Information card for entry 1519600

Structure parameters

• Formula: C30 H52 Fe P2
• Calculated formula: C30 H52 Fe P2
• SMILES: [Fe]12345678([c]9([c]2([c]6([c]4([c]19C)C)C)C)P(C(C)C)C(C)C)[c]1([c]8([c]7([c]5([c]31C)C)C)C)P(C(C)C)C(C)C
• Title of publication: C30H52FeP2
• 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: 920
• a: 24.578 ± 0.005 Å
• b: 9.333 ± 0.0019 Å
• c: 15.288 ± 0.003 Å
• α: 90°
• β: 123.25 ± 0.03°
• γ: 90°
• Cell volume: 2932.7 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No