Information card for entry 7707843

Structure parameters

• Formula: C14 H16 Mn1.5 N O11
• Calculated formula: C14 H16 Mn1.5 N O11
• Title of publication: Single-crystal-to-single-crystal transformations among three Mn-MOFs containing different water molecules induced by reaction time: crystal structures and proton conductivities.
• Authors of publication: Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 32
• Pages of publication: 11077 - 11090
• a: 7.4443 ± 0.0005 Å
• b: 9.2427 ± 0.0006 Å
• c: 12.6409 ± 0.0007 Å
• α: 99.62 ± 0.005°
• β: 91.66 ± 0.005°
• γ: 106.133 ± 0.006°
• Cell volume: 821.15 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1467
• 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