Information card for entry 4322737

Structure parameters

• Formula: C27 H27.5 Cl F6 N2.5 O2 P2 Re
• Calculated formula: C27 H26 Cl F6 N2.5 O2 P2 Re
• Title of publication: Chelation Processes to an Oxorhenium(V) Center by N,N,N,O-Tetradentate and N,N,O-Tridentate Ligands As Verified by Structural and Mechanistic Studies of Intermediate Species
• Authors of publication: J. Mattheus Botha; Keisuke Umakoshi; Yoichi Sasaki; Gert J. Lamprecht
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1609 - 1615
• a: 19.758 ± 0.006 Å
• b: 9.463 ± 0.003 Å
• c: 16.297 ± 0.004 Å
• α: 90°
• β: 93.4 ± 0.02°
• γ: 90°
• Cell volume: 3041.7 ± 1.5 ų
• Cell temperature: 203 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for significantly intense reflections: 3.42
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No