Information card for entry 4316328

Structure parameters

• Formula: C50 H53 B Br Co N5
• Calculated formula: C50 H53 B Br Co N5
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.Br[Co]123[N](c4ccccc4[N]1(C)C)(c1ccccc1[N]2(C)C)c1ccccc1[N]3(C)C.CC#N
• Title of publication: Transition Metal Complexes Supported by a Neutral Tetraamine Ligand Containing N,N-dimethylaniline Units
• Authors of publication: Lei Chu; Kenneth I. Hardcastle; Cora E. MacBeth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7521 - 7529
• a: 12.5584 ± 0.0003 Å
• b: 18.1423 ± 0.0005 Å
• c: 19.2187 ± 0.0005 Å
• α: 90°
• β: 96.238 ± 0.001°
• γ: 90°
• Cell volume: 4352.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No