Information card for entry 4337017

Structure parameters

• Formula: C72 H92 N4 Pd4 Zn8
• Calculated formula: C72 H92 N4 Pd4 Zn8
• SMILES: C[c]12[Zn]3456([Pd]789%10%11(C#[N]c%12ccccc%12)[Zn]%12(C)[Pd]%13%14%157(C#[N]c7ccccc7)([Pd]7%16%17(C#[N]c%18ccccc%18)([Pd]68%12(C#[N]c6ccccc6)([Zn]68%12%187[c]7([c]6([c]8([c]%12([c]%187C)C)C)C)C)([Zn]%14%16C)[Zn]%11%17C)([Zn]678%11%13[c]%12([c]6([c]7([c]8([c]%11%12C)C)C)C)C)[Zn]%10%15C)[Zn]678%109[c]9([c]6([c]7([c]8([c]%109C)C)C)C)C)[c]1([c]3([c]4([c]25C)C)C)C
• Title of publication: Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions
• Authors of publication: Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14275 - 14283
• a: 15.8533 ± 0.0004 Å
• b: 15.8533 ± 0.0004 Å
• c: 14.9665 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3761.5 ± 0.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No