Information card for entry 1570809

Structure parameters

• Chemical name: <i>trans</i>-Bis(4-amino-3-nitrobenzoato-κ<i>O</i>)bis(4-amino-3-nitrobenzoic acid-κ<i>O</i>)diaquamanganese(II) dihydrate
• Formula: C28 H30 Mn N8 O20
• Calculated formula: C28 H30 Mn N8 O20
• Title of publication: Synthesis and structure of trans-bis(4-amino-3-nitrobenzoato-κO)bis(4-amino-3-nitrobenzoic acid-κO)diaquamanganese(II) dihydrate
• Authors of publication: Narmanova, Feruza S.; Turaev, Khayit Kh.; Ibragimov, Aziz B.; Ashurov, Jamshid M.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 1
• a: 7.0419 ± 0.0001 Å
• b: 19.2513 ± 0.0003 Å
• c: 12.7175 ± 0.0002 Å
• α: 90°
• β: 100.513 ± 0.002°
• γ: 90°
• Cell volume: 1695.12 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No