Information card for entry 7041993

Structure parameters

• Formula: C154 H159 Gd8 N15 Ni6 O59
• Calculated formula: C154 H157 Gd8.002 N15 Ni6 O59
• Title of publication: Tetradecanuclearity in 3d-4f chemistry: relaxation and magnetocaloric effects in [NiLn] species.
• Authors of publication: Canaj, Angelos B.; Kalofolias, Dimitris A.; Siczek, Milosz; Lis, Tadeusz; McNab, Robbie; Lorusso, Giulia; Inglis, Ross; Evangelisti, Marco; Milios, Constantinos J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3449 - 3452
• a: 14.238 ± 0.005 Å
• b: 18.199 ± 0.007 Å
• c: 18.053 ± 0.007 Å
• α: 69.2 ± 0.04°
• β: 83.19 ± 0.03°
• γ: 83.63 ± 0.03°
• Cell volume: 4330 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No