Information card for entry 4319904

Structure parameters

• Common name: [Co(TPP)(1-MePipz)2]SbF6
• Chemical name: bis(1-methylpiperazine)(5,10,15,20-mesotetraphenylporphinato)cobalt(III) hexafluoroantimonate(V)
• Formula: C54 H52 Co F6 N8 O Sb
• Calculated formula: C54 H52 Co F6 N8 O Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Co]123(n4c5=C(c6[n]3c(=C(c3n2c(cc3)C(=c2[n]1c(cc2)C(=c4cc5)c1ccccc1)c1ccccc1)c1ccccc1)cc6)c1ccccc1)([NH]1CCN(CC1)C)[NH]1CCN(CC1)C.O
• 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: 13.4112 ± 0.0009 Å
• b: 19.0611 ± 0.0012 Å
• c: 19.663 ± 0.0013 Å
• α: 90°
• β: 93.245 ± 0.001°
• γ: 90°
• Cell volume: 5018.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1547
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.2759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No