Information card for entry 7012802

Structure parameters

• Formula: C23 H28 Bi Cl N2 O P2 S
• Calculated formula: C23 H28 Bi Cl N2 O P2 S
• SMILES: [Bi]12(Cl)([S]=P(N=P(O1)(C)C)(c1ccccc1)c1ccccc1)[N](Cc1c2cccc1)(C)C
• Title of publication: Hypervalent 5?Bi?12 derivatives containing dichalcogenoimidodiphosphinato ligands. Crystal structure and solution behaviour of [2-(Me2NCH2)C6H4]BiCl[(XPR2)(YPR?2)N] (X, Y = O, S, Se; R, R? = Me, Ph)
• Authors of publication: Balazs, Lucia; Stanga, Olimpiu; Breunig, Hans J.; Silvestru, Cristian
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2237
• a: 12.489 ± 0.001 Å
• b: 19.234 ± 0.001 Å
• c: 21.543 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5174.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No