Information card for entry 7013129

Structure parameters

• Formula: C163.5 H197.85 Ba N26.75 Ni8 O35.7
• Calculated formula: C163.5 H178.9 Ba N26.75 Ni8 O35.7
• Title of publication: Novel topologies in NiII cluster chemistry: Incorporation of alkaline-earth metals in the new [NiII6MgII2] and [NiII8MII](M = Sr, Ba) cages
• Authors of publication: Guillem Aromí; Olivier Roubeau; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3436 - 3442
• a: 19.157 ± 0.003 Å
• b: 19.344 ± 0.003 Å
• c: 30.721 ± 0.004 Å
• α: 83.202 ± 0.002°
• β: 89.547 ± 0.002°
• γ: 60.687 ± 0.002°
• Cell volume: 9840 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1338
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.6932 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No