Information card for entry 7014009

Structure parameters

• Formula: C84 H115 B6 F24 N48 Ni4 O27.5
• Calculated formula: C84 H84 B6 F24 N48 Ni4 O27.5
• Title of publication: Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.
• Authors of publication: Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1446 - 1455
• a: 24.5027 ± 0.0008 Å
• b: 24.5027 ± 0.0008 Å
• c: 84.524 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 43948 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2703
• Weighted residual factors for all reflections included in the refinement: 0.2914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No