Information card for entry 4508575

Structure parameters

• Formula: C22 H18 N4 O4 Zn
• Calculated formula: C22 H18 N4 O4 Zn
• Title of publication: A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study
• Authors of publication: Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 5442
• a: 10.2678 ± 0.0008 Å
• b: 13.0131 ± 0.001 Å
• c: 15.9584 ± 0.0011 Å
• α: 90°
• β: 110.229 ± 0.005°
• γ: 90°
• Cell volume: 2000.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No