Information card for entry 2219049

Structure parameters

• Chemical name: μ-2,3,5,6-Tetra-2-pyridylpyrazine- κ^3^N^1^,<i>N</i>^2^,<i>N</i>^6^:κ^3^<i>N</i>^3^,<i>N</i>^4^,<i>N</i>^5^- bis[(methanol-κO)(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κO)cadmium(II)]
• Formula: C26 H24 Cd2 N10 O14
• Calculated formula: C26 H24 Cd2 N10 O14
• SMILES: c12c3[n](cccc3)[Cd]34([n]5ccccc5c([n]13)c1c3cccc[n]3[Cd]35([n]6ccccc6c2[n]13)([OH]C)(ON(=[O]5)=O)ON(=O)=O)([OH]C)(ON(=[O]4)=O)ON(=O)=O
• Title of publication: μ-2,3,5,6-Tetra-2-pyridylpyrazine-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^6^:κ^3^<i>N</i>^3^,<i>N</i>^4^,<i>N</i>^5^-bis[(methanol-κ<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>)cadmium(II)]
• Authors of publication: Seyed Sadjadi, Mirabdullah; Ebadi, Amin; Zare, Karim; Amani, Vahid; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1050 - m1051
• a: 9.0777 ± 0.0012 Å
• b: 10.8949 ± 0.0009 Å
• c: 16.69 ± 0.002 Å
• α: 90°
• β: 93.847 ± 0.01°
• γ: 90°
• Cell volume: 1646.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes