Information card for entry 7719920

Structure parameters

• Common name: MnBP-1_4.5eq
• Chemical name: MnBP-1_prepared_with_4.5eq_LiOH
• Formula: C2 H Mn0.667 O3 P
• Calculated formula: C2 H Mn0.666667 O3 P
• Title of publication: Isomorphous metal 1,3,5-benzenetriphosphonates MBP-1 with variable compositions: preparation, crystal structure, and electrochemical properties.
• Authors of publication: Iio, Kosuke; Ishii, Syunya; Yamaguchi, Junya; Yamaguchi, Mayu; Yamashita, Haruka; Irie, Akira; Hatasawa, Haruna; Morita, Masashi; Kondo, Atsushi; Kitamura, Naoto; Saito, Morihiro; Maeda, Kazuyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• a: 8.9818 ± 0.0003 Å
• b: 8.9818 ± 0.0003 Å
• c: 7.695 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 537.61 ± 0.03 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.00988
• RFsqd: 0.01001
• Residual factor R(I) for significantly intense reflections: 0.01962
• Goodness-of-fit parameter for all reflections: 3.6036
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.80044 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No