Information card for entry 7704841

Structure parameters

• Formula: C29 H34 Cl N Ni P2
• Calculated formula: C29 H34 Cl N Ni P2
• 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: 17.7452 ± 0.0006 Å
• b: 10.5763 ± 0.0004 Å
• c: 29.5471 ± 0.0011 Å
• α: 90°
• β: 96.599 ± 0.003°
• γ: 90°
• Cell volume: 5508.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1103
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No