Information card for entry 7704843

Structure parameters

• Formula: C44 H54 Cl2 Cu2 N2 P4
• Calculated formula: C44 H54 Cl2 Cu2 N2 P4
• 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: 9.6486 ± 0.0003 Å
• b: 10.1503 ± 0.0003 Å
• c: 13.6583 ± 0.0005 Å
• α: 75.136 ± 0.003°
• β: 73.244 ± 0.003°
• γ: 62.259 ± 0.003°
• Cell volume: 1121.76 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0226
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No