Information card for entry 4073938

Structure parameters

• Formula: C62 H72 Au2 P2 S2 Zr
• Calculated formula: C62 H72 Au2 P2 S2 Zr
• SMILES: [Au]([S]([Au]1[P](c2ccccc2)(c2ccccc2)c2ccccc2)[Zr]23456789(S1)([c]1([cH]2[c]4([cH]5[cH]61)C(C)(C)C)C(C)(C)C)[c]1([cH]7[c]8([cH]9[cH]31)C(C)(C)C)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The Anions [Cptt2Zr(μ-S)2M(CO)2]-(M = Rh, Ir) as Versatile Precursors for the Synthesis of Sulfido-Bridged Early−Late Heterotrimetallic (ELHT) Compounds†
• Authors of publication: Hernandez-Gruel, Marc A. F.; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6437
• a: 10.344 ± 0.0007 Å
• b: 38.998 ± 0.003 Å
• c: 13.9883 ± 0.0009 Å
• α: 90°
• β: 96.252 ± 0.001°
• γ: 90°
• Cell volume: 5609.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No