Information card for entry 7054040

Structure parameters

• Formula: C96 H188 Cl4 Mn10 O44 P4
• Calculated formula: C96 H188 Cl4 Mn10 O44 P4
• Title of publication: Self-assembly and decay of Mn(ii) pivalate‒phosphonate complexes
• Authors of publication: Burkovskaya, Nataliya; Aleksandrov, Grigory; Ugolkova, Elena; Efimov, Nikolay; Evstifeev, Igor; Kiskin, Mikhail; Dobrokhotova, Zhanna; Minin, Vadim; Eremenko, Igor
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 4
• Pages of publication: 1587
• a: 22.4667 ± 0.001 Å
• b: 22.4667 ± 0.001 Å
• c: 14.6274 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7383.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No