Information card for entry 4341973

Structure parameters

• Formula: C66 H59 Dy F3 Mn3 N7 O20 S
• Calculated formula: C66 H51 Dy F3 Mn3 N7 O20 S
• Title of publication: Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium.
• Authors of publication: Lin, Po-Heng; Takase, Michael K.; Agapie, Theodor
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 59 - 64
• a: 14.36 ± 0.003 Å
• b: 14.69 ± 0.003 Å
• c: 17.01 ± 0.003 Å
• α: 106.08 ± 0.03°
• β: 101.08 ± 0.03°
• γ: 94.65 ± 0.03°
• Cell volume: 3349.1 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7293 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No