Information card for entry 2230496

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetrakis(cyanido-κ<i>C</i>)tungstate(IV)]-di-μ-cyanido- κ^4^<i>C</i>:<i>N</i>-bis[diaqua(2,2'-bipyridyl- κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-cyanido-κ^4^<i>N</i>:<i>C</i>] hexahydrate]
• Formula: C28 H34 Mn2 N12 O10 W
• Calculated formula: C28 H34 Mn2 N12 O10 W
• SMILES: [W]1(C#N)(C#[N][Mn]2([OH2])([OH2])[n]3ccccc3c3[n]2cccc3)(C#[N][Mn]2([OH2])([OH2])[n]3ccccc3c3[n]2cccc3)(C#N)(C#N)(C#N)(C#N)C#[N][Mn]2([OH2])([OH2])([n]3ccccc3c3[n]2cccc3)[N]#C[W](C#[N][Mn]2([N]#C1)([OH2])([OH2])[n]1ccccc1c1[n]2cccc1)(C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[tetrakis(cyanido-κ<i>C</i>)tungstate(IV)]-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-bis[diaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-cyanido-κ^4^<i>N</i>:<i>C</i>] hexahydrate]
• Authors of publication: Ozaki, Noriaki; Yamada, Ryo; Nakabayashi, Koji; Ohkoshi, Shin-ichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m702 - m703
• a: 11.6673 ± 0.0003 Å
• b: 15.5511 ± 0.0004 Å
• c: 21.4339 ± 0.0007 Å
• α: 90°
• β: 99.213 ± 0.001°
• γ: 90°
• Cell volume: 3838.79 ± 0.19 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes