Information card for entry 4320858

Structure parameters

• Chemical name: μ-Carbonyl-bis-μ-[bis(diphenylphosphino)amine]-bis(carbonyl nickel)
• Formula: C51 H42 N2 Ni2 O3 P4
• Calculated formula: C51 H42 N2 Ni2 O3 P4
• SMILES: [Ni]123([Ni]([P](N[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](N[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C3=O)C#[O])C#[O]
• Title of publication: Synthesis, Spectroscopic Characterization, and Crystal Structure of the Bimetallic Complex [Ni2(μ-CO)(CO)2(μ-NH(PPh2)2)2]
• Authors of publication: Eugenio Simón-Manso; Mauricio Valderrama; Verónica Arancibia; Yamil Simón-Manso; Daphne Boys
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1650 - 1654
• a: 13.009 ± 0.001 Å
• b: 13.063 ± 0.002 Å
• c: 14.664 ± 0.002 Å
• α: 79.91 ± 0.01°
• β: 79.96 ± 0.01°
• γ: 71.32 ± 0.01°
• Cell volume: 2305.4 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No