Information card for entry 7050449

Structure parameters

• Formula: C42 H48 Cu3 N8 O18
• Calculated formula: C42 H48 Cu3 N8 O18
• Title of publication: A novel layered and pillared topology in a 3D open framework: synthesis, crystal structure and magnetic propertiesElectronic supplementary information (ESI) available: Fig. S1: showing the brick-walled shaped view of the [{Cu3(malonate)2(H2O)2}]n layer; Fig. S2: space-filled diagram showing channels viewed down x-axis. See http://www.rsc.org/suppdata/nj/b2/b208650f/
• Authors of publication: Sain, Saugata; Kumar Maji, Tapas; Mostafa, Golam; Lu, Tian-Huey; Ray Chaudhuri, Nirmalendu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 185
• a: 13.389 ± 0.0014 Å
• b: 16.3111 ± 0.0016 Å
• c: 10.999 ± 0.0011 Å
• α: 90°
• β: 91.352 ± 0.002°
• γ: 90°
• Cell volume: 2401.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No