Information card for entry 7213064

Structure parameters

• Formula: C16 H20 Ni S8
• Calculated formula: C16 H20 Ni S8
• SMILES: [Ni]12(SC3=C(S1)S[C@H]1[C@H](CCCC1)S3)SC1=C(S2)S[C@H]2[C@H](CCCC2)S1
• Title of publication: Synthesis, structure and optical limiting effect of two new nickel complexes containing strongly bound geometrically fixed multi‐sulfur 1,2‐dithiolene ligands showing remarkable near‐IR absorption
• Authors of publication: Bai, Jun‐Feng; Zuo, Jing‐Lin; Tan, Wei‐Lian; Ji, Wei; Shen, Zhen; Fun, Hoong‐Kun; Chinnakali, Kandasamy; Abdul Razak, Ibrahim; You, Xiao‐Zeng; Che, Chi‐Ming
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2419
• a: 12.171 ± 0.002 Å
• b: 5.2299 ± 0.0007 Å
• c: 16.567 ± 0.002 Å
• α: 90°
• β: 107.709 ± 0.01°
• γ: 90°
• Cell volume: 1004.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0247
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for all reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No