Information card for entry 7015957

Structure parameters

• Formula: C24 H15 Cl12 N3 P6
• Calculated formula: C24 H15 Cl12 N3 P6
• SMILES: P(Cl)(Cl)N(P(Cl)Cl)c1ccc(c2cc(cc(c2)c2ccc(N(P(Cl)Cl)P(Cl)Cl)cc2)c2ccc(N(P(Cl)Cl)P(Cl)Cl)cc2)cc1
• Title of publication: New hexaphosphane ligands 1,3,5-C(6)H(3){p-C(6)H(4)N(PX(2))(2)}(3) [X = Cl, F, C(6)H(3)OMe(C(3)H(5))]: Synthesis, derivatization and palladium(ii) and platinum(ii) complexes.
• Authors of publication: Rao, Sowmya; Ganesamoorthy, Chelladurai; Mobin, Shaikh M.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 22
• Pages of publication: 5841 - 5843
• a: 13.162 ± 0.005 Å
• b: 18.095 ± 0.005 Å
• c: 16.316 ± 0.005 Å
• α: 90 ± 0.005°
• β: 104.265 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3766 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No