Information card for entry 7018850

Structure parameters

• Common name: (Co7(OH)6(immp-Ph)6)(NO3)2.3MeCN
• Formula: C90 H87 Co7 N12 O27
• Calculated formula: C90 H87 Co7 N12 O27
• 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: 29.2767 ± 0.0015 Å
• b: 12.9879 ± 0.0005 Å
• c: 24.4043 ± 0.0009 Å
• α: 90°
• β: 92.797 ± 0.005°
• γ: 90°
• Cell volume: 9268.5 ± 0.7 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: 0.1204
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No