Information card for entry 7042138

Structure parameters

• Formula: C20 H23 As Fe N2 O4
• Calculated formula: C20 H23 As Fe N2 O4
• SMILES: [As]12([Fe](C#[O])(C#[O])(C#[O])C#[O])[N](=Cc3c1c(C=[N]2C(C)(C)C)ccc3)C(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: 13.9922 ± 0.0004 Å
• b: 16.286 ± 0.0002 Å
• c: 9.5112 ± 0.0003 Å
• α: 90°
• β: 102.863 ± 0.005°
• γ: 90°
• Cell volume: 2112.99 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No