Information card for entry 7041383

Structure parameters

• Formula: C44 H37 F12 N15 Ni P2
• Calculated formula: C44 H37 F12 N15 Ni P2
• SMILES: [Ni]1234([n]5nn(cc5CN5C=3N(c3[n]2cccn3)c2c5cccc2)Cc2ccccc2)=C2N(c3c(N2c2[n]4cccn2)cccc3)Cc2[n]1nn(c2)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Unsymmetrical NCN-pincer mononuclear and dinuclear nickel(ii) complexes of N-heterocyclic carbene (NHC): synthesis, structure and catalysis for Suzuki-Miyaura cross-coupling.
• Authors of publication: Gu, Shaojin; Du, Jiehao; Huang, Jingjing; Guo, Yun; Yang, Ling; Xu, Weilin; Chen, Wanzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 586 - 594
• a: 12.6109 ± 0.0006 Å
• b: 12.8032 ± 0.0006 Å
• c: 15.6696 ± 0.0008 Å
• α: 89.022 ± 0.004°
• β: 75.221 ± 0.004°
• γ: 81.746 ± 0.004°
• Cell volume: 2420.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.096
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No