Information card for entry 7009838

Structure parameters

• Common name: [MnL]2[Mo(CN)8]6H2O
• Formula: C38 H54 Mn2 Mo N18 O6
• Calculated formula: C38 H42 Mn2 Mo N18 O6
• Title of publication: Structural and photomagnetic studies of a 1-D bimetallic chain [MnII2(L)2(H2O)][MoIV(CN)8]·5H2O (L = macrocycle): analogy with the photo-oxidation of K4[MoIV(CN)8]·2H2O
• Authors of publication: Rombaut, Guillaume; Golhen, Stéphane; Ouahab, Lahcène; Mathonière, Corine; Kahn, Olivier
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3609
• a: 13.2063 ± 0.0004 Å
• b: 17.5907 ± 0.0006 Å
• c: 20.7908 ± 0.0005 Å
• α: 90°
• β: 91.6972 ± 0.0018°
• γ: 90°
• Cell volume: 4827.8 ± 0.2 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: 0.0819
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No