Information card for entry 7105448

Structure parameters

• Formula: C40 H73 Fe K O8 P2
• Calculated formula: C40 H73 Fe K O8 P2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Fe]1672345[C]2(C(C)(C)C)=[P]6[C]1(C(C)(C)C)=[P]72)C)C)C)C.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456([O]1CCCC1)[O]1CCCC1
• Title of publication: A reactive iron napthalene complex provides convenient access to the Cp*Fe(-) synthon (Cp*=C(5)Me(5)).
• Authors of publication: Wolf, Robert; Schnöckelborg, Eva-Maria
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2832 - 2834
• a: 16.1729 ± 0.0006 Å
• b: 17.1904 ± 0.0006 Å
• c: 32.8716 ± 0.0011 Å
• α: 90°
• β: 94.549 ± 0.001°
• γ: 90°
• Cell volume: 9110.1 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No