Information card for entry 7026321

Structure parameters

• Formula: C43 H51 Co N3 O2
• Calculated formula: C43 H51 Co N3 O2
• SMILES: [Co]123(Oc4c(cc(cc4c4[n]2c(ccc4)c2[n]3c(ccc2)c2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[n]1ccccc1
• Title of publication: Co(II), Ni(II), Cu(II) and Zn(II) complexes of a bipyridine bis-phenol conjugate: generation and properties of coordinated radical species.
• Authors of publication: Arora, Himanshu; Philouze, Christian; Jarjayes, Olivier; Thomas, Fabrice
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10088 - 10098
• a: 30.036 ± 0.004 Å
• b: 9.288 ± 0.004 Å
• c: 27.611 ± 0.004 Å
• α: 90°
• β: 98.65 ± 0.01°
• γ: 90°
• Cell volume: 7615 ± 4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0583
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections: 1.906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.906
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No