Information card for entry 4311665

Structure parameters

• Chemical name: Cyclobis[(1,8-bis(4-pyridylethynyl)anthracene(Mn(II)-diacetate)]
• Formula: C64 H44 Mn2 N4 O8
• Calculated formula: C64 H44 Mn2 N4 O8
• Title of publication: Synthesis and Crystal Structure of Two New Discrete, Neutral Complexes of Manganese and Zinc Using a Rigid Organic Clip
• Authors of publication: Partha Sarathi Mukherjee; Kil Sik Min; Atta M. Arif; Peter J. Stang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6345 - 6350
• a: 12.7201 ± 0.0005 Å
• b: 14.1821 ± 0.0005 Å
• c: 15.589 ± 0.0004 Å
• α: 103.511 ± 0.0019°
• β: 91.1155 ± 0.002°
• γ: 109.13 ± 0.0016°
• Cell volume: 2569.23 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1621
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No