Information card for entry 4071682

Structure parameters

• Formula: C60 H48 Cl6 N4 P2 Pd2
• Calculated formula: C60 H48 Cl6 N4 P2 Pd2
• SMILES: c1ccc2[C@H]3c4cccnc4c2[n]1[Pd]([C@@H]1c2ccc[n]([Pd]3([P](c3ccccc3)(c3ccccc3)c3ccccc3)Cl)c2c2c1cccn2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Syntheses, Characterizations, and Reactivities of 4,5-Diazafluorenide Complexes of Palladium(II) and Rhodium(I)
• Authors of publication: Jiang, Huiling; Song, Datong
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3587
• a: 9.9317 ± 0.0006 Å
• b: 11.7023 ± 0.0006 Å
• c: 13.2396 ± 0.0008 Å
• α: 79.655 ± 0.003°
• β: 87.484 ± 0.003°
• γ: 65.604 ± 0.003°
• Cell volume: 1377.8 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0813
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No