Information card for entry 7015299

Structure parameters

• Formula: C32.44 H29 Cl3.5 Mn4 N4.5 Na O12.44
• Calculated formula: C32.442 H29 Cl3.5 Mn4 N4.5 Na O12.442
• Title of publication: Trigonal propeller-shaped [Mn(III)3M(II)Na] complexes (M = Mn, Ca): structural and functional models for the dioxygen evolving centre of PSII.
• Authors of publication: Nayak, Sanjit; Nayek, Hari Pada; Dehnen, Stefanie; Powell, Annie K.; Reedijk, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2699 - 2702
• a: 9.7691 ± 0.0005 Å
• b: 12.7467 ± 0.0005 Å
• c: 19.0201 ± 0.0008 Å
• α: 108.12 ± 0.003°
• β: 91.029 ± 0.004°
• γ: 101.741 ± 0.003°
• Cell volume: 2195.48 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No