Information card for entry 7020560

Structure parameters

• Formula: C43 H38 Co N4 O8
• Calculated formula: C43 H38 Co N4 O8
• SMILES: C1c2ccc3C4(c5ccccc5c5ccccc45)c4ccc5C=[N]6c7ccccc7OCCOCCOCCOCCOc7ccccc7[N]=1[Co]6([OH2])([OH2])(n23)n45.O
• Title of publication: Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles.
• Authors of publication: Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 45
• Pages of publication: 13815 - 13831
• a: 13.8243 ± 0.0009 Å
• b: 24.612 ± 0.003 Å
• c: 15.1874 ± 0.001 Å
• α: 90°
• β: 100.065 ± 0.006°
• γ: 90°
• Cell volume: 5087.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1944
• Residual factor for significantly intense reflections: 0.1286
• Weighted residual factors for significantly intense reflections: 0.3741
• Weighted residual factors for all reflections included in the refinement: 0.393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No