Information card for entry 7200938

Structure parameters

• Formula: C33 H27 Cl3 Co N5 O3
• Calculated formula: C33 H27 Cl3 Co N5 O3
• SMILES: c1ccc2C(=c3ccc[n]3[Co]345(n12)[N](=Cc1c(cccc1)O4)CC[N]3=Cc1ccccc1O5)c1ccc(cc1)C(=O)N.C(Cl)(Cl)Cl
• 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: 13.4382 ± 0.0005 Å
• b: 21.1339 ± 0.0008 Å
• c: 12.3217 ± 0.0004 Å
• α: 90°
• β: 114.358 ± 0.001°
• γ: 90°
• Cell volume: 3187.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2598
• Weighted residual factors for all reflections included in the refinement: 0.293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No