Information card for entry 7713929

Structure parameters

• Formula: C46 H48 B Br Cl2 N7 O2 P Pt W
• Calculated formula: C46 H48 B Br Cl2 N7 O2 P Pt W
• SMILES: [Pt](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(C#[O])C#[O])C#[N]c1c(C)cccc1C.ClCCl
• Title of publication: Isonitrile μ2-Carbido Complexes
• Authors of publication: Hill, Anthony; Burt, Liam K.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.4191 ± 0.0002 Å
• b: 15.8501 ± 0.0004 Å
• c: 16.1962 ± 0.0004 Å
• α: 88.182 ± 0.002°
• β: 77.516 ± 0.002°
• γ: 82.34 ± 0.002°
• Cell volume: 2339.74 ± 0.1 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No