Information card for entry 1569869

Structure parameters

• Formula: C2 H2 Mo N O3
• Calculated formula: C2 H2 Mo N O3
• Title of publication: Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.
• Authors of publication: Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 39
• Pages of publication: 10756 - 10767
• a: 5.2479 ± 0.0007 Å
• b: 5.2479 ± 0.0007 Å
• c: 14.143 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 389.5 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0185
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No