Information card for entry 7716811

Structure parameters

• Chemical name: TT-893
• Formula: C25 H48 B2 Cl2 N4 P2 Se2
• Calculated formula: C25 H48 B2 Cl2 N4 P2 Se2
• Title of publication: Tapping into the coordinative potential of a <i>C</i>-functional 1,4-diphosphabarrelene using two sets of complementary ligand centres.
• Authors of publication: Terschüren, Tatjana; Schnakenburg, Gregor; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 32
• Pages of publication: 13335 - 13339
• a: 9.5526 ± 0.0007 Å
• b: 15.9233 ± 0.0012 Å
• c: 23.092 ± 0.002 Å
• α: 90°
• β: 101.475 ± 0.006°
• γ: 90°
• Cell volume: 3442.3 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0856
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No