Information card for entry 7054386

Structure parameters

• Chemical name: 2,2'-((1E,1'E)-(ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(4-benzhydrylphenol)
• Formula: C42 H36 N2 O2
• Calculated formula: C42 H36 N2 O2
• SMILES: c1(c(cc(cc1)C(c1ccccc1)c1ccccc1)/C=N/CC/N=C/c1c(ccc(c1)C(c1ccccc1)c1ccccc1)O)O
• Title of publication: Luminescent bi-metallic fluoroborate derivatives of bulky salen ligands
• Authors of publication: Guieu, Samuel; Cardona, Francisco; Rocha, João; Silva, Artur M. S.
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 11
• Pages of publication: 5411
• a: 11.8811 ± 0.0013 Å
• b: 8.5426 ± 0.0008 Å
• c: 16.4812 ± 0.0016 Å
• α: 90°
• β: 106.687 ± 0.004°
• γ: 90°
• Cell volume: 1602.3 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.1137
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No