Information card for entry 4301530

Structure parameters

• Formula: C88 H82 Mo2 N8 O7 P4 Pd2
• Calculated formula: C88 H82 Mo2 N8 O7 P4 Pd2
• SMILES: c12cccc3[n]1[Mo]145[Mo]6([n]7c(cccc7[P](c7ccccc7)(c7ccccc7)[Pd]7([CH](=[CH]7C#N)C#N)[P](c7cccc([n]67)O5)(c5ccccc5)c5ccccc5)O4)(O2)Oc2cccc([n]12)[P](c1ccccc1)(c1ccccc1)[Pd]1([CH](=[CH]1C#N)C#N)[P]3(c1ccccc1)c1ccccc1.O(CC)CC.O1CCCC1.O1CCCC1
• Title of publication: Oxidative Reactions of Tetrametal Pd(0)...Mo(II)-Mo(II)...Pd(0) Clusters: Electrochemical Communication of Two Pd(0) Centers through the Mo2 Moiety and Oxidative Formation of a Pd(I)-Mo(II)-Mo(II)-Pd(I) Array
• Authors of publication: Kazushi Mashima; Asuka Shima; Keisuke Nakao; Atsushi Fukumoto; Yutaka Kaneda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1879 - 1886
• a: 18.53 ± 0.02 Å
• b: 20.23 ± 0.05 Å
• c: 12.242 ± 0.014 Å
• α: 96.42 ± 0.14°
• β: 108.6 ± 0.11°
• γ: 102 ± 0.16°
• Cell volume: 4175 ± 13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2712
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No