Information card for entry 1549018

Structure parameters

• Formula: C28 H29 Cl F6 N2 O P Rh
• Calculated formula: C28 H29 Cl F6 N2 O P 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: 8.20707 ± 0.00008 Å
• b: 10.08952 ± 0.00012 Å
• c: 17.2032 ± 0.0003 Å
• α: 82.3397 ± 0.0011°
• β: 81.4575 ± 0.0011°
• γ: 84.0175 ± 0.0009°
• Cell volume: 1390.95 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No