Information card for entry 1504497

Structure parameters

• Formula: C76 H98 N20 O50 Pd2
• Calculated formula: C76 H98 N20 O50 Pd2
• Title of publication: Self-assembly of 1:2 inclusion complexes between a metallocycle host and dihydroxyaromatic guests: a redox controlled complexation process.
• Authors of publication: Blanco, Víctor; Chas, Marcos; Abella, Dolores; Pía, Elena; Platas-Iglesias, Carlos; Peinador, Carlos; Quintela, José M
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 409 - 412
• a: 32.6438 ± 0.0013 Å
• b: 10.0301 ± 0.0004 Å
• c: 29.2548 ± 0.0012 Å
• α: 90°
• β: 106.329 ± 0.001°
• γ: 90°
• Cell volume: 9192.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1211
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No