Information card for entry 4509287

Structure parameters

• Formula: C55 H38 Co N9
• Calculated formula: C55 H38 Co N9
• SMILES: n12[Co]34([n]5c(=C(c6ccc(cc6)C#N)c2ccc1)ccc5)([n]1c(=C(c2cccn42)c2ccc(cc2)C#N)ccc1)[n]1c(ccc1)=C(c1cccn31)c1ccc(C#N)cc1.Cc1ccccc1
• 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: 18.9386 ± 0.0006 Å
• b: 20.1206 ± 0.0007 Å
• c: 23.2877 ± 0.0008 Å
• α: 90°
• β: 98.112 ± 0.001°
• γ: 90°
• Cell volume: 8785.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1249
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No