Information card for entry 4102520

Structure parameters

• Formula: C15 H34 Cl N7 O7
• Calculated formula: C15 H34 Cl N7 O7
• SMILES: [NH+](CCN(C(C)C)N=O)(CCN(C(C)C)N=O)CCN(C(C)C)N=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Reduction of Copper(II) Complexes of Tripodal Ligands by Nitric Oxide and Trinitrosation of the Ligands
• Authors of publication: Moushumi Sarma; Apurba Kalita; Pankaj Kumar; Amardeep Singh; Biplab Mondal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7846 - 7847
• a: 11.6744 ± 0.0003 Å
• b: 18.4324 ± 0.0004 Å
• c: 10.8887 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2343.11 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No