Information card for entry 1549015

Structure parameters

• Formula: C25 H28 F12 N3 O0.5 P2 Rh
• Calculated formula: C25 H28 F12 N3 O0.5 P2 Rh
• Title of publication: New activation mechanism for half-sandwich organometallic anticancer complexes.
• Authors of publication: Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 3177 - 3185
• a: 9.84864 ± 0.00019 Å
• b: 10.1712 ± 0.0003 Å
• c: 16.1627 ± 0.0003 Å
• α: 101.363 ± 0.002°
• β: 90.9323 ± 0.0017°
• γ: 109.801 ± 0.002°
• Cell volume: 1487.41 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No