Information card for entry 4505509

Structure parameters

• Formula: C38 H29 Co N6 O13
• Calculated formula: C38 H26 Co N6 O13
• Title of publication: Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule
• Authors of publication: Ali, Afsar; Hundal, Geeta; Gupta, Rajeev
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1308
• a: 10.3708 ± 0.0003 Å
• b: 15.3526 ± 0.0005 Å
• c: 15.0072 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2389.43 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No