Information card for entry 4348228

Structure parameters

• Formula: C56 H70 Bi Cl4 P3
• Calculated formula: C56 H70 Bi Cl4 P3
• SMILES: [Bi](c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2)(c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2)c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2.ClCCl.ClCCl
• Title of publication: Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.
• Authors of publication: Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 7117 - 7125
• a: 15.329 ± 0.004 Å
• b: 15.625 ± 0.003 Å
• c: 23.821 ± 0.004 Å
• α: 108.051 ± 0.013°
• β: 99.74 ± 0.02°
• γ: 94.797 ± 0.018°
• Cell volume: 5290 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No