Information card for entry 4516601

Structure parameters

• Formula: C9 H6 O7 Sr
• Calculated formula: C9 H6 O7 Sr
• SMILES: C(=O)(c1c(C(=O)[O-])cc(cc1)C(=O)O)[O-].O.[Sr+2]
• Title of publication: Semiconductor Behavior of a Three-Dimensional Strontium-Based Metal-Organic Framework.
• Authors of publication: Usman, Muhammad; Mendiratta, Shruti; Batjargal, Sainbileg; Haider, Golam; Hayashi, Michitoshi; Rao Gade, Narsinga; Chen, Jenq-Wei; Chen, Yang-Fang; Lu, Kuang-Lieh
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 41
• Pages of publication: 22767 - 22774
• a: 6.8546 ± 0.0006 Å
• b: 7.0142 ± 0.0006 Å
• c: 10.762 ± 0.0008 Å
• α: 87.65 ± 0.005°
• β: 82.614 ± 0.005°
• γ: 72.056 ± 0.005°
• Cell volume: 488.18 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No