Information card for entry 1519167

Structure parameters

• Formula: C35 H30 Cl4 Fe P2 Pd
• Calculated formula: C35 H28 Cl4 Fe P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[Fe]456789%10([c]%11([P]1(c1ccccc1)c1ccccc1)[cH]4[cH]5[cH]6[cH]7%11)[cH]2[cH]%10[cH]9[cH]38)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: C34H28Cl2FeP2Pd.CH2Cl2
• Authors of publication: Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1996
• Pages of publication: 761
• a: 9.77 ± 0.003 Å
• b: 18.093 ± 0.005 Å
• c: 19.001 ± 0.003 Å
• α: 90°
• β: 102.61 ± 0.02°
• γ: 90°
• Cell volume: 3277.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.1056
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No