Information card for entry 7211835

Structure parameters

• Common name: [Co(II)(H2O)(dipic)(4,4'-bipy)](H2O)
• Formula: C24 H28 Co2 N4 O15
• Calculated formula: C24 H26 Co2 N4 O15
• SMILES: c12[n]3c(C(=O)O[Co]3([n]3ccc(c4cc[n]([Co]56([n]7c(cccc7C(=O)O6)C(=O)O5)([OH2])[OH2])cc4)cc3)([OH2])(OC2=O)[OH2])ccc1.O.O.O
• Title of publication: Transition metal dipicolinates as designer T-shaped building blocks
• Authors of publication: Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1576
• a: 25.23 ± 0.002 Å
• b: 10.547 ± 0.0009 Å
• c: 10.9426 ± 0.0009 Å
• α: 90°
• β: 109.021 ± 0.001°
• γ: 90°
• Cell volume: 2752.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No