Information card for entry 7018032

Structure parameters

• Formula: C31 H59 N2 Ni O3 S8
• Calculated formula: C31 H59 N2 Ni O3 S8
• 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: 22.307 ± 0.0011 Å
• b: 12.9869 ± 0.0006 Å
• c: 17.3369 ± 0.0008 Å
• α: 90°
• β: 125.516 ± 0.002°
• γ: 90°
• Cell volume: 4088.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No