Information card for entry 1560359

Structure parameters

• Formula: C18 H17 Cl2 Mn N3 O6
• Calculated formula: C18 H17 Cl2 Mn N3 O6
• Title of publication: A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+
• Authors of publication: Ming, Mei; Bai, Na
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 254
• Pages of publication: 9 - 13
• a: 14.4985 ± 0.0005 Å
• b: 12.2421 ± 0.0004 Å
• c: 23.766 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4218.3 ± 0.2 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No