Information card for entry 7038016

Structure parameters

• Formula: C86 H83 Cl0.5 N6.5 Ni2 O16.49 Tb
• Calculated formula: C86 H72 Cl0.528 N6.472 Ni2 O16.416 Tb
• Title of publication: Heteronuclear Ni(ii)-Ln(iii) (Ln = La, Pr, Tb, Dy) complexes: synthesis and single-molecule magnet behaviour.
• Authors of publication: Upadhyay, Apoorva; Das, Chinmoy; Langley, Stuart K.; Murray, Keith S.; Srivastava, Anant K.; Shanmugam, Maheswaran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3616 - 3626
• a: 22.819 ± 0.005 Å
• b: 23.509 ± 0.006 Å
• c: 18.669 ± 0.004 Å
• α: 90°
• β: 119.96 ± 0.005°
• γ: 90°
• Cell volume: 8677 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1256
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No