Information card for entry 7127859

Structure parameters

• Formula: C50 H77 Cl4 F12 Fe2 Ir O4 P6
• Calculated formula: C50 H77 Cl4 F12 Fe2 Ir O4 P6
• Title of publication: From a P₄ butterfly scaffold to <i>cyclo</i>- and <i>catena</i>-P₄ units.
• Authors of publication: Müller, Julian; Balázs, Gábor; Scheer, Manfred
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 18
• Pages of publication: 2257 - 2260
• a: 12.9537 ± 0.0002 Å
• b: 14.8742 ± 0.0002 Å
• c: 18.4134 ± 0.0002 Å
• α: 73.489 ± 0.001°
• β: 72.346 ± 0.001°
• γ: 80.07 ± 0.001°
• Cell volume: 3226.85 ± 0.08 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No