Information card for entry 4066473

Structure parameters

• Formula: C9 H13 I2 Sb
• Calculated formula: C9 H13 I2 Sb
• SMILES: [Sb](I)(I)C3(C(=C(C(=C3)C)C)C)C
• Title of publication: Influence of Ring Methylation in Group 15 Tetramethylcyclopentadienyl Complexes, M(C5Me4H)nI3−n(M = As, Sb)†
• Authors of publication: Chmely, Stephen C.; Hanusa, Timothy P.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5551
• a: 9.74 ± 0.002 Å
• b: 8.75 ± 0.002 Å
• c: 15.39 ± 0.003 Å
• α: 90°
• β: 96.67 ± 0.03°
• γ: 90°
• Cell volume: 1302.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No