Information card for entry 7042130

Structure parameters

• Formula: C20 H23 Bi Fe N2 O4
• Calculated formula: C20 H23 Bi Fe N2 O4
• SMILES: [Bi]12([Fe](C#[O])(C#[O])(C#[O])C#[O])c3c(cccc3C=[N]1C(C)(C)C)C=[N]2C(C)(C)C
• Title of publication: A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).
• Authors of publication: Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3556 - 3568
• a: 11.136 ± 0.001 Å
• b: 11.565 ± 0.001 Å
• c: 18.6181 ± 0.0013 Å
• α: 90°
• β: 112.958 ± 0.006°
• γ: 90°
• Cell volume: 2207.9 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No