Information card for entry 4340433

Structure parameters

• Formula: C45 H62 Cl2 N4 Ni4 O12
• Calculated formula: C45 H62 Cl2 N4 Ni4 O12
• Title of publication: Synthesis and spectroscopic characterization of a new family of Ni(4) spin clusters.
• Authors of publication: Sieber, Andreas; Boskovic, Colette; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Chaboussant, Grégory; Güdel, Hans U; Kirchner, Nadeschda; van Slageren, Joris; Wernsdorfer, Wolfgang; Neels, Antonia; Stoeckli-Evans, Helen; Janssen, Stefan; Juranyi, Fanni; Mutka, Hannu
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4315 - 4325
• a: 14.5644 ± 0.0012 Å
• b: 14.5954 ± 0.0011 Å
• c: 24.772 ± 0.002 Å
• α: 86.9 ± 0.01°
• β: 86.347 ± 0.01°
• γ: 70.041 ± 0.009°
• Cell volume: 4936.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0544
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No