Information card for entry 4080490

Structure parameters

• Formula: C25 H19 Br N P
• Calculated formula: C25 H19 Br N P
• SMILES: Brc1ccccc1/C=N/c1ccccc1P(c1ccccc1)c1ccccc1
• Title of publication: Nickel(II) and Palladium(II) Complexes with Tridentate [C,N,S] and [C,N,P] Ligands: Syntheses, Characterization, and Catalytic Norbornene Polymerization
• Authors of publication: Qiao, Ya-Lin; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1932
• a: 10.739 ± 0.002 Å
• b: 17.527 ± 0.004 Å
• c: 11.279 ± 0.002 Å
• α: 90°
• β: 106.456 ± 0.003°
• γ: 90°
• Cell volume: 2036 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No