Information card for entry 7025942

Structure parameters

• Formula: C28 H46 Cl2 N2 O4 V2
• Calculated formula: C28 H46 Cl2 N2 O4 V2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N=[V]1([O](C)[V](=Nc2c(cccc2C(C)C)C(C)C)([O]1C)(OC)Cl)(OC)Cl
• 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: 7.727 ± 0.004 Å
• b: 28.197 ± 0.003 Å
• c: 7.648 ± 0.004 Å
• α: 90°
• β: 97.565 ± 0.006°
• γ: 90°
• Cell volume: 1651.8 ± 1.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No