Information card for entry 7710829

Structure parameters

• Formula: C37 H37 B Cl N6 O3 P Pt W
• Calculated formula: C37 H37 B Cl N6 O3 P Pt W
• SMILES: [Pt]1(C(=[W]231([n]1n(c(C)cc1C)[BH](n1[n]2c(C)cc1C)n1[n]3c(C)cc1C)(C#[O])C#[O])Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Heterobimetallic μ2-halocarbyne complexes
• Authors of publication: Burt, Liam K.; Dewhurst, Rian D.; Hill, Anthony F.; Kong, Richard Y.; Nahon, Emily E.; Onn, Chee S.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.0798 ± 0.0001 Å
• b: 16.5138 ± 0.0001 Å
• c: 15.4322 ± 0.0001 Å
• α: 90°
• β: 93.404 ± 0.001°
• γ: 90°
• Cell volume: 3836.22 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No