Information card for entry 7235508

Structure parameters

• Formula: C133 H159.5 Cl5 N12.5 Ni11 O37.5
• Calculated formula: C133 H157 Cl5 N12.5 Ni11 O37.5
• Title of publication: Rare nuclearities in Ni(ii) cluster chemistry: a Ni11 cage from the first use of N-salicylidene-2-amino-5-chlorobenzoic acid in metal cluster chemistry
• Authors of publication: Athanasopoulou, Angeliki A.; Raptopoulou, Catherine P.; Escuer, Albert; Stamatatos, Theocharis C.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 25
• Pages of publication: 12680
• a: 27.09 ± 0.003 Å
• b: 22.251 ± 0.002 Å
• c: 28.725 ± 0.003 Å
• α: 90°
• β: 114.718 ± 0.004°
• γ: 90°
• Cell volume: 15728 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No