Information card for entry 7127010

Structure parameters

• Common name: 17330; 1, LSnFeN2
• Formula: C43 H70 Fe N6 O P3 Sn
• Calculated formula: C43 H70 Fe N6 O P3 Sn
• SMILES: [Sn]1234[Fe]56([P](CN1c1c([N]4(c4ccccc4N2C[P]5(C(C)C)C(C)C)c2ccccc2N3C[P]6(C(C)C)C(C)C)cccc1)(C(C)C)C(C)C)[N]#N.O(CC)CC
• Title of publication: Bimetallic iron-tin catalyst for N₂ to NH₃ and a silyldiazenido model intermediate.
• Authors of publication: Dorantes, Michael J.; Moore, James T.; Bill, Eckhard; Mienert, Bernd; Lu, Connie C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 75
• Pages of publication: 11030 - 11033
• a: 11.8994 ± 0.0007 Å
• b: 16.0639 ± 0.0009 Å
• c: 24.3083 ± 0.0014 Å
• α: 90°
• β: 104.102 ± 0.002°
• γ: 90°
• Cell volume: 4506.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No