Information card for entry 7131503

Structure parameters

• Formula: C74 H90 N8 O4 P2
• Calculated formula: C58 H58 N8 P2
• SMILES: P1(n2c3/C=N/c4c(/N=C/c5n6P(n7c(/C=N/c8c(/N=C/c9n1c(C(c2cc3)(CC)CC)cc9)cc(c(c8)C)C)ccc7C(c6cc5)(CC)CC)c1ccccc1)cc(c(c4)C)C)c1ccccc1
• Title of publication: Coinage metal complexes of multidentate Pacman phosphane ligands.
• Authors of publication: Ohms, Leon; Eickhoff, Liesa; Kramer, Pascal; Villinger, Alexander; Bresien, Jonas; Schulz, Axel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 35
• Pages of publication: 5245 - 5248
• a: 14.3958 ± 0.0008 Å
• b: 14.8111 ± 0.0008 Å
• c: 18.1114 ± 0.001 Å
• α: 75.619 ± 0.002°
• β: 89.545 ± 0.002°
• γ: 65.078 ± 0.002°
• Cell volume: 3371.7 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No