Information card for entry 4339666

Structure parameters

• Chemical name: tetra(bis(2,2'-bipyridyl)Manganese(II))di(octacyano Niobium(IV)) cluster
• Formula: C96 H87.25 Mn4 N32 Nb2 O11.62
• Calculated formula: C96 H64 Mn4 N32 Nb2 O11.625
• Title of publication: Synthesis, crystal structure, and magnetic properties of hexanuclear [{MnL2}4{Nb(CN)8}2] and Nonanuclear [{MnL2}6{Nb(CN)8}3] heterometallic clusters (L=bpy, phen).
• Authors of publication: Venkatakrishnan, Thengarai S.; Rajamani, Raghunathan; Ramasesha, S.; Sutter, Jean-Pascal
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9569 - 9574
• a: 23.923 ± 0.005 Å
• b: 19.69 ± 0.005 Å
• c: 47.387 ± 0.005 Å
• α: 90°
• β: 97.776 ± 0.005°
• γ: 90°
• Cell volume: 22116 ± 8 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2909
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No