Information card for entry 2239290

Structure parameters

• Chemical name: Poly[[tetra-μ-cyanido-κ^8^<i>C</i>:<i>N</i>-dodeca-cyanido-κ^12^<i>C</i>-tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(methanol-κ<i>O</i>)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')trimanganese(II)ditungstate(V)] dihydrate]
• Formula: C76 H85 Mn3 N25 O8 W2
• Calculated formula: C76 H85 Mn3 N25 O8 W2
• Title of publication: Poly[[tetra-μ-cyanido-κ^8^<i>C</i>:<i>N</i>-dodeca-cyanido-κ^12^<i>C</i>-tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(methanol-κ<i>O</i>)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')trimanganese(II)ditungstate(V)] dihydrate]
• Authors of publication: Yang, Fei-Lin; Yang, Dan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m170 - m171
• a: 15.5038 ± 0.0017 Å
• b: 16.4958 ± 0.0018 Å
• c: 21.4067 ± 0.0013 Å
• α: 70.008 ± 0.002°
• β: 82.663 ± 0.003°
• γ: 66.129 ± 0.002°
• Cell volume: 4704.4 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes