Information card for entry 7703591

Structure parameters

• Formula: C39 H36 Ni O3 P2 S3
• Calculated formula: C39 H36 Ni O3 P2 S3
• 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: 10.9263 ± 0.001 Å
• b: 18.2168 ± 0.0015 Å
• c: 18.4634 ± 0.0013 Å
• α: 90°
• β: 98.987 ± 0.006°
• γ: 90°
• Cell volume: 3629.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1788
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No