Information card for entry 2217043

Structure parameters

• Chemical name: (Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')manganese(II)
• Formula: C29 H16 Mn N4 O5
• Calculated formula: C29 H16 Mn N4 O5
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Mn]124(OC3=C(O2)C(=O)C(=O)C3=O)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: (Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Authors of publication: Chen, Hong-Feng; Chen, Hong-Yu; Chen, Xia; Batsanov, Andrei S.; Fang, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m172 - m172
• a: 14.9185 ± 0.0006 Å
• b: 10.3749 ± 0.0004 Å
• c: 16.0859 ± 0.0006 Å
• α: 90°
• β: 109.885 ± 0.001°
• γ: 90°
• Cell volume: 2341.3 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes