Information card for entry 7704506

Structure parameters

• Formula: C55 H73 B Mo N3 Na O16 P6
• Calculated formula: C55 H73 B Mo N3 Na O16 P6
• SMILES: [Mo]12([p]3c(O[B](Oc4[p]2pc2n4cccc2)(Oc2[p]1pc1n2cccc1)c1ccccc1)n1c(p3)cccc1)(C#[O])(C#[O])C#[O].[Na]12345([O]6CC[O]2CC[O]4CC[O]3CC[O]5CC[O]1CC6)([O]1CCCC1)[O]1CCCC1.O1CCCC1.C1OCCC1
• Title of publication: 1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.
• Authors of publication: Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8201 - 8208
• a: 12.9566 ± 0.0004 Å
• b: 29.5914 ± 0.0008 Å
• c: 16.6475 ± 0.0005 Å
• α: 90°
• β: 90.824 ± 0.003°
• γ: 90°
• Cell volume: 6382.1 ± 0.3 ų
• Cell temperature: 107 ± 6 K
• Ambient diffraction temperature: 107 ± 6 K
• Number of distinct elements: 8
• 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: 0.1108
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No