Information card for entry 7101715

Structure parameters

• Formula: C66 H81 I4 N4 P
• Calculated formula: C66 H81 I4 N4 P
• SMILES: Ip1[n+](cc(cn1c1c(cccc1C(C)C)C(C)C)c1ccc(cc1)C(/C=N/c1c(cccc1C(C)C)C(C)C)(/C=N/c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C.I[I-]I
• Title of publication: beta-Diiminato ligand (L) transformations in reactions of KL with PI3 and I2 [L = {N(C6H3Pr(i)2-2,6)C(H)}2CPh].
• Authors of publication: Hitchcock, Peter B; Lappert, Michael F; Li, Gang; Protchenko, Andrey V
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 8
• Pages of publication: 846 - 848
• a: 10.4165 ± 0.0002 Å
• b: 17.3501 ± 0.0005 Å
• c: 19.9124 ± 0.0006 Å
• α: 67.651 ± 0.001°
• β: 88.601 ± 0.002°
• γ: 79.776 ± 0.002°
• Cell volume: 3271.88 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No