Information card for entry 7109644

Structure parameters

• Formula: C38 H63 B2 Fe N O4 P Pt Si2
• Calculated formula: C38 H63 B2 Fe N O4 P Pt Si2
• SMILES: [Pt]12([Fe](B1N([Si](C)(C)C)[Si](C)(C)C)(B2c1c(c(cc(c1C)C)C)C)(C#[O])(C#[O])C#[O])(C#[O])[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Synthesis and structure of the first heterodinuclear bis(borylene) complexes
• Authors of publication: Holger Braunschweig; Qing Ye; Alexander Damme; Krzysztof Radacki
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7593
• a: 9.4922 ± 0.0006 Å
• b: 11.7168 ± 0.0007 Å
• c: 20.703 ± 0.0013 Å
• α: 78.249 ± 0.002°
• β: 81.135 ± 0.002°
• γ: 76.416 ± 0.002°
• Cell volume: 2177.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No