Information card for entry 4081999

Structure parameters

• Common name: (PNP)NiCOOH
• Formula: C29.5 H41 N Ni O2 P2
• Calculated formula: C29.5 H41 N Ni O2 P2
• 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: 9.0518 ± 0.0001 Å
• b: 9.7357 ± 0.0002 Å
• c: 17.5938 ± 0.0003 Å
• α: 76.411 ± 0.001°
• β: 85.498 ± 0.001°
• γ: 83.95 ± 0.001°
• Cell volume: 1496.35 ± 0.04 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: 0.0504
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No