Information card for entry 7008588

Structure parameters

• Formula: C121 H131 Au B3 F12 N8 O3 P Pd4
• Calculated formula: C121 H131 Au B3 F12 N8 O3 P Pd4
• SMILES: [Pd]12([n]3ccc(cc3c3[n]1ccc(c3)C(C)(C)C)C(C)(C)C)[O]([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]1([n]3ccc(cc3c3[n]1ccc(c3)C(C)(C)C)C(C)(C)C)[O]1[Pd]3([n]4ccc(cc4c4[n]3ccc(c4)C(C)(C)C)C(C)(C)C)[O]2[Pd]21[n]1ccc(cc1c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1(ccc(C)cc1)C.c1(ccc(cc1)C)C.c1(ccc(cc1)C)C.c1(ccc(cc1)C)C
• Title of publication: Palladium-gold oxo complexes.
• Authors of publication: Singh, Anupam; Sharp, Paul R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2080 - 2081
• a: 18.385 ± 0.003 Å
• b: 17.993 ± 0.003 Å
• c: 21.862 ± 0.004 Å
• α: 90°
• β: 109.413 ± 0.003°
• γ: 90°
• Cell volume: 6821 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No