Information card for entry 4075958

Structure parameters

• Formula: C40 H83 N P2 Ru Si2
• Calculated formula: C40 H83 N P2 Ru Si2
• SMILES: [RuH4]1([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[Si](N[Si]1(C)C)(C)C
• Title of publication: Structure and Bonding in a Disilazane Ruthenium Complex. Catalytic Selective Deuteration of Disilazane
• Authors of publication: Ayed, Tahra; Barthelat, Jean-Claude; Tangour, Bahoueddine; Pradère, Caroline; Donnadieu, Bruno; Grellier, Mary; Sabo-Etienne, Sylviane
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3824
• a: 17.443 ± 0.003 Å
• b: 20.752 ± 0.004 Å
• c: 23.465 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8494 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No