Information card for entry 7223055

Structure parameters

• Formula: C36.6 H29.2 Cl1.2 N2 Ni P2 S2
• Calculated formula: C36.6 H29.2 Cl1.2 N2 Ni P2 S2
• Title of publication: New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses
• Authors of publication: Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 47
• Pages of publication: 9175
• a: 12.0561 ± 0.0002 Å
• b: 13.4846 ± 0.0003 Å
• c: 21.0459 ± 0.0005 Å
• α: 90°
• β: 97.4474 ± 0.0009°
• γ: 90°
• Cell volume: 3392.6 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0922
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No