Information card for entry 8104657

Structure parameters

• Formula: C15 H13 Br0.5 N2 O3.75 Re
• Calculated formula: C15 H13 Br0.5 N2 O3.75 Re
• Title of publication: The crystal structure of [μ-hydroxido-bis[(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)-tricarbonylrhenium(I)] bromide hemihydrate, C30H26N4O9Re2Br
• Authors of publication: Moherane, Lehlohonolo; Alexander, Orbett T.; Visser, Hendrik G.; Manicum, Amanda-Lee E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1027 - 1029
• a: 9.4069 ± 0.0006 Å
• b: 11.7695 ± 0.0008 Å
• c: 15.0549 ± 0.0011 Å
• α: 82.7 ± 0.002°
• β: 76.682 ± 0.002°
• γ: 77.364 ± 0.002°
• Cell volume: 1577.52 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No