Information card for entry 7121173

Structure parameters

• Formula: C30 H32 B Bi N6 O2 W
• Calculated formula: C30 H32 B Bi N6 O2 W
• SMILES: C(#[O])[W]12(C#[O])([n]3c(cc(C)n3[BH](n3c(cc(C)[n]13)C)n1c(cc(C)[n]21)C)C)#C[Bi](c1ccccc1)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: 10.216 ± 0.0001 Å
• b: 14.1835 ± 0.0002 Å
• c: 10.6359 ± 0.0001 Å
• α: 90°
• β: 90.067 ± 0.001°
• γ: 90°
• Cell volume: 1541.13 ± 0.03 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0233
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No