Information card for entry 7121177

Structure parameters

• Formula: C30 H32 As B N6 O2 W
• Calculated formula: C30 H32 As B N6 O2 W
• 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: 10.0885 ± 0.0002 Å
• b: 31.7494 ± 0.0005 Å
• c: 19.6156 ± 0.0003 Å
• α: 90°
• β: 99.29 ± 0.002°
• γ: 90°
• Cell volume: 6200.54 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No