Information card for entry 1515959

Structure parameters

• Formula: C42 H42 Co2 N11 O14.5
• Calculated formula: C42 H42 Co2 N11 O14.5
• SMILES: [Co]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)OO[Co]12([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[OH]3.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.OCC.OCC
• Title of publication: Cryophotolysis of a caged oxygen compound for use in low temperature biological studies.
• Authors of publication: Howard-Jones, Annaleise R; Adam, Virgile; Cowley, Andrew; Baldwin, Jack E.; Bourgeois, Dominique
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2009
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 1150 - 1156
• a: 11.9774 ± 0.0002 Å
• b: 13.4851 ± 0.0003 Å
• c: 14.5529 ± 0.0003 Å
• α: 81.9962 ± 0.0008°
• β: 71.1326 ± 0.0008°
• γ: 88.4819 ± 0.0011°
• Cell volume: 2202.14 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No