Information card for entry 4320586

Structure parameters

• Formula: C30 H30 N12 O2
• Calculated formula: C30 H30 N12 O2
• SMILES: C(COCc1ccc(COCC(n2cccn2)(n2cccn2)n2cccn2)cc1)(n1cccn1)(n1cccn1)n1cccn1
• 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: 9.1965 ± 0.0009 Å
• b: 12.9185 ± 0.0012 Å
• c: 12.7306 ± 0.0012 Å
• α: 90°
• β: 104.099 ± 0.002°
• γ: 90°
• Cell volume: 1466.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No