Information card for entry 7044496

Structure parameters

• Formula: C30 H24 V2
• Calculated formula: C30 H24 V2
• SMILES: c1(cccc2c1c(ccc2)[c]12[cH]3[cH]4[cH]5[V]6789134([cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)[c]12[cH]3[cH]4[cH]5[V]6789134([cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61
• 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: 18.4035 ± 0.0004 Å
• b: 10.1646 ± 0.0002 Å
• c: 11.8559 ± 0.0003 Å
• α: 90°
• β: 90.215 ± 0.001°
• γ: 90°
• Cell volume: 2217.8 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No