Information card for entry 7215264

Structure parameters

• Formula: C33 H27 Co N6 O2
• Calculated formula: C33 H27 Co N6 O2
• SMILES: c1ccc2C(=c3ccc[n]3[Co]34(n12)([n]1cccc1=C(c1cccn31)c1cccnc1)[O]=C(C)C=C(O4)C)c1cccnc1
• Title of publication: Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers
• Authors of publication: Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 4973
• a: 17.4918 ± 0.0003 Å
• b: 10.4582 ± 0.0002 Å
• c: 14.8252 ± 0.0003 Å
• α: 90°
• β: 97.197 ± 0.001°
• γ: 90°
• Cell volume: 2690.65 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No