Information card for entry 7054081

Structure parameters

• Formula: C52 H45 Cl2 N8 Ni O10.5 S16
• Calculated formula: C52 H44 Cl2 N8 Ni O10.5 S16
• Title of publication: Terpyridine‒tetrathiafulvalene hybrid ligands and their electroactive metal complexes
• Authors of publication: Belhadj, Esmah; El-Ghayoury, Abdelkrim; Ripaud, Emilie; Zorina, Leokadiya; Allain, Magali; Batail, Patrick; Mazari, Miloud; Sallé, Marc
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 5
• Pages of publication: 1427
• a: 8.967 ± 0.009 Å
• b: 17.79 ± 0.01 Å
• c: 21.38 ± 0.02 Å
• α: 83 ± 0.1°
• β: 88.3 ± 0.1°
• γ: 77.74 ± 0.09°
• Cell volume: 3308 ± 5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3442
• Residual factor for significantly intense reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.3306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No