Information card for entry 7000225

Structure parameters

• Formula: C18 H29 Bi I2 N4
• Calculated formula: C18 H29 Bi I2 N4
• SMILES: c12c3C[N]4(CCN(CC4)C)[Bi]1(I)(I)[N]1(Cc2ccc3)CCN(CC1)C
• Title of publication: Monoorganobismuth(iii) dihalides containing the new pincer 2,6-{MeN(CH2CH2)2NCH2}2C6H3 ligand: solution NMR, vibrational and single-crystal X-ray studies
• Authors of publication: Soran, Albert; Breunig, Hans J.; Lippolis, Vito; Arca, Massimiliano; Silvestru, Cristian
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 77 - 84
• a: 17.939 ± 0.002 Å
• b: 13.7513 ± 0.0016 Å
• c: 9.4025 ± 0.0011 Å
• α: 90°
• β: 94.319 ± 0.002°
• γ: 90°
• Cell volume: 2312.9 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No