Information card for entry 4511359

Structure parameters

• Formula: C24 H24 N8 O16 Zr
• Calculated formula: C24 H24 N8 O16 Zr
• SMILES: C(=[NH2+])(c1ccc(cc1)C(=[NH2+])N)N.O1C(=O)C(=O)O[Zr]2341(OC(=O)C(=O)O3)(OC(=O)C(=O)O2)OC(=O)C(=O)O4.C(=[NH2+])(c1ccc(cc1)C(=[NH2+])N)N
• 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: 18.167 ± 0.003 Å
• b: 11.556 ± 0.003 Å
• c: 13.384 ± 0.003 Å
• α: 90°
• β: 91.3 ± 0.08°
• γ: 90°
• Cell volume: 2809.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No