)C)c1c(CN(C)C)cccc1CN(C)C
• Title of publication: Syntheses and Structures of Ar3Sb5and Ar4Sb4Compounds (Ar = C6H3-2,6-(CH2NMe2)2)
• Authors of publication: Dostál, Libor; Jambor, Roman; Růžička, Aleš; Holeček, Jaroslav
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2169
• a: 10.312 ± 0.0008 Å
• b: 34.361 ± 0.004 Å
• c: 13.847 ± 0.0009 Å
• α: 90 ± 0.006°
• β: 117.132 ± 0.006°
• γ: 90 ± 0.007°
• Cell volume: 4366.5 ± 0.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No