Information card for entry 7000405

Structure parameters

• Formula: C25 H22 N4
• Calculated formula: C25 H22 N4
• SMILES: c1ccc2ccc3C(=CC(C)(c4cc(ccn4)C)Nc3c2n1)c1cc(ccn1)C
• Title of publication: Direct synthesis of a new class of N,N,N ligands based on 1,2-dihydro-1,10-phenanthroline backbone and their coordination to Pd complexes
• Authors of publication: Rangheard, Claudine; Proriol, David; Olivier-Bourbigou, Hélène; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 5
• Pages of publication: 770 - 772
• a: 30.417 ± 0.005 Å
• b: 13.252 ± 0.002 Å
• c: 10.065 ± 0.0011 Å
• α: 90°
• β: 102.944 ± 0.008°
• γ: 90°
• Cell volume: 3954 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2603
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No