Information card for entry 4320587

Structure parameters

• Formula: C36 H39 B2 Cd F8 N15 O2
• Calculated formula: C36 H39 B2 Cd F8 N15 O2
• Title of publication: Supramolecular Structures of Cadmium(II) Coordination Polymers: A New Class of Ligands Formed by Linking Tripodal Tris(pyrazolyl)methane Units
• Authors of publication: Daniel L. Reger; Terri D. Wright; Radu F. Semeniuc; T. Christian Grattan; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6212 - 6219
• a: 23.023 ± 0.003 Å
• b: 12.2588 ± 0.0014 Å
• c: 18.119 ± 0.002 Å
• α: 90°
• β: 121.281 ± 0.002°
• γ: 90°
• Cell volume: 4370.4 ± 0.9 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No