Information card for entry 7121857

Structure parameters

• Formula: C30 H28 F12 N8 Ni P2
• Calculated formula: C30 H28 F12 N8 Ni P2
• Title of publication: Unusual rearrangement of an N-heterocyclic carbene via a ring-opening and ring-closing process.
• Authors of publication: Yang, Chu-Fan; Lu, Taotao; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 56
• Pages of publication: 7830 - 7833
• a: 10.7258 ± 0.0012 Å
• b: 18.871 ± 0.002 Å
• c: 16.3402 ± 0.0017 Å
• α: 90°
• β: 93.244 ± 0.002°
• γ: 90°
• Cell volume: 3302.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No