Information card for entry 4069467

Structure parameters

• Formula: C21 H14 Bi N3 O13
• Calculated formula: C21 H14 Bi N3 O13
• Title of publication: Synthesis, Ethanolysis, and Hydrolysis of Bismuth(III)ortho-Nitrobenzoate Complexes en Route to a Pearl Necklace-like Polymer of Bi10Oxo-Clusters
• Authors of publication: Andrews, Philip C.; Deacon, Glen B.; Junk, Peter C.; Kumar, Ish; MacLellan, Jonathan G.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 3999
• a: 12.4029 ± 0.0003 Å
• b: 6.978 ± 0.0001 Å
• c: 26.3531 ± 0.0004 Å
• α: 90°
• β: 100.215 ± 0.001°
• γ: 90°
• Cell volume: 2244.64 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0802
• 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