Information card for entry 7018473

Structure parameters

• Formula: C52 H118 Cl16 N6 Ni8 O14
• Calculated formula: C52 H118 Cl16 N6 Ni8 O14
• Title of publication: Synthesis, magnetic properties, and STM spectroscopy of an unprecedented octanuclear chloro-bridged nickel(ii) double cubane.
• Authors of publication: Scheurer, Andreas; Gieb, Klaus; Alam, Mohammad S.; Heinemann, Frank W.; Saalfrank, Rolf W.; Kroener, Wolfgang; Petukhov, Konstantin; Stocker, Michael; Müller, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 12
• Pages of publication: 3553 - 3561
• a: 18.2919 ± 0.0014 Å
• b: 19.8972 ± 0.0005 Å
• c: 23.2951 ± 0.0011 Å
• α: 90°
• β: 98.408 ± 0.006°
• γ: 90°
• Cell volume: 8387.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No