Information card for entry 7042135

Structure parameters

• Formula: C24.5 H27 Bi N2 O5 W
• Calculated formula: C24.5 H27 Bi N2 O5 W
• SMILES: [Bi]12([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[N](C(C)(C)C)=Cc3c2c(ccc3)C=[N]1C(C)(C)C.c1cccc(c1)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: 19.4793 ± 0.0016 Å
• b: 19.4789 ± 0.0013 Å
• c: 13.5431 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5138.7 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No