Information card for entry 7026541

Structure parameters

• Formula: C52 H66 N4 P2 V2
• Calculated formula: C52 H66 N4 P2 V2
• SMILES: [V]12345([P](C)(C)C)(N=N[V]6789%10([P](C)(C)C)([cH]%11[cH]6[cH]7[cH]8[c]9%11CCN(C)C)C(=C%10c6ccccc6)c6ccccc6)([cH]6[cH]1[cH]2[cH]3[c]46CCN(C)C)C(=C5c1ccccc1)c1ccccc1
• Title of publication: Synthesis and structure of an aminoethyl-functionalized cyclopentadienyl vanadium(I) dinitrogen complex.
• Authors of publication: Liu, Guohua; Liang, Xiaohui; Meetsma, Auke; Hessen, Bart
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7891 - 7893
• a: 12.182 ± 0.002 Å
• b: 14.323 ± 0.003 Å
• c: 14.344 ± 0.003 Å
• α: 79.989 ± 0.003°
• β: 83.952 ± 0.003°
• γ: 88.051 ± 0.003°
• Cell volume: 2450.6 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No