Information card for entry 7035329

Structure parameters

• Formula: C20 H37 Bi N4 O4
• Calculated formula: C20 H37 Bi N4 O4
• SMILES: c12c3cccc1C[N]1(CCN(CC1)C)[Bi]12([N]2(C3)CCN(CC2)C)OCCO1.O.O
• Title of publication: A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.
• Authors of publication: Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9927 - 9942
• a: 12.6247 ± 0.0009 Å
• b: 12.1795 ± 0.0009 Å
• c: 15.7589 ± 0.0011 Å
• α: 90°
• β: 99.415 ± 0.001°
• γ: 90°
• Cell volume: 2390.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No