Information card for entry 7703034

Structure parameters

• Formula: C53 H58 N2 P2
• Calculated formula: C53 H58 N2 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: 21.6214 ± 0.0012 Å
• b: 10.9205 ± 0.0005 Å
• c: 20.4742 ± 0.001 Å
• α: 90°
• β: 104.226 ± 0.006°
• γ: 90°
• Cell volume: 4686 ± 0.4 ų
• Cell temperature: 120.03 ± 0.1 K
• Ambient diffraction temperature: 120.03 ± 0.1 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: 0.0825
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No