Information card for entry 4310554

Structure parameters

• Common name: Ph,Mes-L-DBF-H2acetone
• Formula: C47 H46 N4 O2
• Calculated formula: C47 H46 N4 O2
• SMILES: o1c2c(/C(=N\c3c(C)cc(C)cc3C)Nc3ccccc3)cccc2c2c1c(ccc2)/C(=N\c1c(cc(cc1C)C)C)Nc1ccccc1.O=C(C)C
• Title of publication: Synthesis and Characterization of Binucleating Bis(amidinate) Ligands and Their Dialuminum Complexes
• Authors of publication: Bronya Clare; Niladri Sarker; Richard Shoemaker; John R. Hagadorn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1159 - 1166
• a: 10.8708 ± 0.001 Å
• b: 14.0678 ± 0.0014 Å
• c: 14.1881 ± 0.0013 Å
• α: 106.247 ± 0.002°
• β: 92.611 ± 0.003°
• γ: 111.536 ± 0.002°
• Cell volume: 1910.8 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No