Information card for entry 7008587

Structure parameters

• Formula: C74 H82 Au2 B2 Cl4 F8 N4 O2 P2 Pd2
• Calculated formula: C74 H82 Au2 B2 Cl4 F8 N4 O2 P2 Pd2
• SMILES: [B](F)(F)(F)[F-].c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Au][O]1[Pd]2([n]3c(c4[n]2ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)[O]([Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)[Pd]21[n]1c(c3[n]2ccc(c3)C(C)(C)C)cc(cc1)C(C)(C)C.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl
• 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: 13.5307 ± 0.0005 Å
• b: 15.3927 ± 0.0006 Å
• c: 18.8517 ± 0.0007 Å
• α: 90°
• β: 96.022 ± 0.001°
• γ: 90°
• Cell volume: 3904.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No