Information card for entry 1508169

Structure parameters

• Formula: C62 H58 B2 F8 N2 O4 Pd4
• Calculated formula: C62 H58 B2 F8 N2 O4 Pd4
• SMILES: [Pd]123456[Pd]789%10%11[CH]([CH]3=[CH]2C1c1ccccc1)=[CH]7C8c1ccccc1[C@H]1[CH]2[Pd]378%12%13[Pd]%14%15%16%17([CH]7([CH]=23)[CH]%14=[CH]%15c2ccccc2)C([CH]%16=[CH]%17[CH]8=[CH]%12C%13c2ccccc2[C@H]1[CH]9=[CH]%10[CH]4%11[CH]5=[CH]6c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=N(=O)C.O=N(=O)C
• Title of publication: Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.
• Authors of publication: Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 52 - 58
• a: 7.8918 ± 0.0004 Å
• b: 24.8188 ± 0.0013 Å
• c: 29.1008 ± 0.0016 Å
• α: 90°
• β: 93.2773 ± 0.0014°
• γ: 90°
• Cell volume: 5690.5 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No