Information card for entry 7211778

Structure parameters

• Common name: (Ni7(OH)6(L1)6)(NO3)2.3MeNO2
• Formula: C57 H75 N11 Ni7 O24
• Calculated formula: C57 H60 N11 Ni7 O30
• Title of publication: Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities
• Authors of publication: Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 59
• a: 13.933 ± 0.002 Å
• b: 13.933 ± 0.002 Å
• c: 22.742 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3823.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No