Information card for entry 4082001

Structure parameters

• Common name: (PNP)NiCOONi(PNP)
• Formula: C57 H90 N2 Ni2 O3 P4
• Calculated formula: C57 H90 N2 Ni2 O3 P4
• Title of publication: Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κC
• Authors of publication: Yoo, Changho; Kim, Jin; Lee, Yunho
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7195
• a: 13.801 ± 0.003 Å
• b: 15.714 ± 0.003 Å
• c: 16.722 ± 0.003 Å
• α: 62.16 ± 0.03°
• β: 67.7 ± 0.03°
• γ: 70.62 ± 0.03°
• Cell volume: 2913.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No