Information card for entry 4509288

Structure parameters

• Formula: C50 H33 Co N10
• Calculated formula: C50 H33 Co N10
• SMILES: [Co]123([n]4cccc4=C(c4cccn14)c1ccc(cc1)C#N)([n]1cccc1=C(c1cccn21)c1ccc(cc1)C#N)[n]1cccc1=C(c1cccn31)c1ccc(cc1)C#N.C(#N)C
• 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: 33.1442 ± 0.0011 Å
• b: 9.9036 ± 0.0003 Å
• c: 28.9106 ± 0.001 Å
• α: 90°
• β: 120.359 ± 0.001°
• γ: 90°
• Cell volume: 8188.5 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No