Information card for entry 4328800

Structure parameters

• Formula: C38 H32 Br1.5 N2 P3 Pt1.5
• Calculated formula: C38 H32 Br1.5 N2 P3 Pt1.5
• Title of publication: N-Heterocyclic Phosphenium Ligands as Sterically and Electronically-Tunable Isolobal Analogues of Nitrosyls
• Authors of publication: Baofei Pan; Zhequan Xu; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4170 - 4179
• a: 18.5346 ± 0.001 Å
• b: 20.0392 ± 0.001 Å
• c: 21.4771 ± 0.0011 Å
• α: 90°
• β: 94.378 ± 0.003°
• γ: 90°
• Cell volume: 7953.7 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No