Information card for entry 7025705

Structure parameters

• Formula: C23 H28 Cl2 N2 S2
• Calculated formula: C23 H28 Cl2 N2 S2
• SMILES: c1c(c2cccccc2c1C(=S)N1CCCCC1)C(=S)N1CCCCC1.C(Cl)Cl
• Title of publication: Palladium(II) and platinum(II) complexes bearing a kappa(3)SCS pincer ligand with an azulene unit.
• Authors of publication: Kuwabara, Junpei; Munezawa, Goro; Okamoto, Ken; Kanbara, Takaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 27
• Pages of publication: 6255 - 6261
• a: 16.1348 ± 0.0006 Å
• b: 16.0405 ± 0.0007 Å
• c: 8.8982 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2302.95 ± 0.15 ų
• Cell temperature: 88.1 K
• Ambient diffraction temperature: 88.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No