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Information card for entry 7039780
Preview
Coordinates | 7039780.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H49 Br2 F8 N4 O2 P Ru2 |
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Calculated formula | C52 H48 Br2 F8 N4 O2 P Ru2 |
SMILES | c12ccccc1ccc1[n]2[Ru]23456(N(C1=O)c1ccccc1F)(Br)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[P](F)(F)(F)(F)(F)[F-].c12ccccc1CC=C1N2[Ru]23456(N(C1=O)c1ccccc1F)(Br)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C |
Title of publication | Cytotoxic hydrogen bridged ruthenium quinaldamide complexes showing induced cancer cell death by apoptosis. |
Authors of publication | Lord, Rianne M.; Allison, Simon J.; Rafferty, Karen; Ghandhi, Laura; Pask, Christopher M.; McGowan, Patrick C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 33 |
Pages of publication | 13196 - 13203 |
a | 31.309 ± 0.003 Å |
b | 10.0915 ± 0.0009 Å |
c | 18.4285 ± 0.0016 Å |
α | 90° |
β | 118.325 ± 0.004° |
γ | 90° |
Cell volume | 5125.4 ± 0.8 Å3 |
Cell temperature | 148 ± 2 K |
Ambient diffraction temperature | 148.15 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0525 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0638 |
Weighted residual factors for all reflections included in the refinement | 0.0694 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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