Information card for entry 4066151

Structure parameters

• Formula: C25 H30 Cl N5
• Calculated formula: C25 H30 Cl N5
• SMILES: c1n(cc[n+]1C(=N\c1c(cccc1C)C)\C)C(=N\c1c(cccc1C)C)\C.C(#N)C.[Cl-]
• Title of publication: Synthesis and Structural Characterization of the First Copper(I) Complexes with Bis(imino)-N-heterocyclic Carbene NCN Pincer Ligands
• Authors of publication: Al Thagfi, Jameel; Dastgir, Sarim; Lough, Alan J.; Lavoie, Gino G.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 14
• Pages of publication: 3133
• a: 11.2342 ± 0.0008 Å
• b: 11.2603 ± 0.0009 Å
• c: 11.4874 ± 0.0006 Å
• α: 111.193 ± 0.004°
• β: 91.473 ± 0.004°
• γ: 115.376 ± 0.003°
• Cell volume: 1195.68 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No