Information card for entry 7025943

Structure parameters

• Formula: C36 H62 Cl2 N2 O4 V2
• Calculated formula: C36 H62 Cl2 N2 O4 V2
• SMILES: c1(C(C)C)c(c(ccc1)C(C)C)N=[V]1(Cl)([O]([V](=Nc2c(cccc2C(C)C)C(C)C)([O]1CCC)(OCCC)Cl)CCC)OCCC
• Title of publication: Oxo- and imido-alkoxide vanadium complexes as precatalysts for the guanylation of aromatic amines.
• Authors of publication: Romero-Fernández, Javier; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Alonso-Moreno, Carlos; Rodríguez, Ana M; López-Solera, Isabel; Otero, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 28
• Pages of publication: 6419 - 6425
• a: 11.8392 ± 0.0019 Å
• b: 12.0336 ± 0.0019 Å
• c: 14.851 ± 0.002 Å
• α: 90°
• β: 97.638 ± 0.003°
• γ: 90°
• Cell volume: 2097 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No