Information card for entry 7115250

Structure parameters

• Formula: C22 H32 N2 V
• Calculated formula: C22 H32 N2 V
• SMILES: [V]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C1CCN(C)CC1)[c]1([cH]5[cH]6[cH]7[cH]81)C1CCN(C)CC1
• Title of publication: Facile synthesis of amino-functionalised ferrocenes and vanadocenes
• Authors of publication: Bradley, Sam; McGowan, Patrick C.; Oughton, Karrie A.; Thornton-Pett, Mark; Walsh, Mark E.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 1
• Pages of publication: 77
• a: 7.6238 ± 0.0002 Å
• b: 10.4591 ± 0.0003 Å
• c: 13.8715 ± 0.0002 Å
• α: 102.695 ± 0.002°
• β: 98.438 ± 0.002°
• γ: 101.327 ± 0.0012°
• Cell volume: 1036.97 ± 0.05 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No