Information card for entry 7121175

Structure parameters

• Formula: C30 H32 B Bi Mo N6 O2
• Calculated formula: C30 H32 B Bi Mo N6 O2
• SMILES: [Bi](c1ccccc1)(C#[Mo]12([n]3n(c(cc3C)C)[BH](n3c(cc([n]23)C)C)n2c(cc([n]12)C)C)(C#[O])C#[O])c1ccccc1
• Title of publication: A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh₂)(CO)₂(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 2126 - 2129
• a: 10.231 ± 0.0003 Å
• b: 14.2033 ± 0.0004 Å
• c: 10.5668 ± 0.0004 Å
• α: 90°
• β: 90.271 ± 0.003°
• γ: 90°
• Cell volume: 1535.49 ± 0.09 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No