Information card for entry 2227763

Structure parameters

• Chemical name: [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)butane-1,4-diamine]bis[dinitratocadmium(II)]
• Formula: C28 H32 Cd2 N10 O12
• Calculated formula: C28 H32 Cd2 N10 O12
• SMILES: C1c2cccc[n]2[Cd]234([N]1(CCCC[N]15Cc6cccc[n]6[Cd]675([n]5c(C1)cccc5)(ON(=[O]6)=O)[O]=N(=O)O7)Cc1cccc[n]31)(ON(=[O]2)=O)[O]=N(=O)O4
• Title of publication: [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)butane-1,4-diamine]bis[dinitratocadmium(II)]
• Authors of publication: Bartholomä, Mark; Cheung, Hoi; Zubieta, Jon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1197
• a: 8.0548 ± 0.0008 Å
• b: 8.701 ± 0.0008 Å
• c: 13.2566 ± 0.0013 Å
• α: 107.488 ± 0.002°
• β: 96.767 ± 0.002°
• γ: 104.631 ± 0.002°
• Cell volume: 838.3 ± 0.14 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes