Information card for entry 4318465

Structure parameters

• Formula: C20 H18 Br Cu2 N5 S4 W
• Calculated formula: C20 H15 Br Cu2 N5 S4 W
• Title of publication: Synthesis and Reactions of Group 6 Metal Half-Sandwich Complexes of 2,2-Dicyanoethylene-1,1-dichalcogenolates [(Cp*)M{E2CC(CN)2}2]- (M = Mo, W; E = S, Se)
• Authors of publication: Maochun Hong; Rong Cao; Hiroyuki Kawaguchi; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4824 - 4833
• a: 11.28 ± 0.02 Å
• b: 14.758 ± 0.006 Å
• c: 9.597 ± 0.003 Å
• α: 98.21 ± 0.03°
• β: 90.64 ± 0.06°
• γ: 74.84 ± 0.04°
• Cell volume: 1526 ± 3 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 3.134
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No