Information card for entry 7008819

Structure parameters

• Common name: Cadmium (ii) (pyrazine)3/2 nitrate monohydrate
• Chemical name: Cadmium (II) (pyrazine)3/2 nitrate monohydrate
• Formula: C6 H8 Cd N5 O7
• Calculated formula: C6 H8 Cd N5 O7
• Title of publication: Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.
• Authors of publication: Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 24
• Pages of publication: 3852 - 3861
• a: 7.617 ± 0.0006 Å
• b: 18.5674 ± 0.0015 Å
• c: 8.7007 ± 0.0007 Å
• α: 90°
• β: 99.006 ± 0.001°
• γ: 90°
• Cell volume: 1215.35 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No