Information card for entry 7120965

Structure parameters

• Common name: Ni-CAU-29
• Formula: C45.5 H24 N4 Ni2 O14 P4
• Calculated formula: C45.5 H24 N4 Ni2 O14 P4
• Title of publication: Crystalline and permanently porous porphyrin-based metal tetraphosphonates.
• Authors of publication: Rhauderwiek, Timo; Wolkersdörfer, Konrad; Øien-Ødegaard, Sigurd; Lillerud, Karl-Petter; Wark, Michael; Stock, Norbert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 389 - 392
• a: 9.561 ± 0.005 Å
• b: 15.086 ± 0.009 Å
• c: 16.722 ± 0.009 Å
• α: 94.723 ± 0.009°
• β: 97.602 ± 0.009°
• γ: 97.88 ± 0.009°
• Cell volume: 2356 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1615
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2346
• Weighted residual factors for all reflections included in the refinement: 0.2839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.76 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No