Information card for entry 7204790

Structure parameters

• Formula: C32 H16 Bi F15 N2 O S3
• Calculated formula: C32 H16 Bi F15 N2 O S3
• SMILES: [Bi](Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)([n]1ccc(cc1)c1ccncc1)[O]1CCCC1
• Title of publication: Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands
• Authors of publication: Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 29
• a: 9.4389 ± 0.0011 Å
• b: 18.206 ± 0.002 Å
• c: 19.514 ± 0.002 Å
• α: 90°
• β: 94.385 ± 0.002°
• γ: 90°
• Cell volume: 3343.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No