Information card for entry 4323085

Structure parameters

• Formula: C54 H59 Co N4 Sn
• Calculated formula: C54 H59 Co N4 Sn
• SMILES: [Sn]([Co]123n4c5=Cc6[n]3c(=Cc3n2c(C=c2[n]1c(C=c4c(c5CC)CC)c(c2CC)CC)c(c3CC)CC)c(c6CC)CC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Metalloradical Chemistry of Cobalt(II) Porphyrins. The Syntheses, Structure, and Reactivity of Triphenyltin(II)- and Trihalomethylcobalt(III) Octaethylporphyrin
• Authors of publication: Yang Cao; Jeffrey L. Petersen; Alan M. Stolzenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5173 - 5179
• a: 12.124 ± 0.005 Å
• b: 14.7 ± 0.005 Å
• c: 15.221 ± 0.007 Å
• α: 109.56 ± 0.04°
• β: 91.44 ± 0.05°
• γ: 113.27 ± 0.01°
• Cell volume: 2309.1 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.0809
• Goodness-of-fit parameter for all reflections: 0.998
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No