Information card for entry 7703869

Structure parameters

• Formula: C20 H14 Cl2 N3 O4 P W
• Calculated formula: C20 H14 Cl2 N3 O4 P W
• Title of publication: An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.
• Authors of publication: Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5312 - 5322
• a: 10.5568 ± 0.0003 Å
• b: 14.7613 ± 0.0005 Å
• c: 15.457 ± 0.0004 Å
• α: 105.255 ± 0.003°
• β: 108.189 ± 0.003°
• γ: 92.397 ± 0.003°
• Cell volume: 2187.43 ± 0.13 ų
• Cell temperature: 130 ± 0.14 K
• Ambient diffraction temperature: 130 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No