Information card for entry 4502497

Structure parameters

• Formula: C26 H12 Mn N6 O4 S2
• Calculated formula: C26 H12 Mn N6 O4 S2
• SMILES: [Mn]12([n]3cccc4c3c3[n]1cccc3C(=O)C4=O)([n]1cccc3c1c1[n]2cccc1C(=O)C3=O)(N=C=S)N=C=S
• Title of publication: A Molecular Helix: Self-Assembly of Coordination Polymers from d10Metal Ions and 1,10-Phenanthroline-5,6-dione (pdon) with the Bridges of SCN−and Cl−Anions
• Authors of publication: Ma, Qi; Zhu, Miaoli; Yuan, Caixia; Feng, Sisi; Lu, Liping; Wang, Qingming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1706
• a: 11.1626 ± 0.0015 Å
• b: 8.0501 ± 0.0012 Å
• c: 15.18 ± 0.0018 Å
• α: 90°
• β: 107.706 ± 0.002°
• γ: 90°
• Cell volume: 1299.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No