Information card for entry 4317470

Structure parameters

• Chemical name: Tetraphenylarsonium Irontricyanidetricarbonyl
• Formula: C30 H22 As Fe N3 O4
• Calculated formula: C30 H22 As Fe N3 O4
• SMILES: [As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Fe](C#N)(C#N)(C#[O])(C#N)(C#[O])C#[O].O
• Title of publication: fac-[FeII(CN)3(CO)3]- and cis-[FeII(CN)4(CO)2]2-: New Members of the Class of [FeII(CN)x(CO)y] Compounds
• Authors of publication: Jianfeng Jiang; Stephen A. Koch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 158 - 160
• a: 9.1789 ± 0.001 Å
• b: 12.6561 ± 0.0014 Å
• c: 13.9666 ± 0.0015 Å
• α: 116.693 ± 0.002°
• β: 102.184 ± 0.002°
• γ: 90.213 ± 0.002°
• Cell volume: 1407.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No