Information card for entry 7013992

Structure parameters

• Formula: C25 H15 Cl2 Cr2 N3 O13 S3 V
• Calculated formula: C25 H15 Cl2 Cr2 N3 O13 S3 V
• SMILES: C(Cl)Cl.C([Cr](C#[O])(C#[O])(C#[O])(C#[O])C1c2[n](c(cs2)C)[V]2([n]3c(C([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])=[O]2)scc3C)([n]2cscc2C)([O]=1)=O)#[O]
• 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: 10.3226 ± 0.0001 Å
• b: 15.9568 ± 0.0002 Å
• c: 21.541 ± 0.0003 Å
• α: 90°
• β: 101.425 ± 0.001°
• γ: 90°
• Cell volume: 3477.83 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No