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Information card for entry 1547764
Preview
Coordinates | 1547764.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H58 F6 Ir N8 O4 P |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/1547764.html
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structural data.