Information card for entry 7105258

Structure parameters

• Formula: C198 H201 F24 N15 O12 P4 Pd7
• Calculated formula: C192 H192 F23.992 N12 O12 P4 Pd7
• Title of publication: The first example of metallocene-like coordination mode of THBQ4−: A mixed-valence heptanucler palladium complex [Pd7(THBQ)2(tben)6](PF6)4
• Authors of publication: Asato, Eiji; Kyan, Ayano; Madanbashi, Tomokura; Tamura, Toshihide; Tadokoro, Makoto; Mizuno, Motohiro
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 1227
• a: 19.31 ± 0.0007 Å
• b: 19.31 ± 0.0007 Å
• c: 40.62 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13117 ± 1 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No