Information card for entry 7200939

Structure parameters

• Formula: C36.5 H35 Co N5 O4.5
• Calculated formula: C36.5 H35 Co N5 O4.5
• SMILES: c1ccc2C(=c3ccc[n]3[Co]345(n12)[N](=Cc1c(O4)cccc1)CC[N]3=Cc1ccccc1O5)c1ccc(cc1)C(=O)N.O=C(C)C.O=C(C)C
• Title of publication: Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding
• Authors of publication: Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1245
• a: 23.4552 ± 0.0004 Å
• b: 17.1577 ± 0.0003 Å
• c: 17.1153 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6887.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No