Information card for entry 4331102

Structure parameters

• Formula: C30 H26 Cl N P2 Pd
• Calculated formula: C30 H26 Cl N P2 Pd
• SMILES: c1(ccccc1)[P]1(c2ccccc2)Cc2ccc3C[P](c4ccccc4)(c4ccccc4)[Pd]1(n23)Cl
• Title of publication: Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand
• Authors of publication: Shanish Kumar; Ganesan Mani; Sukanta Mondal; Pratim Kumar Chattaraj
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12527 - 12539
• a: 14.438 ± 0.003 Å
• b: 16.355 ± 0.003 Å
• c: 11.664 ± 0.002 Å
• α: 90°
• β: 107.914 ± 0.007°
• γ: 90°
• Cell volume: 2620.7 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No