Information card for entry 4302661

Structure parameters

• Formula: C32 H44 Cl2 Co N6 O9
• Calculated formula: C32 H44 Cl2 Co N6 O9
• SMILES: C1[C@@]2(C(=O)[C@@]3(C[N]41C1(C[N]5(CC[N](C1)(C)[Co]45([N]#CC)[N](C3)(C2)C)C)C)c1ccccc1)c1ccccc1.C(#N)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 10.28 ± 0.006 Å
• b: 11.56 ± 0.007 Å
• c: 15.176 ± 0.009 Å
• α: 77.424 ± 0.014°
• β: 80.617 ± 0.015°
• γ: 86.043 ± 0.012°
• Cell volume: 1735.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No