Information card for entry 7102257

Structure parameters

• Formula: C48 H68 F4 N2 P4 Pd2 Zn
• Calculated formula: C48 H68 F4 N2 P4 Pd2 Zn
• SMILES: N12[Pd]([P](c3c1ccc(c3)F)(C(C)C)C(C)C)([P](c1c2ccc(c1)F)(C(C)C)C(C)C)[Zn][Pd]12N(c3c(cc(F)cc3)[P]1(C(C)C)C(C)C)c1c(cc(F)cc1)[P]2(C(C)C)C(C)C
• Title of publication: Covalent palladium-zinc bonds and their reactivity.
• Authors of publication: Fafard, Claudia M; Chen, Chun-Hsing; Foxman, Bruce M; Ozerov, Oleg V
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 4465 - 4467
• a: 22.7195 ± 0.0017 Å
• b: 16.3813 ± 0.0009 Å
• c: 18.0772 ± 0.001 Å
• α: 90°
• β: 127.92 ± 0.006°
• γ: 90°
• Cell volume: 5307.4 ± 0.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1387
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No