Information card for entry 8105421

Structure parameters

• Formula: C18 H12 N5 O6 Re
• Calculated formula: C18 H12 N5 O6 Re
• Title of publication: The crystal structure of fac-tricarbonyl(1,10-phenanthroline-κ2 N,N′)-(pyrazole-κN)rhenium(I)nitrate, C18H12O3N4Re
• Authors of publication: Ramoba, Lesetja V.; Alexander, Orbett T.; Visser, Hendrik G.; Manicum, Amanda-Lee E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1203 - 1205
• a: 8.3476 ± 0.0015 Å
• b: 9.5742 ± 0.0017 Å
• c: 12.435 ± 0.002 Å
• α: 87.606 ± 0.005°
• β: 74.502 ± 0.005°
• γ: 88.028 ± 0.005°
• Cell volume: 956.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0235
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No