Information card for entry 7018851

Structure parameters

• Common name: (Co(L)2)
• Formula: C28 H24 Co N2 O4
• Calculated formula: C28 H24 Co N2 O4
• SMILES: [Co]12(Oc3c(OC)cccc3C=[N]1c1ccccc1)Oc1c(OC)cccc1C=[N]2c1ccccc1
• Title of publication: Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.
• Authors of publication: Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 5610 - 5616
• a: 11.6622 ± 0.0008 Å
• b: 23.9507 ± 0.0013 Å
• c: 9.2521 ± 0.0006 Å
• α: 90°
• β: 109.596 ± 0.007°
• γ: 90°
• Cell volume: 2434.6 ± 0.3 ų
• Cell temperature: 296.9 K
• Ambient diffraction temperature: 296.9 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No