Information card for entry 7019310

Structure parameters

• Formula: C35 H28 Bi Cl3 N4
• Calculated formula: C35 H28 Bi Cl3 N4
• SMILES: [Bi]1(Cl)(Cl)(Cl)[N]2=C3C(=[N]1c1ccccc1CCc1nc(ccc1)CCc1ccccc21)c1cccc2c1c3ccc2.N#CC
• Title of publication: Chemistry of the heavy group 15 elements with the pyridyl tethered 1,2-bis(imino)acenaphthene "clamshell" ligand.
• Authors of publication: Brazeau, Allison L.; Jones, Nathan D.; Ragogna, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7890 - 7896
• a: 15.192 ± 0.003 Å
• b: 18.558 ± 0.004 Å
• c: 22.275 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6280 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1367
• 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