Information card for entry 4318783

Structure parameters

• Formula: C89 H166 Mo6 N48 Ni9 O42
• Calculated formula: C89 H80 Mo6 N48 Ni9 O42
• Title of publication: High-Spin Molecules: Synthesis, X-ray Characterization, and Magnetic Behavior of Two New Cyano-Bridged NiII9MoV6 and NiII9WV6 Clusters with a S = 12 Ground State
• Authors of publication: Federica Bonadio; Mathias Gross; Helen Stoeckli-Evans; Silvio Decurtins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5891 - 5896
• a: 28.4957 ± 0.0018 Å
• b: 19.2583 ± 0.001 Å
• c: 32.4279 ± 0.0017 Å
• α: 90°
• β: 113.555 ± 0.006°
• γ: 90°
• Cell volume: 16312.9 ± 1.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No