Information card for entry 2240505

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquabis(4-formylbenzoato)-κ^2^<i>O</i>^1^,<i>O</i>^1'^;κ<i>O</i>^1^-zinc]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']
• Formula: C20 H16 N2 O7 Zn
• Calculated formula: C20 H16 N2 O7 Zn
• Title of publication: Crystal structure of <i>catena</i>-poly[[aquabis(4-formylbenzoato)-κ^2^<i>O</i>^1^,<i>O</i>^1'^;κ<i>O</i>^1^-zinc]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Aşkın, Gülçin Şefiye; Çelik, Fatih; Dilek, Nefise; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 402 - 405
• a: 22.4721 ± 0.0007 Å
• b: 7.1729 ± 0.0002 Å
• c: 23.6377 ± 0.0008 Å
• α: 90°
• β: 91.764 ± 0.002°
• γ: 90°
• Cell volume: 3808.4 ± 0.2 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: 0.0513
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes