Information card for entry 7236635

Structure parameters

• Common name: Nickel 5-sulphoisophthalate
• Formula: C16 H19 Na Ni3 O21 S2
• Calculated formula: C16 H11 Na Ni3 O20.655 S2
• Title of publication: Physisorption-induced structural change directing carbon monoxide chemisorption and nitric oxide coordination on hemilabile porous metal organic framework NaNi3(OH)(SIP)2(H2O)5·H2O (SIP = 5-sulfoisophthalate)
• Authors of publication: Bell, Jon G.; Morris, Samuel A.; Aidoudi, Farida; McCormick, Laura J.; Morris, Russell E.; Thomas, K. Mark
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 45
• Pages of publication: 23577
• a: 9.859 ± 0.0011 Å
• b: 11.0355 ± 0.0013 Å
• c: 12.5671 ± 0.0014 Å
• α: 104.782 ± 0.002°
• β: 89.974 ± 0.002°
• γ: 109.954 ± 0.002°
• Cell volume: 1237 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No