Information card for entry 7039558

Structure parameters

• Formula: C63 H103 Co N5 O P3 Zr
• Calculated formula: C63 H103 Co N5 O P3 Zr
• Title of publication: Multi-electron redox processes at a Zr(iv) center facilitated by an appended redox-active cobalt-containing metalloligand.
• Authors of publication: Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11182 - 11190
• a: 12.6423 ± 0.0004 Å
• b: 12.9539 ± 0.0004 Å
• c: 21.9518 ± 0.0007 Å
• α: 89.6031 ± 0.0017°
• β: 74.4605 ± 0.0015°
• γ: 75.7836 ± 0.0015°
• Cell volume: 3350.82 ± 0.19 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1307
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9534
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No