Information card for entry 7039778

Structure parameters

• Formula: C52 H49 Cl2 F8 N4 O2 P Ru2
• Calculated formula: C52 H48 Cl2 F8 N4 O2 P Ru2
• SMILES: c12[n]([Ru]34567(N(C1=O)c1ccc(F)cc1)([c]1([cH]4[cH]3[c]7([cH]6[cH]51)C(C)C)C)Cl)c1ccccc1cc2.[P](F)(F)(F)(F)(F)[F-].c12ccccc1ccc1[n]2[Ru]23456(N(C1=O)c1ccc(F)cc1)([c]1(C)[cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)Cl
• 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: 9.416 ± 0.0019 Å
• b: 9.714 ± 0.0019 Å
• c: 14.631 ± 0.003 Å
• α: 73.68 ± 0.03°
• β: 85.08 ± 0.03°
• γ: 74.22 ± 0.03°
• Cell volume: 1235.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0463
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No