Information card for entry 2017616

Structure parameters

• Chemical name: Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ- croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]
• Formula: C15 H12 Mn N2 O7
• Calculated formula: C15 H12 Mn N2 O7
• SMILES: [Mn]12([OH2])([n]3ccccc3c3[n]2cccc3)[O]=C2C(O1)=C1C(C2=O)=[O][Mn]23(O1)([OH2])([O]=C1C(O3)=C([O-])C(=O)C1=O)[n]1ccccc1c1[n]2cccc1.O.O
• Title of publication: Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]: a one-dimensional coordination polymer connected by hydrophilic‒hydrophilic and lipophilic‒lipophilic interactions at 135K
• Authors of publication: Chen, Hong-Feng; Fang, Qi; Chen, Hong-Yu; Yu, Wen-Tao; Weng, Lin-Hong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m97 - m100
• a: 11.3363 ± 0.0002 Å
• b: 9.3622 ± 0.0001 Å
• c: 14.4053 ± 0.0002 Å
• α: 90°
• β: 104.846 ± 0.0006°
• γ: 90°
• Cell volume: 1477.84 ± 0.04 ų
• Cell temperature: 135 ± 1 K
• Ambient diffraction temperature: 135 ± 1 K
• Number of distinct elements: 5
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes