Information card for entry 4302598

Structure parameters

• Formula: C51 H74 Cl6 Co N5
• Calculated formula: C51 H74 Cl6 Co N5
• SMILES: [Co]123n4c5C6(c7n3c(C3(c8n2c(C2(c9n1c(C1(c4cc5)CCCCC1)cc9)CCCCC2)cc8)CCCCC3)cc7)CCCCC6.ClCCl.ClCCl.ClCCl.[N+](CC)(CC)(CC)CC
• Title of publication: Oxygen-Cobalt Chemistry Using a Porphyrinogen Platform
• Authors of publication: Dibyendu Bhattacharya; Suman Maji; Kuntal Pal; Sabyasachi Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6362 - 6370
• a: 13.562 ± 0.005 Å
• b: 18.321 ± 0.005 Å
• c: 20.33 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5051 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No