Information card for entry 7005772

Structure parameters

• Formula: C42 H54 Bi2 Br4 N4 O2
• Calculated formula: C42 H54 Bi2 Br4 N4 O2
• SMILES: C1=[N]([Bi]2(N1c1c(C)cccc1C)(Br)[Br][Bi]1(N(c3c(cccc3C)C)C=[N]1c1c(cccc1C)C)(Br)[Br]2)c1c(cccc1C)C.O1CCCC1.O1CCCC1
• Title of publication: Ligand effects in the syntheses and structures of novel heteroleptic and homoleptic bismuth(III) formamidinate complexes.
• Authors of publication: Brym, Markus; Forsyth, Craig M.; Jones, Cameron; Junk, Peter C.; Rose, Richard P.; Stasch, Andreas; Turner, David R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3282 - 3288
• a: 14.599 ± 0.003 Å
• b: 10.93 ± 0.002 Å
• c: 14.697 ± 0.003 Å
• α: 90°
• β: 93.6 ± 0.03°
• γ: 90°
• Cell volume: 2340.5 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No