Information card for entry 7018030

Structure parameters

• Formula: C42 H70 N6 Ni3 O10 S16
• Calculated formula: C42 H70 N6 Ni3 O10 S16
• Title of publication: Paramagnetic dithiolene complexes as metallo-ligands: ether/thioether coordination.
• Authors of publication: Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1441 - 1443
• a: 8.9808 ± 0.0002 Å
• b: 13.5908 ± 0.0002 Å
• c: 14.3025 ± 0.0003 Å
• α: 83.547 ± 0.001°
• β: 81.743 ± 0.001°
• γ: 79.245 ± 0.001°
• Cell volume: 1690.68 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No