Information card for entry 1549017

Structure parameters

• Formula: C34 H35 Cl F6 N2 O P Rh
• Calculated formula: C34 H35 Cl F6 N2 O P Rh
• SMILES: Cl[Rh]12345([n]6ccccc6c6cccc[n]16)[c]1([c]2([c]3([c]4([c]51C)C)C)C)c1ccc(c2ccccc2)cc1.CC(=O)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 8.40215 ± 0.00019 Å
• b: 12.9603 ± 0.0003 Å
• c: 15.392 ± 0.0004 Å
• α: 80 ± 0.002°
• β: 86.442 ± 0.002°
• γ: 86.175 ± 0.002°
• Cell volume: 1644.79 ± 0.07 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: 0.0354
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No