Information card for entry 7703593

Structure parameters

• Formula: C35 H36 Ni O3 P2 S2
• Calculated formula: C35 H36 Ni O3 P2 S2
• SMILES: C1C[P](c2ccccc2)(c2ccccc2)[Ni]2(SC(=C3C(=O)CC(CC3=O)(C)C)S2)[P]1(c1ccccc1)c1ccccc1.O
• Title of publication: New heteroleptic [Ni(ii) 1,1-dithiolate-phosphine] complexes: synthesis, characterization and electrocatalytic oxygen evolution studies.
• Authors of publication: Anamika, ?; Yadav, Dharmendra Kumar; Manar, Krishna K.; Yadav, Chote Lal; Kumar, Kamlesh; Ganesan, Vellaichamy; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 3592 - 3605
• a: 19.7845 ± 0.0009 Å
• b: 15.2433 ± 0.0006 Å
• c: 22.34 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6737.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No