Information card for entry 4109698

Structure parameters

• Formula: C70 H54 N10 O12 Zn2
• Calculated formula: C70 H54 N10 O12 Zn2
• Title of publication: Exciplex Fluorescence as a Diagnostic Probe of Structure in Coordination Polymers of Zn2+and 4,4'-Bipyridine Containing Intercalated Pyrene and Enclathrated Aromatic Solvent Guests
• Authors of publication: Gregory J. McManus; John J. Perry; Mark Perry; Brian D. Wagner; Michael J. Zaworotko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9094 - 9101
• a: 11.3718 ± 0.0009 Å
• b: 15.1633 ± 0.0012 Å
• c: 17.9472 ± 0.0015 Å
• α: 88.393 ± 0.002°
• β: 73.215 ± 0.001°
• γ: 87.949 ± 0.002°
• Cell volume: 2960.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No