Information card for entry 7033836

Structure parameters

• Chemical name: Ru-Thioani_aq
• Formula: C28 H38 F6 N5 O4 P Ru S
• Calculated formula: C28 H38 F6 N5 O4 P Ru S
• SMILES: [Ru]123456([n]7n(C(n8[n]1c(cc8C)C)c1c(SC)cccc1)c(cc7C)C)([cH]1[c]3(C)[cH]6[cH]5[c]2(C(C)C)[cH]41)[OH2].[P](F)(F)(F)(F)(F)[F-].N(=O)(=O)[O-]
• Title of publication: Synthesis, characterisation and antibacterial activity of [(p-cym)RuX(L)](+/2+) (X = Cl, H2O; L = bpmo, bpms) complexes.
• Authors of publication: Tripathy, Suman Kumar; Taviti, Ashoka Chary; Dehury, Niranjan; Sahoo, Anupam; Pal, Satyanaryan; Beuria, Tushar Kant; Patra, Srikanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 11
• Pages of publication: 5114 - 5124
• a: 10.3255 ± 0.0008 Å
• b: 10.5283 ± 0.0009 Å
• c: 15.194 ± 0.0012 Å
• α: 93.34 ± 0.002°
• β: 93.375 ± 0.002°
• γ: 95.141 ± 0.002°
• Cell volume: 1638.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0731
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No