Information card for entry 7119217

Structure parameters

• Formula: C31 H35 As Br2
• Calculated formula: C31 H35 As Br2
• SMILES: Brc1cc2C(=[As]c3c(cc(C(C)(C)C)cc3C(C)(C)C)C(C)(C)C)c3cc(Br)ccc3c2cc1
• Title of publication: Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.
• Authors of publication: Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 1120 - 1123
• a: 10.1345 ± 0.0005 Å
• b: 23.574 ± 0.0011 Å
• c: 12.0357 ± 0.0006 Å
• α: 90°
• β: 105.189 ± 0.002°
• γ: 90°
• Cell volume: 2775 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No