Information card for entry 2226168

Structure parameters

• Chemical name: Bis(isocyanato-κ<i>N</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II)
• Formula: C26 H16 Co N6 O2
• Calculated formula: C26 H16 Co N6 O2
• SMILES: c1ccc2c3[n]1[Co]1([n]4cccc(cc2)c34)(N=C=O)([n]2cccc3ccc4ccc[n]1c4c23)N=C=O
• Title of publication: Bis(isocyanato-κ<i>N</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)
• Authors of publication: Zhang, Dao-Peng; Tian, Nai-Chang; Zhang, Xiao-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m614
• a: 13.2317 ± 0.0008 Å
• b: 9.7095 ± 0.0006 Å
• c: 16.7265 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2148.9 ± 0.2 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: 0.0524
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes