Information card for entry 7715199

Structure parameters

• Chemical name: TT-500
• Formula: C28 H48 N4 P2 Se2
• Calculated formula: C28 H48 N4 P2 Se2
• SMILES: [Se]=C1N(C2P3C4N(C(=[Se])N(C=4P(C=2N1CCCC)[C@@H]([C@H]3CC)CC)CCCC)CCCC)CCCC.[Se]=C1N(C2P3C4N(C(=[Se])N(C=4P(C=2N1CCCC)[C@H]([C@@H]3CC)CC)CCCC)CCCC)CCCC
• Title of publication: Application of phosphorus-bridged rigid, bent bis(NHCs) as dipodal ligands in main group and transition metal chemistry.
• 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: 11
• Pages of publication: 5043 - 5050
• a: 10.1836 ± 0.0004 Å
• b: 11.777 ± 0.0005 Å
• c: 14.4181 ± 0.0006 Å
• α: 108.515 ± 0.002°
• β: 95.741 ± 0.003°
• γ: 97.957 ± 0.003°
• Cell volume: 1604.7 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0829
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No