Information card for entry 8107537

Structure parameters

• Formula: C16 H13 N4 O6 Re
• Calculated formula: C15 H16 N5 O6 Re
• SMILES: c12cccc[n]2[Re](C#[O])(C#[O])(C#[O])([NH2]C1)[NH2]Cc1ccccn1.N(=O)(=O)[O-]
• Title of publication: The crystal structure of fac-tricarbonyl((pyridin-2-yl)methanamino-κ2 N,N′)-((pyridin-2-yl)methanamino-κN)rhenium(I) nitrate, C15H16O3N4Re
• Authors of publication: Ramoba, Lesetja V.; Alexander, Orbett T.; Malan, Frederick P.; Manicum, Amanda-Lee E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 709 - 711
• a: 7.4939 ± 0.0002 Å
• b: 10.1316 ± 0.0002 Å
• c: 13.8351 ± 0.0003 Å
• α: 103.453 ± 0.002°
• β: 101.992 ± 0.002°
• γ: 107.88 ± 0.002°
• Cell volume: 926.98 ± 0.04 ų
• Cell temperature: 150.04 ± 0.15 K
• Ambient diffraction temperature: 150.04 ± 0.15 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: 0.0373
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No