Information card for entry 7005179

Structure parameters

• Formula: C65 H83.5 N10.5 Ni4 O18.25
• Calculated formula: C65 H83.5 N10.5 Ni4 O18.25
• 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: 15.3067 ± 0.0018 Å
• b: 16.4584 ± 0.0019 Å
• c: 18.009 ± 0.002 Å
• α: 111.511 ± 0.002°
• β: 93.653 ± 0.002°
• γ: 112.056 ± 0.002°
• Cell volume: 3803.8 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1595
• 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