Information card for entry 7101249

Structure parameters

• Common name: Ferrocene@MOF-5
• Formula: C94 H82 Fe7 O13 Zn4
• Calculated formula: C93.9 H72 Fe7 O13 Zn4
• Title of publication: Vapor phase inclusion of ferrocene and its derivative in a microporous metal–organic porous material and its structural characterization by single crystal X-ray diffraction
• Authors of publication: Kim, Hyunuk; Chun, Hyungphil; Kim, Ghyung-Hwa; Lee, Heung-Soo; Kim, Kimoon
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 26
• Pages of publication: 2759 - 2761
• a: 25.507 ± 0.003 Å
• b: 25.507 ± 0.003 Å
• c: 25.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16594 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: whitebeam
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No