Information card for entry 7004717

Structure parameters

• Formula: C32 H44 Cl3 Co N5 O3.5
• Calculated formula: C31 H40 Cl3 Co N5 O2.5
• Title of publication: Synthesis of the chiral tripyridyldiamine ligand Bn-CDPy3 and characterization of its Co(iii) complex [Co(Bn-CDPy3)Cl]Cl2
• Authors of publication: Hammoud, Mirvat M.; McKamie, Joshua J.; Heeg, Mary Jane; Kodanko, Jeremy J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4843 - 4845
• a: 14.5658 ± 0.0003 Å
• b: 14.8438 ± 0.0003 Å
• c: 18.4793 ± 0.0004 Å
• α: 107.348 ± 0.001°
• β: 105.842 ± 0.001°
• γ: 96.43 ± 0.001°
• Cell volume: 3586.56 ± 0.13 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: 0.0642
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No