Information card for entry 7050160

Structure parameters

• Formula: C26 H20 Mn N10 O4 S2
• Calculated formula: C26 H20 Mn N10 O4 S2
• SMILES: [Mn]([n]1ccc(cc1)c1nnc(o1)c1ccncc1)([n]1ccc(cc1)c1nnc(o1)c1ccncc1)(N=C=S)(N=C=S)([OH2])[OH2]
• Title of publication: Synthesis and crystal structures of a series of complexes based on a rigid angular ligand and the magnetic properties of the Cu(ii) polymer
• Authors of publication: Hou, Hongwei; Xie, Lixia; Li, Gang; Ge, Tiezhu; Fan, Yaoting; Zhu, Yu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 191
• a: 7.9571 ± 0.0016 Å
• b: 8.674 ± 0.0017 Å
• c: 11.326 ± 0.002 Å
• α: 94.31 ± 0.03°
• β: 110.17 ± 0.03°
• γ: 94.66 ± 0.03°
• Cell volume: 726.9 ± 0.3 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: 0.069
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No