Information card for entry 7200936

Structure parameters

• Formula: C40 H40 N6 O6 Zn
• Calculated formula: C40 H40 N6 O6 Zn
• SMILES: c1ccc2C(=c3ccc[n]3[Zn]3(n12)n1cccc1C(=c1ccc[n]31)c1ccc(cc1)C(=O)N)c1ccc(cc1)C(=O)N.C1COCCO1.C1COCCO1
• 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: 9.9609 ± 0.0003 Å
• b: 13.6458 ± 0.0003 Å
• c: 14.1783 ± 0.0003 Å
• α: 103.315 ± 0.001°
• β: 97.276 ± 0.002°
• γ: 95.44 ± 0.002°
• Cell volume: 1844.87 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No