Information card for entry 7703871

Structure parameters

• Formula: C34 H18 Br6 Mo N6 O4 P2
• Calculated formula: C34 H18 Br6 Mo N6 O4 P2
• 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: 10.7277 ± 0.0006 Å
• b: 11.7959 ± 0.0005 Å
• c: 19.1179 ± 0.0007 Å
• α: 79.702 ± 0.003°
• β: 84.994 ± 0.004°
• γ: 65.607 ± 0.005°
• Cell volume: 2167.54 ± 0.19 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: 0.0788
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No