Information card for entry 7703035

Structure parameters

• Formula: C55 H64 N2 O P2
• Calculated formula: C55 H64 N2 O P2
• Title of publication: Influence of N-heterocyclic carbenes (NHCs) on the hydrolysis of a diphosphene.
• Authors of publication: Dhara, Debabrata; Das, Shubhajit; Kalita, Pankaj; Maiti, Avijit; Pati, Swapan K.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 993 - 997
• a: 16.7505 ± 0.0007 Å
• b: 16.1364 ± 0.0008 Å
• c: 18.143 ± 0.0008 Å
• α: 90°
• β: 98.797 ± 0.005°
• γ: 90°
• Cell volume: 4846.2 ± 0.4 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No