Information card for entry 7052395

Structure parameters

• Formula: C38 H26 Cl12 N8
• Calculated formula: C38 H26 Cl12 N8
• SMILES: c1cccc(c2cc(c3ccc(c4cc(c5ccccn5)nnc4c4ncccc4)cc3)c(nn2)c2ncccc2)n1.C(Cl)(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis of pyridazinyl ligands for multimetallic complexes
• Authors of publication: Frédéric Thébault; Alexander J. Blake; Claire Wilson; Neil R. Champness; Martin Schröder
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 1498
• a: 6.2391 ± 0.0004 Å
• b: 11.626 ± 0.0008 Å
• c: 15.4933 ± 0.0011 Å
• α: 93.237 ± 0.001°
• β: 91.763 ± 0.001°
• γ: 100.927 ± 0.001°
• Cell volume: 1100.7 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.6768 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No