Information card for entry 4076143

Structure parameters

• Formula: C92 H100 B2 Cl8 F8 Ir2 O4 P4 Zr2
• Calculated formula: C92 H96 B2 Cl8 F8 Ir2 O4 P4 Zr2
• Title of publication: Flexible Building Blocks for Transition Metal Early−Late Chemistry. Synthesis of Heterobimetallic Tetranuclear Metallomacrocycles
• Authors of publication: Álvarez-Vergara, M. Carmen; Casado, Miguel A.; Martín, M. Luisa; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5929
• a: 15.4325 ± 0.001 Å
• b: 15.4098 ± 0.001 Å
• c: 19.5915 ± 0.0013 Å
• α: 90°
• β: 97.853 ± 0.001°
• γ: 90°
• Cell volume: 4615.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No