Information card for entry 2200217

Structure parameters

• Formula: C18 H9 Co N9 O6
• Calculated formula: C18 H9 Co N9 O6
• SMILES: [Co]123([n]4cccc5c6nc(c(nc6c6ccc[n]1c6c45)C#N)C#N)([N]#CC)(ON(=[O]2)=O)ON(=[O]3)=O
• Title of publication: A novel heptacoordinated cobalt(II) complex of 6,7-dicyanodipyridoquinoxaline (dcdpq): [Co(NO~3~)~2~(CH~3~CN)(dcdpq)]
• Authors of publication: Liu, He; Du, Miao; Ge, Xiao-Jing; Bu, Xian-He; Yang, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: m100 - m102
• a: 8.3141 ± 0.0008 Å
• b: 14.6625 ± 0.0013 Å
• c: 9.067 ± 0.0009 Å
• α: 90°
• β: 115.154 ± 0.002°
• γ: 90°
• Cell volume: 1000.5 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes