Information card for entry 7234122

Structure parameters

• Formula: C52 B6 Co F3 N7 O2
• Calculated formula: C52 B6 Co F3 N7 O2
• Title of publication: Spin-crossover, mesomorphic and thermoelectrical properties of cobalt(ii) complexes with alkylated N3-Schiff bases
• Authors of publication: Norbani Abdullah; Nur Linahafizza Md Noor; Abdul Rahman Nordin; Malcolm A. Halcrow; Douglas R. MacFarlane; Manoj A. Lazar; Jennifer M. Pringle; Duncan W. Bruce; Bertrand Donnio; Benoit Heinrich
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 2491 - 2499
• a: 17.1066 ± 0.0013 Å
• b: 9.3515 ± 0.0007 Å
• c: 21.8195 ± 0.0016 Å
• α: 90°
• β: 107.637 ± 0.001°
• γ: 90°
• Cell volume: 3326.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.3321
• Residual factor for significantly intense reflections: 0.2929
• Weighted residual factors for significantly intense reflections: 0.6757
• Weighted residual factors for all reflections included in the refinement: 0.6942
• Goodness-of-fit parameter for all reflections included in the refinement: 5.398
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No