Information card for entry 2226766

Structure parameters

• Chemical name: <i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)magnesium(II)
• Formula: C26 H16 Mg N6 S2
• Calculated formula: C26 H16 Mg N6 S2
• SMILES: C(=S)=N[Mg]12(N=C=S)([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3
• Title of publication: <i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)magnesium(II)
• Authors of publication: Zhao, Dan; Li, Fei-Fei; Sha, Jiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m988
• a: 13.2159 ± 0.0003 Å
• b: 10.1426 ± 0.0002 Å
• c: 17.4783 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2342.85 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes