Information card for entry 2213132

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)cobalt(II)
• Formula: C26 H16 Co N6 S2
• Calculated formula: C26 H16 Co N6 S2
• SMILES: c1cc[n]2[Co]3(N=C=S)([n]4cccc5ccc1c2c45)([n]1cccc2ccc4ccc[n]3c4c12)N=C=S
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Gang-Qiang Yin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1542 - m1543
• a: 13.153 ± 0.003 Å
• b: 10.078 ± 0.002 Å
• c: 17.489 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2318.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes