Information card for entry 4318462

Structure parameters

• Formula: C24 H26 K Mo N5 O Se5
• Calculated formula: C24 H26 K Mo N5 O Se5
• SMILES: [Mo]123456([Se]C(=C(C#N)C#N)[Se][Se]1)([Se]C(=C(C#N)C#N)[Se]2)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[K][O]1CCCC1.N#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: 7.676 ± 0.007 Å
• b: 27.28 ± 0.03 Å
• c: 15.211 ± 0.008 Å
• α: 90°
• β: 93.43 ± 0.06°
• γ: 90°
• Cell volume: 3179 ± 5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.591
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No