Information card for entry 4509289

Structure parameters

• Formula: C48 H30 Co N9
• Calculated formula: C48 H30 Co N9
• SMILES: [Co]123([n]4cccc4=C(c4n1ccc4)c1ccc(cc1)C#N)([n]1cccc1=C(c1n3ccc1)c1ccc(cc1)C#N)[n]1c(=C(c3n2ccc3)c2ccc(cc2)C#N)ccc1
• Title of publication: Metallotectons: Comparison of Molecular Networks Built from Racemic and Enantiomerically Pure Tris(dipyrrinato)cobalt(III) Complexes
• Authors of publication: Telfer, Shane G.; Wuest, James D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1923
• a: 16.8939 ± 0.0008 Å
• b: 31.7723 ± 0.0015 Å
• c: 8.2865 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4447.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No