Information card for entry 7026322

Structure parameters

• Formula: C76 H92 N4 Ni O4
• Calculated formula: C76 H92 N4 Ni2 O4
• SMILES: c12c(cc(cc1c1[n]3[Ni]4([n]5c(c6c(c(cc(c6)C(C)(C)C)C(C)(C)C)O4)cccc5c3ccc1)O2)C(C)(C)C)C(C)(C)C
• 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: 18.044 ± 0.002 Å
• b: 26.673 ± 0.009 Å
• c: 6.846 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3294.9 ± 1.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections: 1.954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No