Information card for entry 7023170

Structure parameters

• Formula: C6 H11 N2 O7 Re
• Calculated formula: C6 H11 N2 O7 Re
• SMILES: [Re]12([NH2]CC(C(=O)O1)[NH2]2)(C#[O])(C#[O])C#[O].O.O
• Title of publication: Tricarbonyltechnetium(I) and tricarbonylrhenium(I) complexes of amino acids: crystal and molecular structure of a novel cyclic dimeric Re(CO)3-amino acid complex comprised of the OON donor atom set of the tridentate ligand.
• Authors of publication: Nayak, Dipak Kumar; Halder, Kamal Krishna; Baishya, Rinku; Sen, Tuhinadri; Mitra, Partha; Debnath, Mita Chatterjee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13565 - 13575
• a: 6.5523 ± 0.0004 Å
• b: 13.362 ± 0.0009 Å
• c: 12.2912 ± 0.0008 Å
• α: 90°
• β: 95.595 ± 0.002°
• γ: 90°
• Cell volume: 1070.99 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No