Information card for entry 7215266

Structure parameters

• Formula: C37 H35 Co N6 O3
• Calculated formula: C37 H35 Co N6 O3
• SMILES: c1ccc2C(=c3ccc[n]3[Co]34(n12)([n]1cccc1=C(c1cccn31)c1ccncc1)[O]=C(C)C=C(C)O4)c1ccncc1.C1CCCO1
• 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: 13.2927 ± 0.0015 Å
• b: 14.5956 ± 0.0016 Å
• c: 17.1232 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3322.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No