Information card for entry 4109699

Structure parameters

• Formula: C68 H49 Cl N10 O12 Zn2
• Calculated formula: C68 H49 Cl 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: 11.3364 ± 0.0012 Å
• b: 15.1363 ± 0.0016 Å
• c: 18.0214 ± 0.0019 Å
• α: 87.884 ± 0.002°
• β: 72.04 ± 0.002°
• γ: 88.328 ± 0.002°
• Cell volume: 2939.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No