Information card for entry 4305130

Structure parameters

• Chemical name: [Et4N]4[Mo3S2(mnt)6]
• Formula: C58 H83 Mo3 N17 S14
• Calculated formula: C58 H83 Mo3 N17 S14
• SMILES: [Mo]12345([S]6[Mo]789([S]3[Mo]63%10([S]1C(=C(S2)C#N)C#N)([S]7C(C#N)=C(S3)C#N)SC(=C(S%10)C#N)C#N)([S]4C(C#N)=C(S8)C#N)SC(C#N)=C(S9)C#N)SC(C#N)=C(S5)C#N.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
• Title of publication: Mono-oxo Bis(dithiolene) Mo(IV)/W(IV) Complexes as Building Blocks for Sulfide Bridged Bi- and Tri-Nuclear Complexes
• Authors of publication: Amit Majumdar; Joyee Mitra; Kuntal Pal; Sabyasachi Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5360 - 5364
• a: 12.493 ± 0.005 Å
• b: 13.593 ± 0.005 Å
• c: 23.749 ± 0.005 Å
• α: 101.393 ± 0.005°
• β: 95.131 ± 0.005°
• γ: 98.312 ± 0.005°
• Cell volume: 3883 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1066
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No