Information card for entry 2016089

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[triaquazinc(II)]-μ-2-nitroterephthalato- κO^1^:κ^2^O^4^:O^4'^] monohydrate]
• Formula: C8 H11 N O10 Zn
• Calculated formula: C8 H11 N O10 Zn
• Title of publication: <i>catena</i>-Poly[[[triaquazinc(II)]-μ-2-nitroterephthalato-κ<i>O</i>^1^:κ^2^<i>O</i>^4^,<i>O</i>^4'^] monohydrate]
• Authors of publication: Guo, Ming-Lin; Guo, Chen-Hu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m352 - m354
• a: 7.8862 ± 0.0012 Å
• b: 20.501 ± 0.005 Å
• c: 7.7119 ± 0.0013 Å
• α: 90°
• β: 102.633 ± 0.016°
• γ: 90°
• Cell volume: 1216.6 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes