Information card for entry 4509493

Structure parameters

• Formula: C14 H18 N4 O4.1 Zn
• Calculated formula: C14 H18 N4 O4.1 Zn
• Title of publication: Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU
• Authors of publication: Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3488
• a: 10.745 ± 0.0004 Å
• b: 12.0948 ± 0.0004 Å
• c: 12.7678 ± 0.0004 Å
• α: 90°
• β: 102.533 ± 0.001°
• γ: 90°
• Cell volume: 1619.75 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No