Information card for entry 7013995

Structure parameters

• Formula: C28 H18 Cr2 N4 Ni O12 S4
• Calculated formula: C28 H18 Cr2 N4 Ni O12 S4
• SMILES: C(#[O])[Cr](C#[O])(C#[O])(C#[O])(C#[O])C1c2[n](c(cs2)C)[Ni]2([n]3cscc3C)([O]=1)([n]1c(C([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])=[O]2)scc1C)[n]1cscc1C
• Title of publication: Anionic Fischer-type carbene complexes as bidentate (N,O) ligands.
• Authors of publication: Raubenheimer, Helgard G.; du Toit, Aletta; du Toit, Maria; An, Jin; van Niekerk, Lizette; Cronje, Stephanie; Esterhuysen, Catharine; Crouch, Andrew M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1173 - 1180
• a: 9.1998 ± 0.0001 Å
• b: 10.1307 ± 0.0001 Å
• c: 10.8045 ± 0.0001 Å
• α: 68.041 ± 0.001°
• β: 68.52 ± 0.001°
• γ: 81.515 ± 0.001°
• Cell volume: 868.997 ± 0.017 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No