Information card for entry 7704840

Structure parameters

• Formula: C22 H27 Cl2 N Ni P2
• Calculated formula: C22 H27 Cl2 N Ni P2
• SMILES: [Ni]1(Cl)(Cl)[P](n2c([P]1(c1ccccc1)c1ccccc1)ccc2)(C(C)C)C(C)C
• Title of publication: Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.
• Authors of publication: Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 29
• Pages of publication: 9957 - 9960
• a: 9.7449 ± 0.0002 Å
• b: 13.8069 ± 0.0004 Å
• c: 16.946 ± 0.0004 Å
• α: 90°
• β: 95.441 ± 0.002°
• γ: 90°
• Cell volume: 2269.76 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No