Information card for entry 7005774

Structure parameters

• Formula: C104 H86 Bi2 Br2 N8 O
• Calculated formula: C104 H86 Bi2 Br2 N8 O
• SMILES: [Bi]12(Br)([N](c5ccccc5c5ccccc5)=CN1c1ccccc1c1ccccc1)[N](c1ccccc1c1ccccc1)=CN2c1ccccc1c1ccccc1.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: 13.8771 ± 0.0002 Å
• b: 18.1526 ± 0.0003 Å
• c: 19.576 ± 0.0003 Å
• α: 84.116 ± 0.001°
• β: 70.507 ± 0.001°
• γ: 67.968 ± 0.001°
• Cell volume: 4307.73 ± 0.12 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: 0.0674
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No