Information card for entry 7039781

Structure parameters

• Formula: C52 H49 Br2 F8 N4 O2 P Ru2
• Calculated formula: C52 H48 Br2 F8 N4 O2 P Ru2
• SMILES: c12ccccc1ccc1[n]2[Ru]23456(N(C1=O)c1ccc(F)cc1)(Br)[c]1(C)[cH]2[cH]3[c]4([cH]5[cH]61)C(C)C.[P](F)(F)(F)(F)(F)[F-].c12ccccc1ccc1[n]2[Ru]23456(N(C1=O)c1ccc(F)cc1)(Br)[c]1(C)[cH]2[cH]3[c]4([cH]5[cH]61)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: 9.4885 ± 0.0004 Å
• b: 9.828 ± 0.0003 Å
• c: 14.7862 ± 0.0006 Å
• α: 72.595 ± 0.003°
• β: 83.935 ± 0.004°
• γ: 73.979 ± 0.003°
• Cell volume: 1264.22 ± 0.09 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148.15 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: 0.0514
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No