Information card for entry 7012128

Structure parameters

• Formula: C54 H114 N6 Ni5 O23 S2
• Calculated formula: C54 H97 N6 Ni5 O23 S2
• Title of publication: The assembly of pentanuclear nickel(ii) complexes from asymmetric compartmental ligands and bearing ??3-OH bridgesElectronic supplementary information (ESI) available: the molecular structure and crystallographic details for compound 3. See http://www.rsc.org/suppdata/dt/b2/b207631b/
• Authors of publication: Adams, Harry; Clunas, Scott; Fenton, David E.; Towers, David N.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 3933
• a: 11.5662 ± 0.0017 Å
• b: 11.7496 ± 0.0017 Å
• c: 27.03 ± 0.004 Å
• α: 86.069 ± 0.003°
• β: 85.732 ± 0.003°
• γ: 83.58 ± 0.003°
• Cell volume: 3633.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No