Information card for entry 4313768

Structure parameters

• Formula: C30 H30 N12 O2
• Calculated formula: C30 H30 N12 O2
• SMILES: C(COCc1c(cccc1)COCC(n1cccn1)(n1cccn1)n1cccn1)(n1cccn1)(n1cccn1)n1cccn1
• Title of publication: Influences of Changes in Multitopic Tris(pyrazolyl)methane Ligand Topology on Silver(I) Supramolecular Structures
• Authors of publication: Daniel L. Reger; Radu F. Semeniuc; Ioan Silaghi-Dumitrescu; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3751 - 3764
• a: 16.3157 ± 0.0013 Å
• b: 8.588 ± 0.0006 Å
• c: 21.9227 ± 0.0017 Å
• α: 90°
• β: 100.134 ± 0.002°
• γ: 90°
• Cell volume: 3023.9 ± 0.4 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: 0.073
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No