Information card for entry 7701114

Structure parameters

• Formula: C38 H70 N4 Ni O31 P6
• Calculated formula: C38 H70 N4 Ni O31 P6
• Title of publication: Water-mediated proton conduction in Ni(ii) and Co(ii) benzenetriphosphonates
• Authors of publication: Feng, Lu; Pan, Zhi-Quan; Zhou, Hong; Zhou, Min; Hou, Hao-Bo
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 10.5385 ± 0.0005 Å
• b: 12.3978 ± 0.0006 Å
• c: 22.3593 ± 0.0012 Å
• α: 99.057 ± 0.002°
• β: 98.106 ± 0.002°
• γ: 101.379 ± 0.002°
• Cell volume: 2783.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No