Information card for entry 1519599

Structure parameters

• Formula: C29 H49 Cl5 Fe P2 Pd
• Calculated formula: C29 H49 Cl5 Fe P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](C[c]23[c]4([Fe]56789%102([cH]4[cH]8[cH]35)[cH]2[cH]6[cH]9[cH]%10[cH]72)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.ClC(Cl)Cl
• Title of publication: C29H49Cl5FeP2Pd
• Authors of publication: Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 919
• a: 11.5254 ± 0.0009 Å
• b: 14.3958 ± 0.0011 Å
• c: 20.4783 ± 0.0012 Å
• α: 90°
• β: 95.396 ± 0.006°
• γ: 90°
• Cell volume: 3382.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No