Information card for entry 4339667

Structure parameters

• Chemical name: hexa(bis(1,10-phenanthrolinyl)Manganese(II))tri(octacyano Tungsten(IV)) cluster
• Formula: C168 H140.5 Mn6 N48 O22.25 W3
• Calculated formula: C168 H96 Mn6 N48 O22.25 W3
• 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: 33.759 ± 0.007 Å
• b: 41.862 ± 0.008 Å
• c: 28.543 ± 0.006 Å
• α: 90°
• β: 125.59 ± 0.03°
• γ: 90°
• Cell volume: 32803 ± 17 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.1123
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No