Information card for entry 4311265

Structure parameters

• Chemical name: Lead(II) tetrakis(4-methylimidazolyl)borate nitrate
• Formula: C16 H20 B N9 O3 Pb
• Calculated formula: C16 H20 B N8 Pb
• SMILES: [B](n1cnc(c1)C)(n1cnc(c1)C)(n1cnc(c1)C)n1cnc(c1)C.[Pb+2]
• Title of publication: Lead and Thallium Tetrakis(imidazolyl)borates: Modifying Structure by Varying Metal and Anion
• Authors of publication: Barton H. Hamilton; Christopher J. Ziegler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4272 - 4277
• a: 11.8787 ± 0.0008 Å
• b: 11.8787 ± 0.0008 Å
• c: 7.0539 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 995.33 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No