Information card for entry 7251297

Structure parameters

• Formula: C36 H46.25 N4 Ni2 O16.12
• Calculated formula: C36 H46.25 N4 Ni2 O16.125
• 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: 9.9528 ± 0.0019 Å
• b: 19.424 ± 0.004 Å
• c: 23.595 ± 0.004 Å
• α: 90°
• β: 99.347 ± 0.006°
• γ: 90°
• Cell volume: 4500.9 ± 1.5 ų
• Cell temperature: 360 ± 2 K
• Ambient diffraction temperature: 360 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No