Information card for entry 7004342

Structure parameters

• Formula: C48 H40 B N Se2
• Calculated formula: C48 H40 B N Se2
• SMILES: [N+](=[Se](c1ccccc1)c1ccccc1)=[Se](c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The first use of the free selenimide Ph2SeNH as a synthon; the synthesis and X-ray crystal structure of [Ph2SeNSePh2][BPh4]
• Authors of publication: Elsegood, Mark R. J.; Kelly, Paul F.; Reid, Gillian; Staniland, Paul M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 29
• Pages of publication: 3798 - 3800
• a: 10.9985 ± 0.0004 Å
• b: 15.9145 ± 0.0006 Å
• c: 24.0519 ± 0.001 Å
• α: 85.7218 ± 0.0006°
• β: 76.9512 ± 0.0006°
• γ: 71.9053 ± 0.0006°
• Cell volume: 3898.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No