Information card for entry 7032051

Structure parameters

• Formula: C80 H73 Cl F12 Ir N8 O2 P2 Ru
• Calculated formula: C80 H73 Cl F12 Ir N8 O2 P2 Ru
• SMILES: [Ir]123([n]4c5c(ccc4)c4nc6c7[n]([Ru]89%10%11%12(Cl)([n]%13c(c6nc4c4c5[n]1ccc4)cccc%13)[cH]1[cH]8[c]9([cH]%11[cH]%12[c]%101C(C)C)C)cccc7)([n]1ccccc1c1c3cccc1)[n]1c(c3c2cccc3)cccc1.c1(ccccc1)C.c1cc(ccc1)C.c1(ccccc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(OC)CO
• Title of publication: Dinuclear [{(p-cym)RuCl}2(μ-phpy)](PF6)2 and heterodinuclear [(ppy)2Ir(μ-phpy)Ru(p-cym)Cl](PF6)2 complexes: synthesis, structure and anticancer activity.
• Authors of publication: Tripathy, Suman Kumar; De, Umasankar; Dehury, Niranjan; Pal, Satyanarayan; Kim, Hyung Sik; Patra, Srikanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14546 - 14549
• a: 19.0145 ± 0.0011 Å
• b: 16.8284 ± 0.001 Å
• c: 25.3054 ± 0.0015 Å
• α: 90°
• β: 104.402 ± 0.002°
• γ: 90°
• Cell volume: 7842.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2206
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No