Information card for entry 7112387

Structure parameters

• Common name: Ca2(azbz-TC)(DMF)(H2O)
• Formula: C19 H15 Ca2 N3 O10
• Calculated formula: C19 H7 Ca2 N3 O10
• Title of publication: A rare example of a porous Ca-MOF for the controlled release of biologically active NO.
• Authors of publication: Miller, Stuart R.; Alvarez, Elsa; Fradcourt, Lucie; Devic, Thomas; Wuttke, Stefan; Wheatley, Paul S.; Steunou, Nathalie; Bonhomme, Christian; Gervais, Christel; Laurencin, Danielle; Morris, Russell E.; Vimont, Alexandre; Daturi, Marco; Horcajada, Patricia; Serre, Christian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 71
• Pages of publication: 7773 - 7775
• a: 10.1119 ± 0.0005 Å
• b: 11.0499 ± 0.0008 Å
• c: 12.7808 ± 0.0008 Å
• α: 101.472 ± 0.006°
• β: 102.024 ± 0.004°
• γ: 108.351 ± 0.005°
• Cell volume: 1270.77 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.709622 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No