Information card for entry 4341972

Structure parameters

• Formula: C83.95 H89.9 Gd Mn3 N8.95 O17.48
• Calculated formula: C83.952 H89.904 Gd Mn3 N8.952 O17.476
• 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: 17.899 ± 0.0007 Å
• b: 16.8266 ± 0.0006 Å
• c: 27.7628 ± 0.001 Å
• α: 90°
• β: 108.026 ± 0.002°
• γ: 90°
• Cell volume: 7951.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No