Information card for entry 1549014

Structure parameters

• Formula: C36 H35 Cl F6 N2 O P Rh
• Calculated formula: C36 H35 Cl F6 N2 O P Rh
• SMILES: [Rh]12345(Cl)([n]6cccc7c6c6[n]1cccc6cc7)[c]1([c]2([c]3([c]4([c]51C)C)C)C)c1ccc(c2ccccc2)cc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• 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: 8.7508 ± 0.0004 Å
• b: 14.4955 ± 0.0006 Å
• c: 14.5101 ± 0.0006 Å
• α: 84.91 ± 0.003°
• β: 74.415 ± 0.004°
• γ: 82.382 ± 0.003°
• Cell volume: 1754.53 ± 0.14 ų
• Cell temperature: 568 ± 2 K
• Ambient diffraction temperature: 568 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No