Information card for entry 4310940

Structure parameters

• Formula: C56 H50 Mn3 N14 O10 W
• Calculated formula: C56 H50 Mn3 N14 O10 W
• SMILES: [W](C#[N][Mn]123(Oc4ccccc4C=[N]1CC[N]2=Cc1ccccc1O3)[OH2])(C#[N][Mn]123(Oc4ccccc4C=[N]1CC[N]2=Cc1ccccc1O3)[OH2])(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Mn]123(Oc4ccccc4C=[N]1CC[N]2=Cc1ccccc1O3)[OH2].O
• Title of publication: Crystal Structures and Magnetic Properties of Two Low-Dimensional Materials Constructed from [MnIII(salen)H2O]+ and [M(CN)8]3-/4- (M = Mo or W) Precursors
• Authors of publication: Paweł Przychodzeń; Krzysztof Lewiński; Maria Bałanda; Robert Pełka; Michał Rams; Tadeusz Wasiutyński; Carine Guyard-Duhayon; Barbara Sieklucka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2967 - 2974
• a: 13.721 ± 0.0002 Å
• b: 20.684 ± 0.0004 Å
• c: 20.637 ± 0.0002 Å
• α: 90°
• β: 102.129 ± 0.001°
• γ: 90°
• Cell volume: 5726.14 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No