Information card for entry 1100801

Structure parameters

• Formula: C34 H62 Cl2 F24 N12 O4 P8 Ru2
• Calculated formula: C34 H62 Cl2 F24 N12 O4 P8 Ru2
• Title of publication: Effect of pH on the Biphasic Catalytic Hydrogenation of Benzylidene Acetone Using CpRu(PTA)~2~H
• Authors of publication: Mebi, Charles A.; Frost, Brian J.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2339 - 2346
• a: 6.5764 ± 0.0009 Å
• b: 13.4764 ± 0.0019 Å
• c: 17.321 ± 0.002 Å
• α: 75.545 ± 0.002°
• β: 81.394 ± 0.002°
• γ: 82.551 ± 0.002°
• Cell volume: 1462.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1534
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No