Information card for entry 2210365

Structure parameters

• Chemical name: Acetonitrilebis(nitrato-κ^2^O,O')(1,10-phenanthroline)cobalt(II)
• Formula: C14 H11 Co N5 O6
• Calculated formula: C14 H11 Co N5 O6
• SMILES: [Co]123(ON(=O)=[O]1)([O]=N(O2)=O)([n]1cccc2c1c1[n]3cccc1cc2)[N]#CC
• Title of publication: Acetonitrilebis(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline)cobalt(II)
• Authors of publication: Thébault, Frédéric; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2301 - m2302
• a: 7.1414 ± 0.0009 Å
• b: 14.3837 ± 0.0017 Å
• c: 15.467 ± 0.0019 Å
• α: 90°
• β: 92.906 ± 0.002°
• γ: 90°
• Cell volume: 1586.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0685
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes