Information card for entry 7718416

Structure parameters

• Formula: C50 H75 Bi Br N3 O0.99 Si2
• Calculated formula: C50 H75 Bi Br N3 O0.99 Si2
• Title of publication: A tridentate and dianionic N-heterocyclic olefin (NHO) with two unsymmetrically-tethered aryloxide sidearms on bismuth: a fortuitous followed by systematic discovery.
• Authors of publication: Goswami, Santu; Sarkar, Subham; Guha Roy, Anisha; Mallick, Dibyendu; Mukherjee, Debabrata
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 8142 - 8151
• a: 20.4928 ± 0.0003 Å
• b: 14.7259 ± 0.0002 Å
• c: 34.2124 ± 0.0006 Å
• α: 90°
• β: 95.78 ± 0.001°
• γ: 90°
• Cell volume: 10272 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2617
• Weighted residual factors for all reflections included in the refinement: 0.274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No