Information card for entry 4317316

Structure parameters

• Formula: C31 H66 Co N10 O4
• Calculated formula: C31 H66 Co N10 O4
• SMILES: [Co]123([N](CC[N]1=C(NC(C)C)NC(C)C)(CC[N]2=C(NC(C)C)NC(C)C)CC[N]3=C(NC(C)C)NC(C)C)OC(=O)C.[O-]C(=O)C
• Title of publication: Trigonal Bi- and Monopyramidal Cobalt(II) Complexes of a Novel Guanidine-Based Tripodal Ligand
• Authors of publication: Cassandra E. Searls; Scott T. Kleespies; Matthew L. Eppright; Sarina C. Schwartz; Glenn P. A. Yap; Robert C. Scarrow
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11261 - 11263
• a: 16.458 ± 0.005 Å
• b: 13.57 ± 0.004 Å
• c: 18.185 ± 0.005 Å
• α: 90°
• β: 97.521 ± 0.005°
• γ: 90°
• Cell volume: 4026 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.1161
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2312
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No