Information card for entry 4319016

Structure parameters

• Formula: C32 H40 Cr2 N2 S2
• Calculated formula: C32 H40 Cr2 N2 S2
• SMILES: [c]12([c]3([Cr]456782([c]1([c]4([c]35C)C)C)[Cr]12345([c]9([c]5([c]4([c]2([c]19C)C)C)C)C)([NH]6c1c(cccc1)S8)[NH]7c1c(cccc1)S3)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: 11.3847 ± 0.0006 Å
• b: 9.6404 ± 0.0005 Å
• c: 13.3979 ± 0.0007 Å
• α: 90°
• β: 95.782 ± 0.002°
• γ: 90°
• Cell volume: 1462.98 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0301
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No