Information card for entry 4328636

Structure parameters

• Chemical name: aqua(N-benzyl-aspartate)cobalt(II)
• Formula: C11 H13 Co N O5
• Calculated formula: C11 H11 Co N O5
• Title of publication: [M(rac-N-benzyl Asp)(H2O)] (M = Co, Ni): Noncentrosymmetric Coordination Polymeric Chains with Racemic Chiral Ligands
• Authors of publication: Junghwan Do; Yumi Lee; Jaeun Kang; Yong Sun Park; Bernd Lorenz; Allan J. Jacobson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3533 - 3539
• a: 5.9522 ± 0.0008 Å
• b: 13.3808 ± 0.0017 Å
• c: 7.9745 ± 0.001 Å
• α: 90°
• β: 110.252 ± 0.002°
• γ: 90°
• Cell volume: 595.87 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No