Information card for entry 4304995

Structure parameters

• Formula: C33 H48 Cl Fe N P2
• Calculated formula: C33 H48 Cl Fe N P2
• SMILES: [Fe]12(Cl)[P](c3cc(ccc3N1c1ccc(cc1[P]2(C(C)C)C(C)C)C)C)(C(C)C)C(C)C.c1ccccc1C
• Title of publication: P=N Bond Formation via Incomplete N-Atom Transfer from a Ferrous Amide Precursor
• Authors of publication: Debashis Adhikari; Falguni Basuli; Hongjun Fan; John C. Huffman; Maren Pink; Daniel J. Mindiola
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4439 - 4441
• a: 7.5931 ± 0.0004 Å
• b: 14.3626 ± 0.0008 Å
• c: 15.8006 ± 0.0008 Å
• α: 92.098 ± 0.001°
• β: 102.08 ± 0.001°
• γ: 103.493 ± 0.001°
• Cell volume: 1631.87 ± 0.15 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No