Information card for entry 4349451

Structure parameters

• Common name: {Na}{(PNP)Ni(CO)}
• Formula: C62 H96 N2 Na2 Ni2 O4 P4
• Calculated formula: C62 H96 N2 Na2 Ni2 O4 P4
• SMILES: [Ni]123[P](c4cc(ccc4[N]3(c3c([P]1(C(C)C)C(C)C)cc(cc3)C)[Na][N]13[Ni]([P](c4cc(ccc14)C)(C(C)C)C(C)C)([P](c1cc(ccc31)C)(C(C)C)C(C)C)C#[O][Na]([O]#C2)([O]1CCCC1)[O]1CCCC1)C)(C(C)C)C(C)C
• Title of publication: Formation of a tetranickel octacarbonyl cluster from the CO2 reaction of a zero-valent nickel monocarbonyl species
• Authors of publication: Yoo, Changho; Lee, Yunho
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 849
• a: 24.031 ± 0.003 Å
• b: 24.031 ± 0.003 Å
• c: 45.282 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26150 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No