Information card for entry 7718482

Structure parameters

• Formula: C60 H58 Br2 Cl4 Co4 N18 Ru
• Calculated formula: C60 H57.9996 Br2.0004 Cl4 Co4 N18 Ru
• Title of publication: Synthesis, electronic and photophysical investigations of ruthenium(II)-centred heterometallic Kuratowski complexes which feature redox-active metal centres.
• Authors of publication: Rehfuß, Wiebke G; Kalytta-Mewes, Andreas; Kraft, Maryana; Nguyen, Binh Minh; Brütting, Wolfgang; Volkmer, Dirk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 6910 - 6921
• a: 23.5457 ± 0.0004 Å
• b: 23.5457 ± 0.0004 Å
• c: 23.5457 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13053.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No