Information card for entry 7705274

Structure parameters

• Formula: C62 H68 N4 P2
• Calculated formula: C62 H68 N4 P2
• Title of publication: Reversible switching between housane and cyclopentanediyl isomers: an isonitrile-catalysed thermal reverse reaction.
• Authors of publication: Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Schulz, Axel; Villinger, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 40
• Pages of publication: 13986 - 13992
• a: 18.4644 ± 0.0018 Å
• b: 12.0348 ± 0.0012 Å
• c: 47.112 ± 0.005 Å
• α: 90°
• β: 95.726 ± 0.002°
• γ: 90°
• Cell volume: 10416.8 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No