Information card for entry 7034198

Structure parameters

• Formula: C78 H96 Cl4 N8 O8 P4 Pd4
• Calculated formula: C78 H96 Cl4 N8 O8 P4 Pd4
• Title of publication: Cyclic tetramers of a five-membered palladacycle based on a head-to-tail-linked isocyanate dimer and their reactivity in cyclotrimerization of isocyanates.
• Authors of publication: Lee, Seon Gye; Choi, Keun-Young; Kim, Yong-Joo; Park, SuJin; Lee, Soon W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6537 - 6545
• a: 15.1307 ± 0.0006 Å
• b: 15.1307 ± 0.0006 Å
• c: 19.1938 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4394.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No