Information card for entry 4310891

Structure parameters

• Formula: C62 H62 B F4 O4 P2 Rh
• Calculated formula: C62 H62 B F4 O4 P2 Rh
• Title of publication: Metallic Macrocycle with a 1,3-Alternate Calix[4]arene Phosphorus Ligand
• Authors of publication: Sanghoon Kim; Jong Seung Kim; Ok Jae Shon; Shim Sung Lee; Ki-Min Park; Sang Ook Kang; Jaejung Ko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2906 - 2913
• a: 14.6562 ± 0.0008 Å
• b: 13.8847 ± 0.0007 Å
• c: 27.5461 ± 0.0014 Å
• α: 90°
• β: 100.669 ± 0.001°
• γ: 90°
• Cell volume: 5508.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No