Information card for entry 4331104

Structure parameters

• Formula: C30 H26 Cl N Ni P2
• Calculated formula: C30 H26 Cl N Ni P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)Cc2ccc3C[P](c4ccccc4)(c4ccccc4)[Ni]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: 14.423 ± 0.003 Å
• b: 16.338 ± 0.003 Å
• c: 11.552 ± 0.002 Å
• α: 90°
• β: 107.125 ± 0.006°
• γ: 90°
• Cell volume: 2601.5 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No