Information card for entry 4337014

Structure parameters

• Formula: C68 H80 Ga4 N4 Pd4
• Calculated formula: C68 H80 Ga4 N4 Pd4
• SMILES: [Pd]1234([Pd]567([Pd]89([Pd]1([Ga]1%10%11%12258[c]2([c]1([c]%12([c]%11([c]%102C)C)C)C)C)([Ga]1258369[c]3([c]2([c]1([c]8([c]53C)C)C)C)C)([Ga]12354[c]4([c]1([c]5([c]3([c]24C)C)C)C)C)C#[N]c1ccccc1)([Ga]12347[c]5([c]3([c]4([c]2([c]15C)C)C)C)C)C#[N]c1ccccc1)C#[N]c1ccccc1)C#[N]c1ccccc1
• 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: 14.5154 ± 0.0004 Å
• b: 14.7168 ± 0.0004 Å
• c: 17.0035 ± 0.0003 Å
• α: 76.2084 ± 0.0019°
• β: 78.334 ± 0.002°
• γ: 70.824 ± 0.002°
• Cell volume: 3301.3 ± 0.15 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No