Information card for entry 7251296

Structure parameters

• Formula: C36 H53.5 N4 Ni2 O19.75
• Calculated formula: C36 H53.5 N4 Ni2 O19.75
• Title of publication: Guest water-induced reversible regulation of proton conduction in a two-dimensional nickel(II) coordination polymer
• Authors of publication: Sun, Ao-Na; Dong, Fu-Wan; Chen, Yi; Zhang, Si-Chen; Liu, Rui-Han; Zhu, Junlun; Shao, Dong
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 9.841 ± 0.009 Å
• b: 19.441 ± 0.015 Å
• c: 23.234 ± 0.017 Å
• α: 90°
• β: 98.01 ± 0.03°
• γ: 90°
• Cell volume: 4402 ± 6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No