Information card for entry 7703036

Structure parameters

• Formula: C132 H159 N4 O2 P4
• Calculated formula: C132 H159 N4 O2 P4
• 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: 12.9095 ± 0.0006 Å
• b: 21.2248 ± 0.0012 Å
• c: 23.3462 ± 0.0011 Å
• α: 66.943 ± 0.005°
• β: 81.227 ± 0.004°
• γ: 81.959 ± 0.004°
• Cell volume: 5794.4 ± 0.5 ų
• Cell temperature: 293.12 ± 0.1 K
• Ambient diffraction temperature: 293.12 ± 0.1 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: 0.0945
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No