Information card for entry 7210324

Structure parameters

• Formula: C46 H40 Cl6 N6 Ni O
• Calculated formula: C46 H40 Cl6 N6 Ni O
• Title of publication: Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers
• Authors of publication: Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 5980
• a: 13.8377 ± 0.0003 Å
• b: 13.8377 ± 0.0003 Å
• c: 20.3849 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3380.39 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No