Information card for entry 7125229

Structure parameters

• Formula: C53 H38 N4 Ni
• Calculated formula: C53 H38 N4 Ni
• Title of publication: Pre-organization of clefts for Ag-π interactions in Zn(ii) bisdipyrrin helicates for the construction of heterometallic networks.
• Authors of publication: Baudron, Stéphane A; Hosseini, Mir Wais
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 88
• Pages of publication: 13000 - 13003
• a: 10.7748 ± 0.0004 Å
• b: 11.5828 ± 0.0004 Å
• c: 35.9716 ± 0.0011 Å
• α: 90°
• β: 93.971 ± 0.002°
• γ: 90°
• Cell volume: 4478.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No