Information card for entry 7022271

Structure parameters

• Formula: C14 H19 N7
• Calculated formula: C14 H19 N7
• SMILES: n1(nccc1)CCN(CCn1nccc1)Cn1nccc1
• Title of publication: Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.
• Authors of publication: Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2174 - 2185
• a: 8.6809 ± 0.0014 Å
• b: 9.4471 ± 0.0016 Å
• c: 10.1041 ± 0.0016 Å
• α: 80.019 ± 0.008°
• β: 66.216 ± 0.007°
• γ: 87.123 ± 0.008°
• Cell volume: 746.6 ± 0.2 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No