Information card for entry 4319017

Structure parameters

• Formula: C32 H38 Cr2 S4
• Calculated formula: C32 H38 Cr2 S4
• SMILES: [c]12([Cr]34567(Sc8c(cccc8)[S]6[Cr]689%10%11([c]%12([c]%11([c]%10([c]8([c]6%12C)C)C)C)C)[S]7c6c(cccc6)S9)[c]1([c]3([c]4([c]25C)C)C)C)C
• Title of publication: Dinuclear Oxidative Addition of N-H and S-H Bonds at Chromium. Reaction of .Cr(CO)3(C5Me5) with {o-(HA)C6H4S-Cr(CO)3(C5Me5)} (A = S, NH) Yielding [η2-o-(μ-A)C6H4S-Cr(C5Me5)]2 and H-Cr(CO)3(C5Me5)
• Authors of publication: Kengkaj Sukcharoenphon; Telvin D. Ju; Khalil A. Abboud; Carl D. Hoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6769 - 6774
• a: 8.0712 ± 0.0003 Å
• b: 10.3454 ± 0.0004 Å
• c: 10.7893 ± 0.0005 Å
• α: 62.673 ± 0.002°
• β: 70.209 ± 0.002°
• γ: 80.978 ± 0.002°
• Cell volume: 753.09 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No