Information card for entry 4335112

Structure parameters

• Formula: C33 H32 Br2 Cl2 N4 Pt2 S2
• Calculated formula: C33 H32 Br2 Cl2 N4 Pt2 S2
• SMILES: [Pt]12([S]([Pt]3([S]1CCN1C=3N(c3ccccc13)Cc1ccccc1)Br)CCN1C=2N(c2ccccc12)Cc1ccccc1)Br.ClCCl
• Title of publication: A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand
• Authors of publication: Dan Yuan; Han Vinh Huynh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6627 - 6634
• a: 18.1205 ± 0.0009 Å
• b: 49.575 ± 0.003 Å
• c: 15.1791 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13635.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No