Information card for entry 7035883

Structure parameters

• Formula: C21 H27 F12 N9 Ni P2
• Calculated formula: C21 H27 F12 N9 Ni P2
• SMILES: [Ni]123=C4N(C)C=CN4CN4C=1N(C=C4)CCCN1C=2N(C=C1)CN1C=3N(C=C1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Structural diversity of late transition metal complexes with flexible tetra-NHC ligands.
• Authors of publication: Weiss, Daniel T.; Altmann, Philipp J.; Haslinger, Stefan; Jandl, Christian; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18329 - 18339
• a: 10.62 ± 0.0002 Å
• b: 13.0884 ± 0.0002 Å
• c: 40.5195 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5632.16 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No