Information card for entry 7020719

Structure parameters

• Formula: C26 H35 N3 O
• Calculated formula: C26 H35 N3 O
• SMILES: c1(cc(c2ccccn2)[nH]n1)c1ccc(cc1)OCCCCCCCCCCCC
• Title of publication: Silver-pyrazole complexes as hybrid multifunctional materials with metallomesogenic and photoluminescent behaviour.
• Authors of publication: Ovejero, Paloma; Asensio, Eduardo; Heras, José Vicente; Campo, José Antonio; Cano, Mercedes; Torres, M. Rosario; Núñez, Cristina; Lodeiro, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2107 - 2120
• a: 5.7919 ± 0.0006 Å
• b: 11.3124 ± 0.0012 Å
• c: 18.4842 ± 0.0019 Å
• α: 83.323 ± 0.002°
• β: 87.083 ± 0.002°
• γ: 83.546 ± 0.002°
• Cell volume: 1194.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1403
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No