Information card for entry 7703169

Structure parameters

• Formula: C56 H46 Cl N3 Ni P2
• Calculated formula: C56 H46 Cl N3 Ni P2
• Title of publication: New 1,2,3-triazole based bis- and trisphosphine ligands: synthesis, transition metal chemistry and catalytic studies.
• Authors of publication: Radhakrishna, Latchupatula; Kunchur, Harish S.; Namdeo, Pavan K.; Butcher, Ray J.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 3434 - 3449
• a: 10.05434 ± 0.00014 Å
• b: 11.14458 ± 0.00016 Å
• c: 22.0783 ± 0.0003 Å
• α: 87.1739 ± 0.0012°
• β: 81.6515 ± 0.0012°
• γ: 71.6855 ± 0.0013°
• Cell volume: 2323.69 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No