Information card for entry 7226793

Structure parameters

• Formula: C68 H57 B Fe N2 P2
• Calculated formula: C68 H57 B Fe N2 P2
• SMILES: [Fe]12345([cH]6[cH]4[cH]3[cH]2[cH]16)([N]#N=C1c2ccccc2c2c1cccc2)[P](CC[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation of diazoalkane complexes of iron(ii)
• Authors of publication: Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Botter, Alessandra; Castro, Jesús; Sibilla, Francesca
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 100
• Pages of publication: 97650
• a: 12.8422 ± 0.0012 Å
• b: 13.4375 ± 0.0012 Å
• c: 17.1011 ± 0.0017 Å
• α: 84.713 ± 0.003°
• β: 87.183 ± 0.003°
• γ: 64.505 ± 0.002°
• Cell volume: 2652.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1264
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No