Information card for entry 7063472

Structure parameters

• Formula: C54 H43 Fe Mn4 Ni2 O26 P2
• Calculated formula: C54 H43 Fe Mn4 Ni2 O26 P2
• Title of publication: Targeted design of heterotrimetallic 1-D coordination polymers based on functionalized metallocenes featuring antibacterial activity
• Authors of publication: Uvarova, Marina A.; Shmelev, Maxim A.; Bekker, Olga B.; Lutsenko, Irina A.; Nefedov, Sergey E.; Eremenko, Igor L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 17391 - 17395
• a: 11.261 ± 0.004 Å
• b: 12.185 ± 0.005 Å
• c: 12.516 ± 0.005 Å
• α: 68.836 ± 0.006°
• β: 78.965 ± 0.007°
• γ: 70.326 ± 0.006°
• Cell volume: 1503.3 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.1456
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No