Information card for entry 7112810

Structure parameters

• Formula: C28 H41 N5
• Calculated formula: C28 H41 N5
• SMILES: n1ccccc1c1nnc(n1CCCCCCCCCCCCCCCC)c1ncccc1
• Title of publication: Room-temperature spin crossover and Langmuir-Blodgett film formation of an iron(II) triazole complex featuring a long alkyl chain substituent: the tail that wags the dog.
• Authors of publication: Kitchen, Jonathan A.; White, Nicholas G.; Gandolfi, Claudio; Albrecht, Martin; Jameson, Guy N. L.; Tallon, Jeffery L.; Brooker, Sally
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6464 - 6466
• a: 65.021 ± 0.008 Å
• b: 4.6519 ± 0.0004 Å
• c: 17.505 ± 0.002 Å
• α: 90°
• β: 105.188 ± 0.004°
• γ: 90°
• Cell volume: 5109.8 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No