Information card for entry 4332184

Structure parameters

• Formula: C32 H28 N2 Ni O4 S8
• Calculated formula: C32 H28 N2 Ni O4 S8
• SMILES: CC1=CC(C)=[O][Ni]2(O1)([n]1ccc(cc1)C1=CSC(S1)=C1SC=CS1)([n]1ccc(cc1)C1=CSC(S1)=C1SC=CS1)[O]=C(C)C=C(C)O2
• Title of publication: Preparation and Crystal Structure of Dual-Functional Precursor Complex Bis(acetylacetonato)nickel(II) with 4-Pyridyltetrathiafulvalene
• Authors of publication: Wang, Lei; Zhang, Bin; Zhang, Jingping
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6860 - 6863
• a: 7.322 ± 0.0005 Å
• b: 8.5055 ± 0.0005 Å
• c: 28.6082 ± 0.0018 Å
• α: 90°
• β: 97.204 ± 0.001°
• γ: 90°
• Cell volume: 1767.58 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No