Information card for entry 4318461

Structure parameters

• Formula: C26 H35 Mo N5 Se4
• Calculated formula: C26 H38 Mo N5 Se4
• SMILES: [Mo]123456([c]7([c]3([c]4([c]2([c]17C)C)C)C)C)([Se]C(=C(C#N)C#N)[Se]5)[Se]C(=C(C#N)C#N)[Se]6.[N+](CC)(CC)(CC)CC
• 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: 21.821 ± 0.004 Å
• b: 21.281 ± 0.001 Å
• c: 7.4857 ± 0.0006 Å
• α: 90°
• β: 103.125 ± 0.002°
• γ: 90°
• Cell volume: 3385.3 ± 0.7 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 3.321
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No