Information card for entry 4511363

Structure parameters

• Formula: C28 H23 K N4 O22 Zr
• Calculated formula: C28 H23 K N4 O22 Zr
• Title of publication: Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures
• Authors of publication: Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1753
• a: 10.247 ± 0.002 Å
• b: 12.096 ± 0.002 Å
• c: 13.312 ± 0.002 Å
• α: 90°
• β: 90.92 ± 0.06°
• γ: 90°
• Cell volume: 1649.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No