Information card for entry 7701670

Structure parameters

• Formula: C39 H38 B Cl3 Ge N6 O2 W
• Calculated formula: C39 H38 B Cl3 Ge N6 O2 W
• Title of publication: A [C₁ + C₂] route to propargylidyne complexes.
• Authors of publication: Hill, Anthony F.; Manzano, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 6596 - 6610
• a: 15.9977 ± 0.0002 Å
• b: 12.8272 ± 0.0001 Å
• c: 19.7393 ± 0.0002 Å
• α: 90°
• β: 95.38 ± 0.001°
• γ: 90°
• Cell volume: 4032.77 ± 0.07 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No