Information card for entry 7030405

Structure parameters

• Formula: C12 H19 Bi N4 O7
• Calculated formula: C12 H19 Bi N4 O7
• SMILES: [Bi]12(c3c(cccc3C[N]2(C)C)C[N]1(C)C)(ON(=O)=O)ON(=O)=O.O
• Title of publication: Organobismuth compounds with the pincer ligand 2,6-(Me2NCH2)2C6H3: monoorganobismuth(III) carbonate, sulfate, nitrate, and a diorganobismuthenium(III) salt.
• Authors of publication: Breunig, Hans J.; Nema, Mihai G.; Silvestru, Cristian; Soran, Albert P.; Varga, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 46
• Pages of publication: 11277 - 11284
• a: 9.218 ± 0.006 Å
• b: 9.495 ± 0.007 Å
• c: 10.582 ± 0.007 Å
• α: 80.515 ± 0.012°
• β: 72.286 ± 0.011°
• γ: 89.41 ± 0.011°
• Cell volume: 869.4 ± 1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 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: 0.0488
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No