Information card for entry 7218680

Structure parameters

• Formula: C14 H37.33 Cl5 Co N6 O3.67
• Calculated formula: C14 H37.33 Cl5 Co N6 O3.665
• Title of publication: Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 48
• Pages of publication: 11058
• a: 9.4847 ± 0.0002 Å
• b: 16.2433 ± 0.0003 Å
• c: 16.9867 ± 0.0003 Å
• α: 97.456 ± 0.001°
• β: 101.802 ± 0.002°
• γ: 102.069 ± 0.002°
• Cell volume: 2464.05 ± 0.09 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: 0.0337
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No