Information card for entry 7701707

Structure parameters

• Formula: C64 H84.4 N48 Ni8 O10.2
• Calculated formula: C64 H76 N48 Ni8 O10.2
• Title of publication: Click chemistry as a route to the synthesis of structurally new and magnetically interesting coordination clusters: a {Ni} complex with a trapezoidal prismatic topology.
• Authors of publication: Abbasi, Parisa; Athanasopoulou, Angeliki A.; Mazarakioti, Eleni C.; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Pilkington, Melanie; Stamatatos, Theocharis C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11632 - 11636
• a: 18.5858 ± 0.0008 Å
• b: 24.9993 ± 0.001 Å
• c: 40.622 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18874.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2535
• Weighted residual factors for all reflections included in the refinement: 0.2983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No