Information card for entry 1519194

Structure parameters

• Formula: C27 H47 Cl4 Fe N P2 Pd
• Calculated formula: C27 H47 Cl4 Fe N P2 Pd
• SMILES: [Pd]1([P]([c]23[Fe]456789%10([cH]%11[cH]9[cH]4[c]7([P]1(C(C)C)C(C)C)[c]%10%11[C@H](N(C)C)C)[cH]([cH]6[cH]25)[cH]38)(C(C)C)C(C)C)(Cl)Cl.ClCCl
• Title of publication: C27H47Cl4FeNP2Pd
• Authors of publication: Butler, Ian R.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1998
• Pages of publication: 745
• a: 13.543 ± 0.0005 Å
• b: 14.991 ± 0.0009 Å
• c: 16.009 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3250.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No