Information card for entry 4306782

Structure parameters

• Common name: In(OEPO)(py)2
• Formula: C46 H53 In N6 O
• Calculated formula: C46 H53 In N6 O
• Title of publication: Cleavage of the Indium(III) Octaethyloxophlorin Dimer, {InIII(OEPO)}2, with Lewis Bases. Importance of Outer-Sphere Hydrogen Bonding in Adduct Structures
• Authors of publication: Thelma Y. Garcia; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11417 - 11422
• a: 9.8499 ± 0.0007 Å
• b: 10.3078 ± 0.0007 Å
• c: 10.4743 ± 0.0007 Å
• α: 80.364 ± 0.002°
• β: 89.692 ± 0.001°
• γ: 65.946 ± 0.001°
• Cell volume: 955.08 ± 0.11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.0519
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No