Information card for entry 1516902

Structure parameters

• Formula: C22 H48 Cl2 N8 Ni2 O11
• Calculated formula: C22 H48 Cl2 N8 Ni2 O11
• Title of publication: Stabilization of 2D water sheets in a supramolecular metal-organic Schiff base complex: Reversible structural transformation upon dehydration-rehydration
• Authors of publication: Rajat Saha; Susobhan Biswas; Ian M. Steele; Kamalendu Dey; Atish Dipankar Jana; Sanjay Kumar
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 200 - 207
• a: 9.566 ± 0.002 Å
• b: 11.359 ± 0.003 Å
• c: 29.676 ± 0.007 Å
• α: 90°
• β: 91.219 ± 0.006°
• γ: 90°
• Cell volume: 3223.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No