Information card for entry 7005180

Structure parameters

• Formula: C62.5 H85.5 N8 Ni5 O21.2
• Calculated formula: C62.5 H85.5 N8 Ni5 O21.2
• Title of publication: Asymmetric self-assembly with atmospheric CO2 fixation of a pentanuclear carbonate NiI) complex based on dissimilar building blocks.
• Authors of publication: Fondo, Matilde; García-Deibe, Ana M; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 414 - 416
• a: 12.093 ± 0.001 Å
• b: 26.699 ± 0.002 Å
• c: 22.907 ± 0.0019 Å
• α: 90°
• β: 104.105 ± 0.002°
• γ: 90°
• Cell volume: 7173 ± 1 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No