Information card for entry 4323251

Structure parameters

• Formula: C92.25 H89.4 Cl2 N14 Ni10 O32.45
• Calculated formula: C92.25 H51 Cl2 N14 Ni10 O32.45
• Title of publication: The First Fused Dimer Metallacrown NiII2(mcpa)2(CH3OH)3(H2O)[12-MCNiIIN(shi)2(pko)2-4][12-MCNiIIN(shi)3(pko)-4]
• Authors of publication: George Psomas; Catherine Dendrinou-Samara; Maria Alexiou; Alexandros Tsohos; Catherine P. Raptopoulou; Aris Terzis; Dimitris P. Kessissoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6556 - 6557
• a: 21.691 ± 0.009 Å
• b: 16.843 ± 0.008 Å
• c: 17.767 ± 0.008 Å
• α: 106.41 ± 0.02°
• β: 100.2 ± 0.01°
• γ: 99.81 ± 0.02°
• Cell volume: 5959 ± 5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.218
• Weighted residual factors for significantly intense reflections: 0.17
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No