Information card for entry 4349455

Structure parameters

• Common name: {(PNP)Ni}2(CO3)
• Formula: C53 H80 N2 Ni2 O3 P4
• Calculated formula: C53 H80 N2 Ni2 O3 P4
• 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: 12.8027 ± 0.0009 Å
• b: 24.6644 ± 0.0018 Å
• c: 17.9274 ± 0.0013 Å
• α: 90°
• β: 105.769 ± 0.002°
• γ: 90°
• Cell volume: 5447.9 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No