Information card for entry 4319902

Structure parameters

• Common name: [Co(TPP)(BzNH2)2]SbF6
• Chemical name: bis(benzylamine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III) hexafluoroantimonate(V)
• Formula: C58 H46 Co F6 N6 Sb
• Calculated formula: C58 H46 Co F6 N6 Sb
• SMILES: [Co]123([n]4c5=C(c6ccccc6)c6n3c(cc6)C(=c3[n]1c(cc3)C(=c1n2c(=C(c2ccccc2)c4cc5)cc1)c1ccccc1)c1ccccc1)([NH2]Cc1ccccc1)[NH2]Cc1ccccc1.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Structural, Computational, and 59Co NMR Studies of Primary and Secondary Amine Complexes of Co(III) Porphyrins
• Authors of publication: Orde Q. Munro; Sibongiseni C. Shabalala; Nicola J. Brown
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3303 - 3317
• a: 17.0323 ± 0.0008 Å
• b: 12.2935 ± 0.0006 Å
• c: 23.4079 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4901.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No