Information card for entry 7038018

Structure parameters

• Formula: C84 H72 La N6.45 Ni2 O13.9
• Calculated formula: C84 H72 La N6.4453 Ni2 O13.8907
• 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: 23.047 ± 0.003 Å
• b: 23.509 ± 0.003 Å
• c: 18.57 ± 0.002 Å
• α: 90°
• β: 120.378 ± 0.003°
• γ: 90°
• Cell volume: 8680.1 ± 1.9 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: 0.0818
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No