Information card for entry 4325794

Structure parameters

• Common name: eismc09
• Formula: C11 H10 N2
• Calculated formula: C11 H10 N2
• SMILES: [nH]1cccc1/C=N/c1ccccc1
• Title of publication: Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes
• Authors of publication: Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7172 - 7188
• a: 9.3869 ± 0.0009 Å
• b: 18.1191 ± 0.0017 Å
• c: 21.187 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3603.5 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No