Information card for entry 2235571

Structure parameters

• Chemical name: [4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline- κ^2^<i>N</i>,<i>N</i>']iodido(triphenylphosphane-κ<i>P</i>)copper(I)
• Formula: C30 H24 Br Cu I N2 P
• Calculated formula: C30 H24 Br Cu I N2 P
• SMILES: I[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=Cc2[n]1cccc2)c1ccc(Br)cc1
• Title of publication: [4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']iodido(triphenylphosphane-κ<i>P</i>)copper(I)
• Authors of publication: Khalaji, Aliakbar Dehno; Bahramian, Bahram; Jafari, Khadijeh; Fejfarová, Karla; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m1001 - m1002
• a: 10.3141 ± 0.0005 Å
• b: 34.7124 ± 0.0016 Å
• c: 8.3792 ± 0.0004 Å
• α: 90°
• β: 114.321 ± 0.006°
• γ: 90°
• Cell volume: 2733.7 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes