Information card for entry 4319131

Structure parameters

• Formula: C30 H24 Cl2 Co N6 O11
• Calculated formula: C30 H22 Cl2 Co N6 O11
• SMILES: [Co]1234([n]5c(c6[n]3cccc6)cc(O)cc5c3[n]4cccc3)[n]3c(c4[n]1cccc4)cc(O)cc3c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: [CoII(4-terpyridone)2]X2: A Novel Cobalt(II) Spin Crossover System [4-Terpyridone = 2,6-Bis(2-pyridyl)-4(1H)-pyridone]
• Authors of publication: Ana B. Gaspar; M. Carmen Muñoz; Virginie Niel; José Antonio Real
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 9 - 10
• a: 8.7978 ± 0.0009 Å
• b: 9.0493 ± 0.0014 Å
• c: 20.303 ± 0.002 Å
• α: 90°
• β: 98.049 ± 0.007°
• γ: 90°
• Cell volume: 1600.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.1516
• Weighted residual factors for significantly intense reflections: 0.1257
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No