Information card for entry 4506574

Structure parameters

• Formula: C40 H38 Cl12 N2 O4 P2
• Calculated formula: C40 H38 Cl12 N2 O4 P2
• SMILES: c1ccccc1P(=O)(c1ccccc1)CCNC(=O)c1ccc(C(=O)NCCP(=O)(c2ccccc2)c2ccccc2)cc1.C(Cl)(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures
• Authors of publication: Nasser, Nasser; Puddephatt, Richard J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4275
• a: 8.5642 ± 0.001 Å
• b: 12.1117 ± 0.0015 Å
• c: 14.031 ± 0.002 Å
• α: 109.464 ± 0.004°
• β: 101.095 ± 0.004°
• γ: 105.262 ± 0.003°
• Cell volume: 1259.5 ± 0.3 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: 0.1382
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.229
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No