Information card for entry 4116477

Structure parameters

• Formula: C14 H20 N4 Ni S6
• Calculated formula: C18 H20 N4 Ni0.5 S10
• Title of publication: New [M(R,R'timdt)2] Metal-Dithiolenes and Related Compounds (M = Ni, Pd, Pt; R,R'timdt = Monoanion of Disubstituted Imidazolidine-2,4,5-trithiones): An Experimental and Theoretical Investigation
• Authors of publication: Maria Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Alessandra Garau; Francesco Isaia; Francesco Lelj; Vito Lippolis; Gaetano Verani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 7098 - 7107
• a: 5.723 ± 0.003 Å
• b: 9.58 ± 0.006 Å
• c: 9.67 ± 0.006 Å
• α: 97.79 ± 0.02°
• β: 104.12 ± 0.02°
• γ: 91.26 ± 0.02°
• Cell volume: 508.6 ± 0.5 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.388
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No