Information card for entry 7252076

Structure parameters

• Formula: C53 H58 Cl2 Mn3 N4 O10
• Calculated formula: C53 H58 Cl2 Mn3 N4 O10
• Title of publication: Coordination pyramid inversion, angular cluster core and homochiral single-stranded helix formation in polynuclear Mn(ii) assemblies supported by a bicompartmental salen-type ligand based on an o-xylylenediamine platform
• Authors of publication: Shutilov, Ilia D.; Volodin, Pavel A.; Frantsuzova, Lyubov V.; Gubaidullin, Aidar T.; Ovsyannikov, Alexander S.; Solovieva, Svetlana E.; Antipin, Igor S.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 3232 - 3240
• a: 10.216 ± 0.004 Å
• b: 11.925 ± 0.003 Å
• c: 21.876 ± 0.006 Å
• α: 104.612 ± 0.012°
• β: 95.67 ± 0.011°
• γ: 96.483 ± 0.008°
• Cell volume: 2539.8 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No