Information card for entry 7024885

Structure parameters

• Common name: tert-butyl-calix(4)arene(OMe)2(OCH2PPh2)2-(Ir4(CO)11)2
• Chemical name: tert-butyl-calix[4]arene(OMe)2(OCH2PPh2)2-(Ir4(CO)11)2
• Formula: C94 H82 Ir8 O26 P2
• Calculated formula: C94 H82 Ir8 O26 P2
• Title of publication: Patterned metal polyhedra using calixarenes as organizational scaffolds: Ir4-based cluster assemblies.
• Authors of publication: de Silva, Namal; Solovyov, Andrew; Katz, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2194 - 2197
• a: 17.843 ± 0.003 Å
• b: 11.8513 ± 0.0019 Å
• c: 46.433 ± 0.008 Å
• α: 90°
• β: 99.136 ± 0.002°
• γ: 90°
• Cell volume: 9694 ± 3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No