Information card for entry 7017341

Structure parameters

• Formula: C32 H40 Cl3 I3 N3 P
• Calculated formula: C32 H40 Cl3 I3 N3 P
• SMILES: P12[N](=Cc3[n+]1c(ccc3)C=[N]2c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.ClC(Cl)Cl.[I-](I)I
• Title of publication: Substitution matters: isolating phosphorus diiminopyridine complexes.
• Authors of publication: Martin, Caleb D.; Ragogna, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11976 - 11980
• a: 11.69 ± 0.002 Å
• b: 12.287 ± 0.002 Å
• c: 13.601 ± 0.002 Å
• α: 90°
• β: 93.493 ± 0.004°
• γ: 90°
• Cell volume: 1950 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No