Information card for entry 7044497

Structure parameters

• Formula: C18 H26 Cl2 O2 V2
• Calculated formula: C18 H26 Cl2 O2 V2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[V]12345([O]2CCCC2)[Cl][V]2345([cH]6[cH]2[cH]3[cH]4[cH]56)([O]2CCCC2)[Cl]1
• Title of publication: Synthesis, Characterization and Magnetic Properties of Head-to-Head Stacked Vanadocenes
• Authors of publication: Heck, Jurgen; Puhl, Sarah; Steenbock, Torben; Harms, Reentje; Herrmann, Carmen
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.1826 ± 0.0001 Å
• b: 10.4231 ± 0.0002 Å
• c: 11.7182 ± 0.0002 Å
• α: 90°
• β: 104.37°
• γ: 90°
• Cell volume: 968.15 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No