Information card for entry 4324020

Structure parameters

• Formula: C32 H28 N2 Ni P2 S2
• Calculated formula: C32 H28 N2 Ni P2 S2
• SMILES: [Ni]12(SC(=CS1)c1nccnc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Properties of Heterocyclic Substituted 1,2-Enedithiolates of Nickel, Palladium, and Platinum
• Authors of publication: Sharada P. Kaiwar; John K. Hsu; Louise M. Liable-Sands; Arnold L. Rheingold; Robert S. Pilato
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4234 - 4240
• a: 12.2522 ± 0.0002 Å
• b: 17.1482 ± 0.0003 Å
• c: 15.082 ± 0.0003 Å
• α: 90°
• β: 92.375 ± 0.001°
• γ: 90°
• Cell volume: 3166.05 ± 0.1 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 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: 0.1058
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.1542
• Weighted residual factors for significantly intense reflections: 0.1184
• Goodness-of-fit parameter for all reflections: 0.978
• Goodness-of-fit parameter for significantly intense reflections: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No