Information card for entry 4337016

Structure parameters

• Formula: C64 H108 N4 Pd4 Zn8
• Calculated formula: C64 H108 N4 Pd4 Zn8
• SMILES: [Pd]123456([Zn]789%10([c]%11([c]9([c]7([c]%10([c]8%11C)C)C)C)C)[Pd]789%101([Zn]2([Pd]12%119([Zn]9%12%13%14([Pd]5%11([Zn]31C)([Zn]47C)([Zn]82C)([Zn]12346[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C#[N]C(C)(C)C)[c]1([c]9([c]%12(C)[c]%13([c]%141C)C)C)C)([Zn]1234%10[c]5([c]1([c]4([c]3([c]25C)C)C)C)C)C#[N]C(C)(C)C)C)C#[N]C(C)(C)C)C#[N]C(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: 14.0884 ± 0.0006 Å
• b: 15.1433 ± 0.0005 Å
• c: 20.6624 ± 0.0007 Å
• α: 104.309 ± 0.003°
• β: 94.496 ± 0.003°
• γ: 93.163 ± 0.003°
• Cell volume: 4245.6 ± 0.3 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: 0.102
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No