Information card for entry 4323100

Structure parameters

• Formula: C90 H112 B2 Fe2 N4 O16 P4
• Calculated formula: C90 H112 B2 Fe2 N4 O16 P4
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C([Fe](N=Nc1ccc(cc1C)c1cc(c(cc1)N=N[Fe](C#[O])(C#[O])([P](OCC)(OCC)OCC)[P](OCC)(OCC)OCC)C)([P](OCC)(OCC)OCC)([P](OCC)(OCC)OCC)C#[O])#[O].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactivity of Hydrides FeH2(CO)2P2 (P = Phosphites) with Aryldiazonium Cations: Preparation, Characterization, X-ray Crystal Structure, and Electrochemical Studies of Mono- and Binuclear Aryldiazenido Complexes
• Authors of publication: Gabriele Albertin; Stefano Antoniutti; Alessia Bacchi; Davide Barbera; Emilio Bordignon; Giancarlo Pelizzi; Paolo Ugo
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5602 - 5610
• a: 15.008 ± 0.004 Å
• b: 17.094 ± 0.005 Å
• c: 10.553 ± 0.003 Å
• α: 99.56 ± 0.01°
• β: 102.8 ± 0.01°
• γ: 65.3 ± 0.01°
• Cell volume: 2390.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2474
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections: 0.3003
• Weighted residual factors for significantly intense reflections: 0.1893
• Goodness-of-fit parameter for all reflections: 0.875
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No