Information card for entry 7003347

Structure parameters

• Formula: C54 H72 B2 Cl8 F8 N6 Pd2
• Calculated formula: C54 H72 B2 Cl8 F8 N6 Pd2
• SMILES: [B](F)(F)(F)[F-].c12c3[n]([Pd]4([n]2ccc(c1)C(C)(C)C)[NH](c1ccc(cc1)C)[Pd]1([n]2c(c5cc(cc[n]15)C(C)(C)C)cc(cc2)C(C)(C)C)[NH]4c1ccc(cc1)C)ccc(c3)C(C)(C)C.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Diimine supported group 10 hydroxo, oxo, amido, and imido complexes
• Authors of publication: Singh, Anupam; Anandhi, U.; Cinellu, Maria Agostina; Sharp, Paul R.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 2314 - 2327
• a: 11.627 ± 0.004 Å
• b: 24.551 ± 0.008 Å
• c: 11.49 ± 0.004 Å
• α: 90°
• β: 77.461 ± 0.005°
• γ: 90°
• Cell volume: 3201.6 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No