Information card for entry 7102712

Structure parameters

• Formula: C44 H52 B3 Co F12 N12 O6
• Calculated formula: C44 H52 B3 Co F12 N12 O6
• Title of publication: Control of molecular architecture by use of the appropriate ligand isomer: a mononuclear "corner-type" versus a tetranuclear [2 x 2] grid-type cobalt(III) complex.
• Authors of publication: Hausmann, Julia; Brooker, Sally
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 13
• Pages of publication: 1530 - 1531
• a: 11.6949 ± 0.0008 Å
• b: 19.2367 ± 0.0014 Å
• c: 22.1692 ± 0.0016 Å
• α: 90°
• β: 100.437 ± 0.001°
• γ: 90°
• Cell volume: 4904.9 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No