Information card for entry 7704371

Structure parameters

• Formula: C60 H44 Mn3 N6 O16
• Calculated formula: C60 H40 Mn3 N6 O16
• Title of publication: H-Bonded and metal(ii)-organic architectures assembled from an unexplored aromatic tricarboxylic acid: structural variety and functional properties.
• Authors of publication: Gu, Jin-Zhong; Wan, Shi-Mao; Kirillova, Marina V.; Kirillov, Alexander M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 21
• Pages of publication: 7197 - 7209
• a: 9.4017 ± 0.0013 Å
• b: 10.8041 ± 0.0018 Å
• c: 14.535 ± 0.0016 Å
• α: 105.013 ± 0.012°
• β: 99.708 ± 0.011°
• γ: 107.961 ± 0.014°
• Cell volume: 1306 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No