Information card for entry 1519149

Structure parameters

• Formula: C45.5 H46 Cl2 Fe2 O3 P2 Pd
• Calculated formula: C45.5 H46 Cl2 Fe2 O3 P2 Pd
• Title of publication: C45.5H46Cl2Fe2O3P2Pd
• Authors of publication: Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1994
• Pages of publication: 1194
• a: 9.697 ± 0.003 Å
• b: 10.0628 ± 0.0013 Å
• c: 13.213 ± 0.002 Å
• α: 105.157 ± 0.014°
• β: 97.17 ± 0.02°
• γ: 112.543 ± 0.009°
• Cell volume: 1112.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No