Information card for entry 7227478

Structure parameters

• Formula: C36 H25 N5 O2
• Calculated formula: C36 H25 N5 O2
• SMILES: c1(cc(c([nH]1)N=c1c(cc(c2ccccc2OC)n1)c1ccc(cc1)C#N)c1ccc(cc1)C#N)c1ccccc1OC
• Title of publication: AzaBODIPY based coordination polymers
• Authors of publication: Mazel, Antoine; Baudron, Stéphane A.; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 897
• a: 9.1444 ± 0.0008 Å
• b: 12.27 ± 0.0008 Å
• c: 13.4648 ± 0.001 Å
• α: 110.287 ± 0.002°
• β: 95.118 ± 0.003°
• γ: 90.687 ± 0.003°
• Cell volume: 1409.92 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1637
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No