Information card for entry 7239173

Structure parameters

• Formula: C48 H30 Cl F6 N2 O3 Re
• Calculated formula: C48 H30 Cl F6 N2 O3 Re
• Title of publication: Rhenium(i) phenanthrolines bearing electron withdrawing CF3 substituents: synthesis, characterization and biological evaluation
• Authors of publication: Redshaw, Carl; Watkins, Scott; Humphrey, Simon M.; Bulman Page, Philip C.; Ashby, Shane; Chao, Yimin; Herbert, Christopher J.; Mueller, Anja
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 46
• Pages of publication: 23963
• a: 13.0575 ± 0.0001 Å
• b: 13.1701 ± 0.0002 Å
• c: 13.9178 ± 0.0002 Å
• α: 75.4887 ± 0.0006°
• β: 70.9784 ± 0.0006°
• γ: 81.8128 ± 0.0007°
• Cell volume: 2185.72 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No