Information card for entry 7044798

Structure parameters

• Formula: C177.5 H226 Cl3 Co6 Cr N36 O43.5
• Calculated formula: C177.5 H226 Cl3 Co6 Cr N36 O43.5
• Title of publication: Constructing Cr^III-centered heterometallic complexes: [NiCr^III] and [CoCr^III] wheels.
• Authors of publication: Kakaroni, Foteini E.; Collet, Alexandra; Sakellari, Eirini; Tzimopoulos, Demetrios I.; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Milios, Constantinos J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 58 - 61
• a: 19.452 ± 0.004 Å
• b: 33.404 ± 0.007 Å
• c: 29.13 ± 0.006 Å
• α: 90°
• β: 92.77 ± 0.02°
• γ: 90°
• Cell volume: 18906 ± 7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No