Information card for entry 4323338

Structure parameters

• Formula: C32 H37 Cl N2 O7 P2 Pd
• Calculated formula: C32 H37 Cl0.99 N2 O6.96 P2 Pd
• Title of publication: Nitrogen- vs Carbon-Coordination of the α-Cyano-Stabilized Phosphorus Ylide Ph3PC(H)CN. X-ray Crystal Structure of {Pd(dmba)[P(OMe)3][N\τbCC(H)PPh3]}(ClO4)
• Authors of publication: Larry R. Falvello; Susana Fernández; Rafael Navarro; Esteban P. Urriolabeitia
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1136 - 1142
• a: 12.569 ± 0.001 Å
• b: 17.857 ± 0.002 Å
• c: 14.729 ± 0.002 Å
• α: 90°
• β: 92.56 ± 0.01°
• γ: 90°
• Cell volume: 3302.5 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.0961
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No