Information card for entry 4066471

Structure parameters

• Formula: C27 H39 As
• Calculated formula: C27 H39 As
• SMILES: [As](C1C(=C(C(=C1C)C)C)C)(C1C(=C(C(=C1C)C)C)C)C1C(=C(C(=C1C)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: 10.5768 ± 0.0009 Å
• b: 10.995 ± 0.001 Å
• c: 11.1954 ± 0.001 Å
• α: 90.824 ± 0.001°
• β: 106.305 ± 0.001°
• γ: 110.27 ± 0.001°
• Cell volume: 1163.14 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No