Information card for entry 1519542

Structure parameters

• Formula: C22 H36 Cl2 Fe P2 Pd
• Calculated formula: C22 H36 Cl2 Fe P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[c]4([Fe]56789%102([cH]2[cH]8[cH]%10[cH]9[cH]72)[cH]3[cH]6[cH]45)[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: C22H36Cl2FeP2Pd
• Authors of publication: Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 915
• a: 10.0317 ± 0.0005 Å
• b: 16.1909 ± 0.001 Å
• c: 15.0201 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2439.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No