Information card for entry 4323814

Structure parameters

• Formula: C36 H38 Cl3 N2 O5 P Pd
• Calculated formula: C36 H36 Cl2.98 N2 O5 P Pd
• Title of publication: Synthesis and Characterization of {Pd(dmba)(py)[OC(CH3)C(H)PPh3]}(ClO4).CH2Cl2. Unusual O-Coordination of the (Acetylmethylene)triphenylphosphorane Ligand to a Soft Metal Center
• Authors of publication: Larry R. Falvello; Susana Fernández; Rafael Navarro; Esteban P. Urriolabeitia
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3064 - 3066
• a: 11.1353 ± 0.0005 Å
• b: 12.772 ± 0.0008 Å
• c: 13.5235 ± 0.0008 Å
• α: 75.103 ± 0.005°
• β: 81.255 ± 0.004°
• γ: 85.308 ± 0.003°
• Cell volume: 1835.22 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No