Information card for entry 7029245

Structure parameters

• Formula: C84 H72 Gd N7 Ni2 O15
• Calculated formula: C84 H72 Gd N7 Ni2 O15
• Title of publication: Synthesis and magnetothermal properties of a ferromagnetically coupled Ni(II)-Gd(III)-Ni(II) cluster.
• Authors of publication: Upadhyay, Apoorva; Komatireddy, Navatha; Ghirri, Alberto; Tuna, Floriana; Langley, Stuart K.; Srivastava, Anant K.; Sañudo, E Carolina; Moubaraki, Boujemaa; Murray, Keith S.; McInnes, Eric J. L.; Affronte, Marco; Shanmugam, Maheswaran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 259 - 266
• a: 22.825 ± 0.0018 Å
• b: 23.459 ± 0.0018 Å
• c: 18.676 ± 0.0014 Å
• α: 90°
• β: 120.296 ± 0.002°
• γ: 90°
• Cell volume: 8634.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No