Information card for entry 7003346

Structure parameters

• Formula: C64 H92 B2 F8 N6 O4 Pd2
• Calculated formula: C64 H92 B2 F8 N6 O4 Pd2
• SMILES: [B](F)(F)(F)[F-].c12c3cc(cc[n]3[Pd]3([n]2ccc(c1)C(C)(C)C)[NH](c1ccccc1)[Pd]1([n]2c(c4cc(cc[n]14)C(C)(C)C)cc(cc2)C(C)(C)C)[NH]3c1ccccc1)C(C)(C)C.O1CCCC1.O1CCCC1.[B](F)(F)(F)[F-].O1CCCC1.O1CCCC1
• 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: 17.4761 ± 0.0008 Å
• b: 11.152 ± 0.0005 Å
• c: 18.0618 ± 0.0008 Å
• α: 90°
• β: 109.273 ± 0.001°
• γ: 90°
• Cell volume: 3322.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No