Information card for entry 7212836

Structure parameters

• Formula: C30 H24 N12
• Calculated formula: C30 H24 N12
• SMILES: n1c(cccc1)c1nnn(c1)Cc1cc(Cn2nnc(c3ncccc3)c2)cc(Cn2nnc(c3ncccc3)c2)c1
• Title of publication: Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box
• Authors of publication: Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3642
• a: 9.11 ± 0.005 Å
• b: 10.485 ± 0.005 Å
• c: 14.4 ± 0.008 Å
• α: 74.055 ± 0.007°
• β: 81.433 ± 0.007°
• γ: 86.057 ± 0.005°
• Cell volume: 1307.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1127
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No