Information card for entry 7044799

Structure parameters

• Formula: C171.5 H212.5 Cl3 Cr N36 Ni6 O42.75
• Calculated formula: C171.5 H206 Cl3 Cr N36 Ni6 O42.75
• 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: 19.425 ± 0.004 Å
• b: 33.388 ± 0.005 Å
• c: 28.956 ± 0.006 Å
• α: 90°
• β: 93.62 ± 0.02°
• γ: 90°
• Cell volume: 18742 ± 6 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: 0.1252
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1707
• Weighted residual factors for all reflections included in the refinement: 0.2077
• 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