Information card for entry 7013127

Structure parameters

• Formula: C130 H168 Mg2 N19 Ni6 O32
• Calculated formula: C130 H168 Mg2 N19 Ni6 O32
• 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: 13.3879 ± 0.0017 Å
• b: 16.4548 ± 0.0019 Å
• c: 17.029 ± 0.002 Å
• α: 97.611 ± 0.003°
• β: 96.863 ± 0.002°
• γ: 103.231 ± 0.003°
• Cell volume: 3575.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No