Information card for entry 4337901

Structure parameters

• Formula: C58 H94 Bi2 Cl5 Ga N4 Si2
• Calculated formula: C58 H94 Bi2 Cl5 Ga N4 Si2
• SMILES: [Bi]1([Cl][Bi]2N(c3c(cccc3C(C)C)C(C)C)[Si](N2c2c(cccc2C(C)C)C(C)C)(C)C)N(c2c(cccc2C(C)C)C(C)C)[Si](N1c1c(cccc1C(C)C)C(C)C)(C)C.[Ga]([Cl-])(Cl)(Cl)Cl.CCCCCC
• Title of publication: Low-Coordinate Bismuth Cations.
• Authors of publication: Schwamm, Ryan J.; Day, Benjamin M.; Coles, Martyn P.; Fitchett, Christopher M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3778
• a: 12.8472 ± 0.0005 Å
• b: 17.0713 ± 0.0007 Å
• c: 17.4081 ± 0.0007 Å
• α: 117.739 ± 0.004°
• β: 92.142 ± 0.003°
• γ: 90.447 ± 0.003°
• Cell volume: 3375.4 ± 0.3 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No