Information card for entry 7052274

Structure parameters

• Formula: C14 H17 Cl N3 O7 Re
• Calculated formula: C14 H17 Cl N3 O7 Re
• SMILES: [Re]1([NH2]c2ccccc2[NH2]1)(C#[O])(C#[O])(C#[O])C#[N]C(C)(C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Non-covalent interactions between anions and a cationic rhenium diamine complex: structural characterization of the supramolecular adducts
• Authors of publication: Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 838
• a: 10.16 ± 0.007 Å
• b: 12.354 ± 0.009 Å
• c: 15.993 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2007 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No