Information card for entry 7033981

Structure parameters

• Formula: C62 H93 F12 N6 O7.5 P4 Ru
• Calculated formula: C60 H88 F12 N6 O7 P4 Ru
• Title of publication: Synthesis and characterization of an immobilizable photochemical molecular device for H2-generation.
• Authors of publication: Braumüller, Markus; Schulz, Martin; Sorsche, Dieter; Pfeffer, Michael; Schaub, Markus; Popp, Jürgen; Park, Byung-Wook; Hagfeldt, Anders; Dietzek, Benjamin; Rau, Sven
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5577 - 5586
• a: 46.4406 ± 0.0008 Å
• b: 12.6539 ± 0.0002 Å
• c: 30.2705 ± 0.0006 Å
• α: 90°
• β: 121.496 ± 0.003°
• γ: 90°
• Cell volume: 15167.9 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No