Information card for entry 4333014

Structure parameters

• Formula: C33 H33 Cl Fe N O4 P Pd
• Calculated formula: C33 H33 Cl Fe N O4 P Pd
• SMILES: [Pd]123([P]([c]45[c]6([Fe]789%10%11%124([cH]5[cH]7[cH]68)[cH]4[cH]%12[cH]%11[cH]%10[cH]94)[CH]1=[CH2]2)(c1ccccc1)c1ccccc1)[N](Cc1c3cccc1)(C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines
• Authors of publication: Štěpnička, Petr; Císařová, Ivana
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8785 - 8798
• a: 9.0782 ± 0.0002 Å
• b: 14.3355 ± 0.0002 Å
• c: 12.4391 ± 0.0002 Å
• α: 90°
• β: 105.508 ± 0.001°
• γ: 90°
• Cell volume: 1559.89 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No