Information card for entry 4066100

Structure parameters

• Formula: C22 H21 N Pt S
• Calculated formula: C22 H21 N Pt S
• SMILES: [Pt]1(c2cccc3ccc4ccc[n]1c4c23)([S](C)C)c1ccc(cc1)C
• Title of publication: Assembly of Symmetrical or Unsymmetrical Cyclometalated Organoplatinum Complexes through a Bridging Diphosphine Ligand†
• Authors of publication: Nabavizadeh, S. Masoud; Haghighi, Mohsen Golbon; Esmaeilbeig, Ahmad R.; Raoof, Fatemeh; Mandegani, Zeinab; Jamali, Sirous; Rashidi, Mehdi; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4893
• a: 8.7046 ± 0.0017 Å
• b: 10.154 ± 0.002 Å
• c: 11.044 ± 0.002 Å
• α: 69.73 ± 0.03°
• β: 80.06 ± 0.03°
• γ: 88.4 ± 0.03°
• Cell volume: 901.4 ± 0.4 ų
• Cell temperature: 423 ± 2 K
• Ambient diffraction temperature: 423 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No