Information card for entry 7029074

Structure parameters

• Formula: C39 H72 Ga3 P3 Pd3
• Calculated formula: C39 H72 Ga3 P3 Pd3
• SMILES: [Pd]1234([P](C)(C)C)[Ga]5678([Pd]9%103([Pd]1([P](C)(C)C)([Ga]13%11%1229[c]2([c]1(C)[c]%11([c]%12([c]32C)C)C)C)[Ga]12394%10[c]4([c]1([c]2([c]9([c]34C)C)C)C)C)[P](C)(C)C)[c]1([c]6([c]7([c]8([c]51C)C)C)C)C
• Title of publication: Organogallium- and organozinc-rich palladium and platinum clusters.
• Authors of publication: Molon, Mariusz; Gemel, Christian; Fischer, Roland A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3114 - 3120
• a: 23.3586 ± 0.0003 Å
• b: 17.718 ± 0.0002 Å
• c: 23.6868 ± 0.0003 Å
• α: 90°
• β: 101.709 ± 0.002°
• γ: 90°
• Cell volume: 9599.2 ± 0.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No