Information card for entry 7131215

Structure parameters

• Formula: C57 H45 Mn3 N3 O15
• Calculated formula: C57 H45 Mn3 N3 O15
• Title of publication: A hexagon based Mn(II) rod metal-organic framework - structure, SF₆ gas sorption, magnetism and electrochemistry.
• Authors of publication: Amombo Noa, Francoise M.; Cheung, Ocean; Åhlén, Michelle; Ahlberg, Elisabet; Nehla, Priyanka; Salazar-Alvarez, Germán; Ershadrad, Soheil; Sanyal, Biplab; Öhrström, Lars
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 15
• Pages of publication: 2106 - 2109
• a: 11.5886 ± 0.0002 Å
• b: 27.8179 ± 0.0004 Å
• c: 16.6789 ± 0.0003 Å
• α: 90°
• β: 101.99 ± 0.002°
• γ: 90°
• Cell volume: 5259.48 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.1176
• Weighted residual factors for significantly intense reflections: 0.3164
• Weighted residual factors for all reflections included in the refinement: 0.3216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No