Information card for entry 4312987

Structure parameters

• Common name: mono phe-tridentate ligand
• Formula: C41 H33 N3 O
• Calculated formula: C41 H33 N3 O
• SMILES: N(=C(c1ccccc1)c1ccccc1)c1ccccc1NC(=O)[C@@H](N=C(c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: Optically Active 4- and 5-Coordinate Transition Metal Complexes of Bifurcated Dipeptide Schiff Bases
• Authors of publication: Robin Polt; Brian D. Kelly; Brian D. Dangel; Udaya Bhaskar Tadikonda; Regina E. Ross; Arnold M. Raitsimring; Andrei V. Astashkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 566 - 574
• a: 9.7799 ± 0.0006 Å
• b: 17.6968 ± 0.001 Å
• c: 18.076 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3128.5 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No