Information card for entry 7206157

Structure parameters

• Common name: bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)
• Chemical name: bis(acetonitrile cis-dioxo(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato- O, N,O')molybdenum(VI)) hexamolybdate acetonitrile solvate (1/4)
• Formula: C40 H42 Mo8 N12 O29
• Calculated formula: C40 H42 Mo8 N12 O29
• SMILES: C1(=N[N]2=Cc3c(O[Mo]2([N]#CC)(O1)(=O)=O)cc(OC)cc3)c1cc[nH+]cc1.N#CC.CC#N.[Mo]1234(O[Mo]567([O]89%102[Mo]2(O[Mo]%11%10(O3)(=O)O[Mo]8(O1)(O6)(O[Mo]9(O5)(O%11)(=O)O2)=O)(O4)(=O)O7)=O)=O.C1(=N[N]2=Cc3c(O[Mo]2([N]#CC)(O1)(=O)=O)cc(OC)cc3)c1cc[nH+]cc1.N#CC.N#CC
• Title of publication: Hybrid organic‒inorganic compounds based on the Lindqvist polyoxomolybdate and dioxomolybdenum(vi) complexes
• Authors of publication: Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Pisk, Jana
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4382
• a: 11.0325 ± 0.0003 Å
• b: 11.0829 ± 0.0004 Å
• c: 14.1157 ± 0.0005 Å
• α: 100.866 ± 0.003°
• β: 105.795 ± 0.003°
• γ: 112.231 ± 0.003°
• Cell volume: 1452.68 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0148
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No