Information card for entry 7206846

Structure parameters

• Formula: C34 H26 N4 Ni O4
• Calculated formula: C34 H26 N4 Ni O4
• Title of publication: A free-base dipyrrin capable of forming extended architectures comparable to those of its metal(ii) complex counterparts
• Authors of publication: Artigau, Marine; Bonnet, Antoine; Ladeira, Sonia; Hoffmann, Pascal; Vigroux, Alain
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 7149
• a: 22.9274 ± 0.0008 Å
• b: 21.1264 ± 0.0008 Å
• c: 23.173 ± 0.0009 Å
• α: 90°
• β: 90.436 ± 0.002°
• γ: 90°
• Cell volume: 11224.1 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.2078
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.745
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No