Information card for entry 7109643

Structure parameters

• Formula: C37 H64 B2 Fe N O3 P Pt Si2
• Calculated formula: C37 H64 B2 Fe N O3 P Pt Si2
• SMILES: [Pt]12([Fe](C#[O])(C#[O])(C#[O])(B1c1c(c(cc(c1C)C)C)C)B2N([Si](C)(C)C)[Si](C)(C)C)[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: 21.75 ± 0.016 Å
• b: 12.337 ± 0.009 Å
• c: 15.479 ± 0.012 Å
• α: 90°
• β: 94.824 ± 0.015°
• γ: 90°
• Cell volume: 4139 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No