Information card for entry 7006752

Structure parameters

• Formula: C64 H96 N26 Ni3 O9
• Calculated formula: C63.96 H84 N25.98 Ni3 O9.02
• Title of publication: Self-assembled meso-helicates of linear trinuclear nickel(II)-radical complexes with triple pyrazolate bridges.
• Authors of publication: Yamada, Susumu; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 13
• Pages of publication: 1622 - 1626
• a: 20.827 ± 0.002 Å
• b: 20.827 ± 0.002 Å
• c: 20.827 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9034 ± 1.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2531
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No