Information card for entry 7039903

Structure parameters

• Chemical name: Compound_L1
• Formula: C53 H36 F12 N10 O P2 Ru
• Calculated formula: C53 H36 F12 N10 O P2 Ru
• Title of publication: Self-assembly of highly luminescent heteronuclear coordination cages.
• Authors of publication: Schmidt, Andrea; Hollering, Manuela; Han, Jiaying; Casini, Angela; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 12297 - 12300
• a: 8.9134 ± 0.0008 Å
• b: 9.3811 ± 0.0007 Å
• c: 30.975 ± 0.003 Å
• α: 95.76 ± 0.004°
• β: 97.978 ± 0.005°
• γ: 96.792 ± 0.004°
• Cell volume: 2529 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No