Information card for entry 7031666

Structure parameters

• Formula: C49 H43 Br Cu N3 P2
• Calculated formula: C49 H43 Br Cu N3 P2
• SMILES: Br[Cu]1[N](=P(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2[n]1c(ccc2)CN=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Versatile coordination chemistry of a bis(methyliminophosphoranyl)pyridine ligand on copper centres.
• Authors of publication: Cheisson, Thibault; Auffrant, Audrey
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13399 - 13409
• a: 10.315 ± 0.001 Å
• b: 13.914 ± 0.001 Å
• c: 15.143 ± 0.001 Å
• α: 100.336 ± 0.001°
• β: 91.375 ± 0.001°
• γ: 95.391 ± 0.001°
• Cell volume: 2126.8 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0649
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No