Information card for entry 7005771

Structure parameters

• Formula: C66 H106 Bi2 Br4 N4 O4
• Calculated formula: C66 H106 Bi2 Br4 N4 O4
• SMILES: c1(c(C(C)C)cccc1C(C)C)N1[Bi]([N](=C1)c1c(cccc1C(C)C)C(C)C)(Br)Br.O1CCCC1.O(CC)CC
• 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: 12.0078 ± 0.0006 Å
• b: 12.9849 ± 0.0012 Å
• c: 13.8084 ± 0.0012 Å
• α: 64.962 ± 0.003°
• β: 69.1 ± 0.005°
• γ: 73.2 ± 0.005°
• Cell volume: 1797.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0868
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No