Information card for entry 7700500

Structure parameters

• Formula: C28 H24 N6 Ni O16
• Calculated formula: C28 H24 N6 Ni O16
• Title of publication: Exceptionally slow magnetic relaxation in a mononuclear hexacoordinate Ni(ii) complex.
• Authors of publication: Titiš, Ján; Chrenková, Veronika; Rajnák, Cyril; Moncol, Ján; Valigura, Dušan; Boča, Roman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11647 - 11650
• a: 7.9708 ± 0.0002 Å
• b: 13.7985 ± 0.0004 Å
• c: 14.68 ± 0.0004 Å
• α: 96.452 ± 0.002°
• β: 103.366 ± 0.002°
• γ: 100.715 ± 0.002°
• Cell volume: 1522.94 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No