Information card for entry 7106181

Structure parameters

• Formula: C35 H40 Co I N4 O6
• Calculated formula: C35 H40 Co I N4 O6
• SMILES: C1c2ccc3C(CC)(CC)c4ccc5C=[N]6c7ccccc7OCCOCCOCCOCCOc7ccccc7[N]=1[Co]6(I)(n23)(n45)[OH2]
• Title of publication: Hexagonal wheel formation through the hydrogen-bonded assembly of cobalt Pacman complexes
• Authors of publication: James W. Leeland; Fraser J. White; Jason B. Love
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4132
• a: 19.571 ± 0.003 Å
• b: 11.471 ± 0.003 Å
• c: 15.551 ± 0.002 Å
• α: 90°
• β: 96.408 ± 0.014°
• γ: 90°
• Cell volume: 3469.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1208
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No