Information card for entry 4329090

Structure parameters

• Formula: C65 H90 B N6 Ni2 O4 S2 V
• Calculated formula: C65.002 H90 B N6 Ni2 O4 S2 V
• Title of publication: Synthesis, Structure, and Reactivity of Dinuclear Nickel Amino-Thiophenolate Complexes Bearing Bridging VO2(OH)2- and VO2(OR)2- Coligands
• Authors of publication: Vasile Lozan; Jochen Lach; Berthold Kersting
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5213 - 5223
• a: 15.915 ± 0.003 Å
• b: 16.087 ± 0.003 Å
• c: 16.577 ± 0.003 Å
• α: 64.64 ± 0.03°
• β: 72.34 ± 0.03°
• γ: 66.26 ± 0.03°
• Cell volume: 3466.3 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No