Information card for entry 4334637

Structure parameters

• Formula: C98.75 H85.25 N10.88 Ni5 O19.25
• Calculated formula: C88.75 H72.75 N19.75 Ni5 O17.26
• Title of publication: Isolation of Elusive Tetranuclear and Pentanuclear M(II)-Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes
• Authors of publication: Joseph Jankolovits; Jeff W. Kampf; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5063 - 5076
• a: 13.1078 ± 0.0002 Å
• b: 15.7214 ± 0.0003 Å
• c: 21.343 ± 0.0015 Å
• α: 85.346 ± 0.006°
• β: 85.445 ± 0.006°
• γ: 85.262 ± 0.006°
• Cell volume: 4357 ± 0.3 ų
• Cell temperature: 358 ± 2 K
• Ambient diffraction temperature: 358 ± 2 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: 0.0878
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No