Information card for entry 7021941

Structure parameters

• Formula: C22 H36 O3
• Calculated formula: C22 H36 O3
• SMILES: CCCCCCCCCCCCCCCc1c(c(ccc1)O)C(=O)O
• Title of publication: The synthesis, spectroscopy and X-ray single crystal structure of catena-[(μ-anacardato)-copper(ii)bipyridine][Cu2{(μ-O2CC6H3(o-OH)(o-C15H31)}4(NC5H5)2].
• Authors of publication: Malik, Mohammad Azad; O'Brien, Paul; Tuna, Floriana; Pritchard, Robin; Buchweishaija, Joseph; Kimambo, Elianaso; Mubofu, Egid B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 40
• Pages of publication: 14438 - 14444
• a: 20.1799 ± 0.0012 Å
• b: 14.7239 ± 0.0008 Å
• c: 6.9459 ± 0.0004 Å
• α: 90°
• β: 96.932 ± 0.002°
• γ: 90°
• Cell volume: 2048.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.2353
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No