Information card for entry 7704842

Structure parameters

• Formula: C26 H32 Cl6 Ni P2
• Calculated formula: C26 H32 Cl6 Ni P2
• SMILES: [Ni]1(Cl)(Cl)[P](c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(C(C)C)C(C)C.ClCCl.ClCCl
• 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: 8.43393 ± 0.00015 Å
• b: 10.5673 ± 0.0002 Å
• c: 17.8435 ± 0.0004 Å
• α: 83.8079 ± 0.0017°
• β: 86.3096 ± 0.0016°
• γ: 73.1764 ± 0.0018°
• Cell volume: 1512.42 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No