Information card for entry 7032072

Structure parameters

• Formula: C84 H94 B4 F16 Mo4 N10 O8 P4
• Calculated formula: C84 H94 B4 F16 Mo4 N10 O8 P4
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[N](#CCC)[Mo]123[O]=C4O[Mo]3([N]#CCC)([O]=C(C3(CCC3)C3=[O][Mo]56([N]#CCC)OC(C74CCC7)=[O][Mo]6([N]#CCC)(O3)[P](N[P]5(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)O1)[P](c1ccccc1)(N[P]2(c1ccccc1)c1ccccc1)c1ccccc1.N#CCC.N#CCC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CCC.N#CCC
• Title of publication: Loop shaped dicarboxylate-bridged dimolybdenum(ii) bisphosphine compounds - a rational synthesis.
• Authors of publication: Höhne, Dominik; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15367 - 15374
• a: 18.183 ± 0.002 Å
• b: 15.535 ± 0.002 Å
• c: 18.873 ± 0.002 Å
• α: 90°
• β: 116.427 ± 0.003°
• γ: 90°
• Cell volume: 4774 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No