Information card for entry 4089714

Structure parameters

• Formula: C20 H20 Cr2 N2 O10 S2
• Calculated formula: C20 H20 Cr2 N2 O10 S2
• SMILES: C(S[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(=C(N(CC)CC)N(CC)CC)S[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Syntheses and Properties of Dinuclear Group 6 Metal Complexes with the Zwitterionic Sulfur Donor Ligand Bis(N,N-diethylamino)carbeniumdithiocarboxylate
• Authors of publication: Sugaya, Tomoaki; Ohba, Takeshi; Sai, Fumiya; Mashima, Shigeru; Fujihara, Takashi; Unoura, Kei; Nagasawa, Akira
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3441
• a: 8.9141 ± 0.0015 Å
• b: 30.893 ± 0.005 Å
• c: 10.0997 ± 0.0016 Å
• α: 90°
• β: 102.203 ± 0.004°
• γ: 90°
• Cell volume: 2718.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No