Information card for entry 7111274

Structure parameters

• Formula: C44 H54 P2 Ru2
• Calculated formula: C44 H54 P2 Ru2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]162345[P]2(C=C(C(=C2c2ccccc2)C)C)[Ru]23456([P]61C=C(C(=C6c1ccccc1)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C)C)C)C
• Title of publication: Synthesis of 2-silyl substituted phospharuthenocenes and an elaboration into the first phospharuthenocene-phosphine
• Authors of publication: Carmichael, Duncan; Mathey, François; Ricard, Louis; Seeboth, Nicolas
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2976 - 2977
• a: 11.087 ± 0.005 Å
• b: 14.757 ± 0.005 Å
• c: 12.041 ± 0.005 Å
• α: 90°
• β: 96.34 ± 0.005°
• γ: 90°
• Cell volume: 1958 ± 1.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No