Information card for entry 7704513

Structure parameters

• Formula: C39 H41 Mo N3 O9 P6 Si
• Calculated formula: C39 H41 Mo N3 O9 P6 Si
• SMILES: [Mo]12([p]3c(O[Si](Oc4[p]2pc2n4cccc2)(Oc2[p]1pc1n2cccc1)c1ccccc1)n1c(p3)cccc1)(C#[O])(C#[O])C#[O].O1CCCC1.O1CCCC1.O1CCCC1
• 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: 28.4804 ± 0.001 Å
• b: 18.1858 ± 0.0006 Å
• c: 16.884 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8744.9 ± 0.5 ų
• Cell temperature: 106.48 ± 0.14 K
• Ambient diffraction temperature: 106.48 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No