Information card for entry 4303600

Structure parameters

• Common name: [LPd2Ba(OAc)](OAc)_0.5CHCL3_H2O
• Formula: C42.5 H46.5 Ba Cl1.5 N4 O18 Pd2
• Calculated formula: C42.5 H44.5 Ba Cl1.5 N4 O18 Pd2
• Title of publication: Multiple Folding Structures Mediated by Metal Coordination of Acyclic Multidentate Ligand
• Authors of publication: Shigehisa Akine; Yoko Morita; Fumihiko Utsuno; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10670 - 10678
• a: 16.0295 ± 0.0008 Å
• b: 16.341 ± 0.0008 Å
• c: 21.5732 ± 0.0014 Å
• α: 90°
• β: 114.409 ± 0.001°
• γ: 90°
• Cell volume: 5145.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No