Information card for entry 7025461

Structure parameters

• Formula: C31 H31 Cr N6 O7 S6
• Calculated formula: C31 H31 Cr N6 O7 S6
• SMILES: [Cr]123(OC(=N[N]1=C1SCCS1)c1c(O)cccc1)(OC(=N[N]2=C1SCCS1)c1c(O)cccc1)OC(=N[N]3=C1SCCS1)c1c(O)cccc1.OC
• Title of publication: Novel Cr(III) dinuclear complexes supported by salicyloylhydrazono dithiolane and dithiane ligands: synthesis, stability, crystal structures and magnetic properties.
• Authors of publication: Clément, Nicolas; Toussaint, Clément; Rogez, Guillaume; Loose, Claudia; Kortus, Jens; Brelot, Lydia; Choua, Sylvie; Dagorne, Samuel; Turek, Philippe; Welter, Richard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 19
• Pages of publication: 4579 - 4585
• a: 9.932 ± 0.002 Å
• b: 12.037 ± 0.004 Å
• c: 16.021 ± 0.005 Å
• α: 80.157 ± 0.005°
• β: 83.167 ± 0.005°
• γ: 69.42°
• Cell volume: 1763.1 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No