Information card for entry 7041688

Structure parameters

• Formula: C45 H38 Fe N2 O P2 Pt
• Calculated formula: C45 H38 Fe N2 O P2 Pt
• SMILES: [Pt]1([P]([c]23[Fe]456789%10([cH]%11[cH]9[cH]7[c]5([P]1(c1ccccc1)c1ccccc1)[cH]4%11)[cH]2[cH]8[cH]6[cH]3%10)(c1ccccc1)c1ccccc1)(c1c(n(=O)ccc1)c1ncccc1)C
• Title of publication: Cyclometalated platinum(ii) complexes of 2,2'-bipyridine N-oxide containing a 1,1'-bis(diphenylphosphino)ferrocene ligand: structural, computational and electrochemical studies.
• Authors of publication: Shahsavari, Hamid R.; Fereidoonnezhad, Masood; Niazi, Maryam; Mosavi, S. Talaat; Habib Kazemi, Sayed; Kia, Reza; Shirkhan, Shima; Abdollahi Aghdam, Siamak; Raithby, Paul R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 2013 - 2022
• a: 10.497 ± 0.0001 Å
• b: 11.748 ± 0.0001 Å
• c: 30.043 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3704.87 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No