Information card for entry 1547764

Structure parameters

• Formula: C52 H58 F6 Ir N8 O4 P
• Calculated formula: C52 H58 F6 Ir N8 O4 P
• Title of publication: Mitochondria-targeted spin-labelled luminescent iridium anticancer complexes
• Authors of publication: Venkatesh, V.; Berrocal-Martin, Raul; Wedge, Christopher J.; Romero-Canelón, Isolda; Sanchez-Cano, Carlos; Song, Ji-Inn; Coverdale, James P. C.; Zhang, Pingyu; Clarkson, Guy J.; Habtemariam, Abraha; Magennis, Steven W.; Deeth, Robert J.; Sadler, Peter J.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 21.7439 ± 0.0008 Å
• b: 20.2524 ± 0.0004 Å
• c: 11.8321 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5210.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No