Information card for entry 4327683

Structure parameters

• Formula: C22 H19 N2 Ni S10
• Calculated formula: C22 H19 N2 Ni S10
• SMILES: [Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.c1(ccc(cc1)N(C)C)/C=C/c1cc[n+](C)cc1
• Title of publication: Synthesis, Structure, and Physical Properties of Nickel Bis(dithiolene) Metal Complexes, [Ni(dmit)2], with Highly Polar Cyanine Dyes
• Authors of publication: Isabelle Malfant; Raquel Andreu; Pascal G. Lacroix; Christophe Faulmann; Patrick Cassoux
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3361 - 3370
• a: 13.432 ± 0.002 Å
• b: 16.101 ± 0.002 Å
• c: 6.553 ± 0.001 Å
• α: 99.69 ± 0.01°
• β: 94.34 ± 0.01°
• γ: 102.88 ± 0.01°
• Cell volume: 1352.4 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0289
• Goodness-of-fit parameter for significantly intense reflections: 1.1373
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No