Information card for entry 4506989

Structure parameters

• Formula: C61 H67 B4 F16 N28 Ni2 O1.5
• Calculated formula: C59 H48 B3 F12 N27 Ni2 O1.5
• Title of publication: Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances
• Authors of publication: Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5169
• a: 14.0334 ± 0.0006 Å
• b: 18.0136 ± 0.0007 Å
• c: 18.0881 ± 0.0007 Å
• α: 109.952 ± 0.002°
• β: 101.607 ± 0.002°
• γ: 103.647 ± 0.002°
• Cell volume: 3973.1 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No