Information card for entry 5000297

Structure parameters

• Common name: MSC01007
• Formula: C48 H50 B2 F8 N4
• Calculated formula: C48 H50 B2 F8 N4
• Title of publication: Macrocyclic Metalloenediynes of Cu(II) and Zn(II): A Thermal Reactivity Comparison
• Authors of publication: Tilak Chandra; Maren Pink; Jeffrey M. Zaleski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5878 - 5885
• a: 9.0324 ± 0.0007 Å
• b: 10.5874 ± 0.0008 Å
• c: 12.5495 ± 0.001 Å
• α: 93.64 ± 0.002°
• β: 106.299 ± 0.002°
• γ: 110.788 ± 0.002°
• Cell volume: 1058.95 ± 0.14 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No