Information card for entry 7047366

Structure parameters

• Formula: C92 H96 Cl Gd N20 Ni6 O21
• Calculated formula: C92 H96 Cl Gd N20 Ni6 O21
• Title of publication: Heterometallic lanthanide-centred [NiLn^III] rings.
• Authors of publication: Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Kalofolias, Dimitris A.; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Milios, Constantinos J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 12863 - 12867
• a: 13.217 ± 0.006 Å
• b: 17.084 ± 0.006 Å
• c: 22.417 ± 0.009 Å
• α: 81.23 ± 0.08°
• β: 78.33 ± 0.07°
• γ: 74.33 ± 0.06°
• Cell volume: 4747 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2535
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No