Information card for entry 7025684

Structure parameters

• Formula: C73 H83 Cl6 N8 O4.5 Pd2
• Calculated formula: C73 H83 Cl6 N8 O4.5 Pd2
• Title of publication: Self-assembly of a palladium complex formed from two U-shaped calixsalen molecules.
• Authors of publication: Borisova, Nataliya E.; Askerov, Rizvan K. O.; Maharramov, Abel M.; Khrustalev, Victor N.; Reshetova, Marina D.; Ustunyuk, Yuri A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5768 - 5771
• a: 12.321 ± 0.002 Å
• b: 16.946 ± 0.003 Å
• c: 20.595 ± 0.004 Å
• α: 90°
• β: 106.824 ± 0.005°
• γ: 90°
• Cell volume: 4116 ± 1.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.225
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No