Information card for entry 1517128

Structure parameters

• Formula: C10 H10 Br2 V
• Calculated formula: C10 H10 Br2 V
• SMILES: Br[V]12345678(Br)([cH]9[cH]4[cH]7[cH]6[cH]89)[cH]4[cH]2[cH]1[cH]5[cH]34
• Title of publication: Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity
• Authors of publication: Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 402
• Pages of publication: 109 - 115
• a: 6.888 ± 0.0003 Å
• b: 12.1511 ± 0.0008 Å
• c: 12.551 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1050.48 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No