Information card for entry 7012804

Structure parameters

• Formula: C33 H32 Bi Cl N2 P2 Se2
• Calculated formula: C33 H32 Bi Cl N2 P2 Se2
• SMILES: [Bi]12([Se]=P(N=P([Se]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[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: 12.111 ± 0.003 Å
• b: 14.046 ± 0.003 Å
• c: 20.102 ± 0.008 Å
• α: 90°
• β: 103.6 ± 0.02°
• γ: 90°
• Cell volume: 3323.7 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1021
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No