Information card for entry 4088280

Structure parameters

• Formula: C48 H72 Cl2 Ni2 O P4 Si2
• Calculated formula: C48 H72 Cl2 Ni2 O P4 Si2
• SMILES: [Ni]12([P](c3c([Si]2(O[Si]24[Ni]([P](C(C)C)(c5c4cccc5)C(C)C)([P](c4c2cccc4)(C(C)C)C(C)C)Cl)c2ccccc2[P]1(C(C)C)C(C)C)cccc3)(C(C)C)C(C)C)Cl
• Title of publication: A Ni0(η2-(Si‒H))(η2-H2) Complex That Mediates Facile H Atom Exchange between Two σ-Ligands
• Authors of publication: Connor, Bridget A.; Rittle, Jonathan; VanderVelde, David; Peters, Jonas C.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 686
• a: 12.5767 ± 0.0003 Å
• b: 23.3624 ± 0.0006 Å
• c: 17.9385 ± 0.0005 Å
• α: 90°
• β: 104.617 ± 0.001°
• γ: 90°
• Cell volume: 5100.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No