Information card for entry 1519166

Structure parameters

• Formula: C34 H28 Fe P2
• Calculated formula: C34 H28 Fe P2
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[c]49P(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[c]81P(c1ccccc1)c1ccccc1
• Title of publication: C34H28FeP2
• 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: 760
• a: 8.6164 ± 0.0004 Å
• b: 18.419 ± 0.002 Å
• c: 8.7071 ± 0.0007 Å
• α: 90°
• β: 101.283 ± 0.011°
• γ: 90°
• Cell volume: 1355.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1176
• Weighted residual factors for significantly intense reflections: 0.0992
• Goodness-of-fit parameter for all reflections: 0.909
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No