Information card for entry 1519603

Structure parameters

• Formula: C30.5 H53 Cl3 Fe P2 Pd
• Calculated formula: C30.5 H53 Cl3 Fe P2 Pd
• SMILES: [c]123[c]4([c]5([c]6([c]1(C)[Fe]17893456[c]3([c]1([c]7([c]8([c]93C)C)C)C)[P](C(C)C)(C(C)C)[Pd]([P]2(C(C)C)C(C)C)(Cl)Cl)C)C)C.C(Cl)Cl
• Title of publication: C30.5H53Cl3FeP2Pd
• 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: 565
• a: 19.4376 ± 0.0015 Å
• b: 11.1178 ± 0.0011 Å
• c: 30.276 ± 0.003 Å
• α: 90°
• β: 91.579 ± 0.008°
• γ: 90°
• Cell volume: 6540.3 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No