Information card for entry 4129527

Structure parameters

• Formula: C30 H21 Co N4 O
• Calculated formula: C30 H21 Co N4 O
• SMILES: [Co]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[C]1(=[C]7([C]6(=[C]5(c2ccncc2)[C]81=O)c1ccncc1)c1ccncc1)c1ccncc1
• Title of publication: Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.
• Authors of publication: Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 40
• Pages of publication: 13018 - 13023
• a: 17.65 ± 0.002 Å
• b: 12.8527 ± 0.0013 Å
• c: 19.949 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4525.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No