Information card for entry 4302658

Structure parameters

• Formula: C28 H38 N4 O
• Calculated formula: C28 H38 N4 O
• SMILES: C1[C@@]2(C(=O)[C@@](CN1C)(CN(C2)C1(CN(CCN(C1)C)C)C)c1ccccc1)c1ccccc1
• Title of publication: Novel Bispidine Ligands and Their First-Row Transition Metal Complexes: Trigonal Bipyramidal and Trigonal Prismatic Geometries
• Authors of publication: Peter Comba; Christina Haaf; Hubert Wadepohl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6604 - 6614
• a: 10.738 ± 0.005 Å
• b: 10.891 ± 0.005 Å
• c: 11.048 ± 0.005 Å
• α: 92.174 ± 0.008°
• β: 93.011 ± 0.013°
• γ: 110.066 ± 0.011°
• Cell volume: 1209.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0914
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No